From 2c234cf9798a6b52b1fc8f72c3a45e826863795e Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Tue, 4 Jul 2023 10:24:24 -0700
Subject: [PATCH 01/14] simplify code

---
 rd_filters/data/alert_collection.csv | 1252 --------------------------
 rd_filters/data/alerts.csv           | 1252 ++++++++++++++++++++++++++
 rd_filters/data/rules.json           |   42 +-
 rd_filters/rd_filters.py             |  363 ++++----
 4 files changed, 1424 insertions(+), 1485 deletions(-)
 delete mode 100644 rd_filters/data/alert_collection.csv
 create mode 100644 rd_filters/data/alerts.csv

diff --git a/rd_filters/data/alert_collection.csv b/rd_filters/data/alert_collection.csv
deleted file mode 100644
index 216c57f..0000000
--- a/rd_filters/data/alert_collection.csv
+++ /dev/null
@@ -1,1252 +0,0 @@
-rule_id,rule_set,description,smarts,rule_set_name,priority,max
-1,1,R1 Reactive alkyl halides,"[Br,Cl,I][CX4;CH,CH2]",Glaxo,8,0
-2,1,R2 Acid halides,"[S,C](=[O,S])[F,Br,Cl,I]",Glaxo,8,0
-3,1,R3 Carbazides,O=CN=[N+]=[N-],Glaxo,8,0
-4,1,R4 Sulphate esters,"COS(=O)O[C,c]",Glaxo,8,0
-5,1,R5 Sulphonates,"COS(=O)(=O)[C,c]",Glaxo,8,0
-6,1,R6 Acid anhydrides,C(=O)OC(=O),Glaxo,8,0
-7,1,R7 Peroxides,OO,Glaxo,8,0
-8,1,R8 Pentafluorophenyl esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),Glaxo,8,0
-9,1,R9 Paranitrophenyl esters,C(=O)Oc1ccc(N(=O)~[OX1])cc1,Glaxo,8,0
-10,1,R10 esters of HOBT,C(=O)Onnn,Glaxo,8,0
-11,1,R11 Isocyanates & Isothiocyanates,"N=C=[S,O]",Glaxo,8,0
-12,1,R12 Triflates,OS(=O)(=O)C(F)(F)F,Glaxo,8,0
-13,1,R13 lawesson's reagent and derivatives,P(=S)(S)S,Glaxo,8,0
-14,1,R14 phosphoramides,NP(=O)(N)N,Glaxo,8,0
-15,1,R15 Aromatic azides,cN=[N+]=[N-],Glaxo,8,0
-16,1,R16 beta carbonyl quaternary Nitrogen,"C(=O)C[N+,n+]",Glaxo,8,0
-17,1,R17 acylhydrazide,[N;R0][N;R0]C(=O),Glaxo,8,0
-18,1,"R18 Quaternary C, Cl, I, P or S","[C+,Cl+,I+,P+,S+]",Glaxo,8,0
-19,1,R19 Phosphoranes,C=P,Glaxo,8,0
-20,1,R20 Chloramidines,[Cl]C([C&R0])=N,Glaxo,8,0
-21,1,R21 Nitroso,[N&D2](=O),Glaxo,8,0
-22,1,R22 P/S Halides,"[P,S][Cl,Br,F,I]",Glaxo,8,0
-23,1,R23 Carbodiimide,N=C=N,Glaxo,8,0
-24,1,R24 Isonitrile,[N+]#[C-],Glaxo,8,0
-25,1,R25 Triacyloximes,C(=O)N(C(=O))OC(=O),Glaxo,8,0
-26,1,R26 Cyanohydrins,N#CC[OH],Glaxo,8,0
-27,1,R27 Acyl cyanides,N#CC(=O),Glaxo,8,0
-28,1,R28 Sulfonyl cyanides,S(=O)(=O)C#N,Glaxo,8,0
-29,1,R29 Cyanophosphonates,P(OCC)(OCC)(=O)C#N,Glaxo,8,0
-30,1,R30 Azocyanamides,[N;R0]=[N;R0]C#N,Glaxo,8,0
-31,1,R31 Azoalkanals,[N;R0]=[N;R0]CC=O,Glaxo,8,0
-32,1,I1 Aliphatic methylene chains 7 or more long,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],Glaxo,8,0
-33,1,I2 Compounds with 4 or more acidic groups,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",Glaxo,8,0
-34,1,I3 Crown ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],Glaxo,8,0
-35,1,I4 Disulphides,SS,Glaxo,8,0
-36,1,I5 Thiols,[SH],Glaxo,8,0
-37,1,"I6 Epoxides, Thioepoxides, Aziridines","C1[O,S,N]C1",Glaxo,8,0
-38,1,"I7 2,4,5 trihydroxyphenyl",c([OH])c([OH])c([OH]),Glaxo,8,0
-39,1,"I8 2,3,4 trihydroxyphenyl",c([OH])c([OH])cc([OH]),Glaxo,8,0
-40,1,I9 Hydrazothiourea,N=NC(=S)N,Glaxo,8,0
-41,1,I10 Thiocyanate,SC#N,Glaxo,8,0
-42,1,I11 Benzylic quaternary Nitrogen,cC[N+],Glaxo,8,0
-43,1,I12 Thioesters,"C[O,S;R0][C;R0](=S)",Glaxo,8,0
-44,1,I13 Cyanamides,N[CH2]C#N,Glaxo,8,0
-45,1,I14 Four membered lactones,C1(=O)OCC1,Glaxo,8,0
-46,1,I15 Di and Triphosphates,P(=O)([OH])OP(=O)[OH],Glaxo,8,0
-47,1,I16 Betalactams,N1CCC1=O,Glaxo,8,0
-48,1,N1 Quinones,O=C1[#6]~[#6]C(=O)[#6]~[#6]1,Glaxo,8,0
-49,1,N2 Polyenes,C=CC=CC=CC=C,Glaxo,8,0
-50,1,N3 Saponin derivatives,O1CCCCC1OC2CCC3CCCCC3C2,Glaxo,8,0
-51,1,N4 Cytochalasin derivatives,O=C1NCC2CCCCC21,Glaxo,8,0
-52,1,N5 Cycloheximide derivatives,O=C1CCCC(N1)=O,Glaxo,8,0
-53,1,N6 Monensin derivatives,O1CCCCC1C2CCCO2,Glaxo,8,0
-54,1,N7 Cyanidin derivatives,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,Glaxo,8,0
-55,1,N8 Squalestatin derivatives,C12OCCC(O1)CC2,Glaxo,8,0
-56,2,> 2 ester groups,"C(=O)O[C,H1].C(=O)O[C,H1].C(=O)O[C,H1]",Dundee,4,0
-57,2,2-halo pyridine,"n1c([F,Cl,Br,I])cccc1",Dundee,4,0
-58,2,acid halide,"C(=O)[Cl,Br,I,F]",Dundee,4,0
-59,2,acyclic C=C-O,C=[C!r]O,Dundee,4,0
-60,2,acyl cyanide,N#CC(=O),Dundee,4,0
-61,2,acyl hydrazine,C(=O)N[NH2],Dundee,4,0
-62,2,aldehyde,[CH1](=O),Dundee,4,0
-63,2,Aliphatic long chain,[R0;D2][R0;D2][R0;D2][R0;D2],Dundee,4,0
-64,2,alkyl halide,"[CX4][Cl,Br,I]",Dundee,4,0
-65,2,amidotetrazole,c1nnnn1C=O,Dundee,4,0
-66,2,aniline,c1cc([NH2])ccc1,Dundee,4,0
-67,2,azepane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4,0
-68,2,Azido group,N=[N+]=[N-],Dundee,4,0
-69,2,Azo group,N#N,Dundee,4,0
-70,2,azocane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4,0
-71,2,benzidine,"[cR2]1[cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2][cR2]1[cR2]2[cR2][cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2]2",Dundee,4,0
-72,2,beta-keto/anhydride,"[C,c](=O)[CX4,CR0X3,O][C,c](=O)",Dundee,4,0
-73,2,biotin analogue,C12C(NC(N1)=O)CSC2,Dundee,4,0
-74,2,Carbocation/anion,"[C+,c+,C-,c-]",Dundee,4,0
-75,2,catechol,"c1c([OH])c([OH,NH2,NH])ccc1",Dundee,4,0
-76,2,charged oxygen or sulfur atoms,"[O+,o+,S+,s+]",Dundee,4,0
-77,2,chinone,"C1(=[O,N])C=CC(=[O,N])C=C1",Dundee,4,0
-78,2,chinone,"C1(=[O,N])C(=[O,N])C=CC=C1",Dundee,4,0
-79,2,conjugated nitrile group,C=[C!r]C#N,Dundee,4,0
-80,2,crown ether,"[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]",Dundee,4,0
-81,2,cumarine,c1ccc2c(c1)ccc(=O)o2,Dundee,4,0
-82,2,cyanamide,N[CH2]C#N,Dundee,4,0
-83,2,cyanate/aminonitrile/thiocyanate,"[N,O,S]C#N",Dundee,4,0
-84,2,cyanohydrins,N#CC[OH],Dundee,4,0
-85,2,cycloheptane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4,0
-86,2,cycloheptane,[CR2]1[CR2][CR2]cc[CR2][CR2]1,Dundee,4,0
-87,2,cyclooctane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4,0
-88,2,cyclooctane,[CR2]1[CR2][CR2]cc[CR2][CR2][CR2]1,Dundee,4,0
-89,2,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])c([N+0X3R0,nX3R0])[cR2][cR2]1",Dundee,4,0
-90,2,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2]c([N+0X3R0,nX3R0])[cR2]1",Dundee,4,0
-91,2,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2][cR2]c1([N+0X3R0,nX3R0])",Dundee,4,0
-92,2,diazo group,[N!R]=[N!R],Dundee,4,0
-93,2,diketo group,"[C,c](=O)[C,c](=O)",Dundee,4,0
-94,2,disulphide,SS,Dundee,4,0
-95,2,enamine,[CX2R0][NX3R0],Dundee,4,0
-96,2,ester of HOBT,C(=O)Onnn,Dundee,4,0
-97,2,four member lactones,C1(=O)OCC1,Dundee,4,0
-98,2,halogenated ring,"c1cc([Cl,Br,I,F])cc([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4,0
-99,2,halogenated ring,"c1ccc([Cl,Br,I,F])c([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4,0
-100,2,heavy metal,"[Hg,Fe,As,Sb,Zn,Se,se,Te,B,Si]",Dundee,4,0
-101,2,het-C-het not in ring,"[NX3R0,NX4R0,OR0,SX2R0][CX4][NX3R0,NX4R0,OR0,SX2R0]",Dundee,4,0
-102,2,hydantoin,C1NC(=O)NC(=O)1,Dundee,4,0
-103,2,hydrazine,N[NH2],Dundee,4,0
-104,2,hydroquinone,"[OH]c1ccc([OH,NH2,NH])cc1",Dundee,4,0
-105,2,hydroxamic acid,C(=O)N[OH],Dundee,4,0
-106,2,imine,C=[N!R],Dundee,4,0
-107,2,imine,"N=[CR0][N,n,O,S]",Dundee,4,0
-108,2,iodine,I,Dundee,4,0
-109,2,isocyanate,N=C=O,Dundee,4,0
-110,2,isolated alkene,"[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]=[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]",Dundee,4,0
-111,2,ketene,C=C=O,Dundee,4,0
-112,2,"methylidene-1,3-dithiole",S1C=CSC1=S,Dundee,4,0
-113,2,Michael acceptor,"C=!@CC=[O,S]",Dundee,4,0
-114,2,Michael acceptor,"[$([CH]),$(CC)]#CC(=O)[C,c]",Dundee,4,0
-115,2,Michael acceptor,"[$([CH]),$(CC)]#CS(=O)(=O)[C,c]",Dundee,4,0
-116,2,Michael acceptor,C=C(C=O)C=O,Dundee,4,0
-117,2,Michael acceptor,"[$([CH]),$(CC)]#CC(=O)O[C,c]",Dundee,4,0
-118,2,N oxide,"[NX2,nX3][OX1]",Dundee,4,0
-119,2,"N-acyl-2-amino-5-mercapto-1,3,4-thiadiazole",s1c(S)nnc1NC=O,Dundee,4,0
-120,2,N-C-halo,"NC[F,Cl,Br,I]",Dundee,4,0
-121,2,N-halo,"[NX3,NX4][F,Cl,Br,I]",Dundee,4,0
-122,2,N-hydroxyl pyridine,n[OH],Dundee,4,0
-123,2,nitro group,[N+](=O)[O-],Dundee,4,0
-124,2,N-nitroso,[#7]-N=O,Dundee,4,0
-125,2,oxime,"[C,c]=N[OH]",Dundee,4,0
-126,2,oxime,"[C,c]=NOC=O",Dundee,4,0
-127,2,Oxygen-nitrogen single bond,"[OR0,NR0][OR0,NR0]",Dundee,4,0
-128,2,perfluorinated chain,[CX4](F)(F)[CX4](F)F,Dundee,4,0
-129,2,peroxide,OO,Dundee,4,0
-130,2,phenol ester,c1ccccc1OC(=O)[#6],Dundee,4,0
-131,2,phenyl carbonate,c1ccccc1OC(=O)O,Dundee,4,0
-132,2,phosphor,P,Dundee,4,0
-133,2,phthalimide,"[cR,CR]~C(=O)NC(=O)~[cR,CR]",Dundee,4,0
-134,2,Polycyclic aromatic hydrocarbon,a1aa2a3a(a1)A=AA=A3=AA=A2,Dundee,4,0
-135,2,Polycyclic aromatic hydrocarbon,a21aa3a(aa1aaaa2)aaaa3,Dundee,4,0
-136,2,Polycyclic aromatic hydrocarbon,a31a(a2a(aa1)aaaa2)aaaa3,Dundee,4,0
-137,2,polyene,[CR0]=[CR0][CR0]=[CR0],Dundee,4,0
-138,2,quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[nX3+,NX3+](~[s,S,c,C,n,N])~[s,S,c,C,n,N]",Dundee,4,0
-139,2,quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[n+,N+](~[s,S,c,C,n,N,o,O])(~[s,S,c,C,n,N,o,O])~[s,S,c,C,n,N,o,O]",Dundee,4,0
-140,2,quaternary nitrogen,[*]=[N+]=[*],Dundee,4,0
-141,2,saponine derivative,O1CCCCC1OC2CCC3CCCCC3C2,Dundee,4,0
-142,2,silicon halogen,"[Si][F,Cl,Br,I]",Dundee,4,0
-143,2,stilbene,c1ccccc1C=Cc2ccccc2,Dundee,4,0
-144,2,sulfinic acid,"[SX3](=O)[O-,OH]",Dundee,4,0
-145,2,Sulfonic acid,"[C,c]S(=O)(=O)O[C,c]",Dundee,4,0
-146,2,Sulfonic acid,"S(=O)(=O)[O-,OH]",Dundee,4,0
-147,2,sulfonyl cyanide,S(=O)(=O)C#N,Dundee,4,0
-148,2,sulfur oxygen single bond,[SX2]O,Dundee,4,0
-149,2,sulphate,OS(=O)(=O)[O-],Dundee,4,0
-150,2,Sulphur-nitrogen single bond,[SX2H0][N],Dundee,4,0
-151,2,Thiobenzothiazole,c12ccccc1(SC(S)=N2),Dundee,4,0
-152,2,thiobenzothiazole,c12ccccc1(SC(=S)N2),Dundee,4,0
-153,2,Thiocarbonyl group,"[C,c]=S",Dundee,4,0
-154,2,thioester,SC=O,Dundee,4,0
-155,2,thiol,[S-],Dundee,4,0
-156,2,thiol,[SH],Dundee,4,0
-157,2,Three-membered heterocycle,"*1[O,S,N]*1",Dundee,4,0
-158,2,triflate,OS(=O)(=O)C(F)(F)F,Dundee,4,0
-159,2,triphenyl methylsilyl,"[SiR0,CR0](c1ccccc1)(c2ccccc2)(c3ccccc3)",Dundee,4,0
-160,2,triple bond,C#C,Dundee,4,0
-161,3,2halo_pyrazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7][#6][#6]1",BMS,7,0
-162,3,2halo_pyrazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6;!$(c-N)][#7][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)]1",BMS,7,0
-163,3,2halo_pyridazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#6][#7]1",BMS,7,0
-164,3,2halo_pyridazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7]1",BMS,7,0
-165,3,2halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)][#6][#6;!$(c-N)]1",BMS,7,0
-166,3,2halo_pyridine_5EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6][#6;!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c=O);!$(c-N)]1",BMS,7,0
-167,3,2halo_pyrimidine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#7][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7,0
-168,3,3halo_pyridazine_2EWG,"[#7;R1]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6][#7]1",BMS,7,0
-169,3,3halo_pyridazine_4EWG,"[#7;R1]1[#6][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#7]1",BMS,7,0
-170,3,4_pyridone_3_5_EWG,"[#7,#8,#16]1~[#6;H]~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6](=O)~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6;H]1",BMS,7,0
-171,3,4halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O);!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6;!$(c=O);!$(c-N)]1",BMS,7,0
-172,3,4halo_pyrimidine_2_6EWG,"[#7]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7;R1][#6]([F,Cl,Br,I])[#6][#6]1([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7,0
-173,3,4halo_pyrimidine_5EWG,"[#7]1[#6][#7;R1][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7,0
-174,3,CH2_S#O_3_ring,"[CH2]1[O,S]C1",BMS,7,0
-175,3,HOBT_ester,"O=C(-[!N])O[$(nnn),$([#7]-[#7]=[#7])]",BMS,7,0
-176,3,NO_phosphonate,P(=O)ON,BMS,7,0
-177,3,acrylate,[CH2]=[C;!$(C-N);!$(C-O)]C(=O),BMS,7,0
-178,3,activated_4mem_ring,"[#6]1~[$(C(=O)),$(S(=O))]~[O,S,N]~[$(C(=O)),$(S(=O))]1",BMS,7,0
-179,3,activated_S#O_3_ring,"C1~[O,S]~[C,N,O,S]1[a,N,O,S]",BMS,7,0
-180,3,activated_acetylene,"[$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))]C#[C;!$(C-N);!$(C-n)]",BMS,7,0
-181,3,activated_diazo,"[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])=[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7,0
-182,3,activated_vinyl_ester,"O=COC=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7,0
-183,3,activated_vinyl_sulfonate,"O(-S(=O)(=O))C=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7,0
-184,3,acyclic_imide,"[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]",BMS,7,0
-185,3,acyl_123_triazole,[#7;R1]1~[#7;R1]~[#7;R1](-C(=O))~[#6]~[#6]1,BMS,7,0
-186,3,acyl_134_triazole,[#7]1~[#7]~[#6]~[#7](-C(=O)[!N])~[#6]1,BMS,7,0
-187,3,acyl_activated_NO,"O=C(-[!N])O[$([#7;+]),$(N(C=[O,S,N])(C=[O,S,N]))]",BMS,7,0
-188,3,acyl_cyanide,C(=O)-C#N,BMS,7,0
-189,3,acyl_imidazole,"[C;!$(C-N)](=O)[#7]1[#6;H1,$([#6]([*;!R]))][#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7,0
-190,3,acyl_pyrazole,"[C;!$(C-N)](=O)[#7]1[#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7,0
-191,3,aldehyde,"[C,c][C;H1](=O)",BMS,7,0
-192,3,alpha_dicarbonyl,C(=O)!@C(=O),BMS,7,0
-193,3,alpha_halo_EWG,"[$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-])]-[CH,CH2]-[Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7,0
-194,3,alpha_halo_amine,"[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]",BMS,7,0
-195,3,alpha_halo_carbonyl,"C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7,0
-196,3,alpha_halo_heteroatom,"[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$(C(F)(F))][F,Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7,0
-197,3,alpha_halo_heteroatom_tert,"[N,n,O,S;!$(S(=O)(=O))]-C([Cl,Br,I,$(O(S(=O)(=O)))])(C)(C)",BMS,7,0
-198,3,anhydride,"[$(C(=O)),$(C(=S))]-[O,S]-[$(C(=O)),$(C(=S)),$(C(=[N;!R])),$(C(=N(-[C;X4])))]",BMS,7,0
-199,3,aryl_phosphonate,P(=O)-[O;!R]-a,BMS,7,0
-200,3,aryl_thiocarbonyl,a-[S;X2;!R]-[C;!R](=O),BMS,7,0
-201,3,azide,"[$(N#[N+]-[N-]),$([N-]=[N+]=N)]",BMS,7,0
-202,3,aziridine_diazirine,"[C,N]1~[C,N]~N~1",BMS,7,0
-203,3,azo_amino,[N]=[N;!R]-[N],BMS,7,0
-204,3,azo_aryl,c[N;!R;!+]=[N;!R;!+]-c,BMS,7,0
-205,3,azo_filter1,[N;!R]=[N;!R]-[N]=[*],BMS,7,0
-206,3,azo_filter2,[N;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!r3;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!$(N-S(=O)(=O));!$(N-C=O)],BMS,7,0
-207,3,azo_filter3,[N;!R]-[N;!R]-[N;!R],BMS,7,0
-208,3,azo_filter4,a-N=N-[N;H2],BMS,7,0
-209,3,bad_boron,"[B-,BH2,BH3,$(B(F)(F))]",BMS,7,0
-210,3,bad_cations,"[C+,F+,Cl+,Br+,I+,Se+]",BMS,7,0
-211,3,benzidine_like,c([N;!+])1ccc(c2ccc([N;!+])cc2)cc1,BMS,7,0
-212,3,beta_lactone,"[#6,#15,#16]1(=O)~[#6]~[#6]~[#8,#16]1",BMS,7,0
-213,3,betalactam,C1(=O)~[#6]~[#6]N1,BMS,7,0
-214,3,betalactam_EWG,"C1(=O)~[#6]~[#6]N1([$(S(=O)(=O)[C,c,O&D2]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)[C,c,O&D2])])",BMS,7,0
-215,3,bis_activated_aryl_ester,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7,0
-216,3,bis_keto_olefin,"CC(=O)[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]=[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]C(=O)C",BMS,7,0
-217,3,boron_warhead,"[C,c]~[#5]",BMS,7,0
-218,3,branched_polycyclic_aromatic,a1(a2aa(a3aaaaa3)aa(a4aaaaa4)a2)aaaaa1,BMS,7,0
-219,3,carbodiimide_iso#thio#cyanate,"N=C=[N,O,S]",BMS,7,0
-220,3,carbonyl_halide,"O=C[F,Cl,Br,I]",BMS,7,0
-221,3,contains_metal,"[$([Ru]),$([Rh]),$([#34]),$([Pd]),$([Sc]),$([Bi]),$([Sb]),$([Ag]),$([Ti]),$([Al]),$([Cd]),$([V]),$([In]),$([Cr]),$([Sn]),$([Mn]),$([La]),$([Fe]),$([Er]),$([Tm]),$([Yb]),$([Lu]),$([Hf]),$([Ta]),$([W]),$([Re]),$([Co]),$([Os]),$([Ni]),$([Ir]),$([Cu]),$([Zn]),$([Ga]),$([Ge]),$([#33]),$([Y]),$([Zr]),$([Nb]),$([Ce]),$([Pr]),$([Nd]),$([Sm]),$([Eu]),$([Gd]),$([Tb]),$([Dy]),$([Ho]),$([Pt]),$([Au]),$([Hg]),$([Tl]),$([Pb]),$([Ac]),$([Th]),$([Pa]),$([Mo]),$([U]),$([Tc]),$([Te]),$([Po]),$([At])]",BMS,7,0
-222,3,crown_ether,"[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]",BMS,7,0
-223,3,cyano_phosphonate,"P(O[A,a])(O[A,a])(=O)C#N",BMS,7,0
-224,3,cyanohydrin,"[C;X4](-[OH,NH1,NH2,SH])(-C#N)",BMS,7,0
-225,3,diamino_sulfide,"[N,n]~[S;!R;D2]~[N,n]",BMS,7,0
-226,3,diazo_carbonyl,"[$(N=N=C~C=O),$(N#N-C~C=O)]",BMS,7,0
-227,3,diazonium,a[N+]#N,BMS,7,0
-228,3,dicarbonyl_sulfonamide,"[$(N(-C(=O))(-C(=O))(-S(=O))),$(n([#6](=O))([#6](=O))([#16](=O)))]",BMS,7,0
-229,3,disulfide_acyclic,[S;!R;X2]-[S;!R;X2],BMS,7,0
-230,3,disulfonyliminoquinone,S(=O)(=O)N=C1C=CC(=NS(=O)(=O))C=C1,BMS,7,0
-231,3,double_trouble_warhead,NC(C[S;D1])C([N;H1]([O;D1]))=O,BMS,7,0
-232,3,flavanoid,O=C2CC(a3aaaaa3)Oa1aaaaa12,BMS,7,0
-233,3,four_nitriles,C#N.C#N.C#N.C#N,BMS,7,0
-234,3,gte_10_carbon_sb_chain,[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R],BMS,7,0
-235,3,gte_2_N_quats,"[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]",BMS,7,0
-236,3,gte_2_free_phos,P([O;D1])=O.P([O;D1])=O,BMS,7,0
-237,3,gte_2_sulfonic_acid,"[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]",BMS,7,0
-238,3,gte_3_COOH,C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1],BMS,7,0
-239,3,gte_3_iodine,[#53].[#53].[#53],BMS,7,0
-240,3,gte_4_basic_N,"[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)]",BMS,7,0
-241,3,gte_4_nitro,"[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)]",BMS,7,0
-242,3,gte_5_phenolic_OH,a[O;D1].a[O;D1].a[O;D1].a[O;D1].a[O;D1],BMS,7,0
-243,3,gte_7_aliphatic_OH,C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1],BMS,7,0
-244,3,gte_7_total_hal,"[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]",BMS,7,0
-245,3,gte_8_CF2_or_CH2,"[CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0]",BMS,7,0
-246,3,halo_5heterocycle_bis_EWG,"[#7,#8,#16]1[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#7][#6]1([Cl,Br,I])",BMS,7,0
-247,3,halo_acrylate,"[$([C;H2]),$([C&H1;$(C-F)]),$([C&H1;$(C-Cl)]),$([C&H1;$(C-Br)]),$([C&H1;$(CI)]),$(C(F)F),$(C(Cl)Cl),$(C(Br)Br),$(C(I)I),$(C(F)Cl),$(C(F)Br),$(C(F)I),$(C(Cl)Br),$(C(Br)I)](=[$([C&H1;$(C(-C(=O)))]),$(C(F)(C(=O))),$(C(Cl)(C(=O))),$(C(Br)(C(=O))),$(C(I)(C(=O))),$(C(C)(C(=O))),$(C(c)(C(=O)))])",BMS,7,0
-248,3,halo_imino,"C(=[#7])([Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7,0
-249,3,halo_olefin_bis_EWG,"C([Cl,Br,I,$(O(S(=O)(=O)))])=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7,0
-250,3,halo_phenolic_carbonyl,"C(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7,0
-251,3,halo_phenolic_sulfonyl,"S(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7,0
-252,3,halogen_heteroatom,"[!C;!c;!H][F,Cl,Br,I]",BMS,7,0
-253,3,hetero_silyl,[Si]~[!#6],BMS,7,0
-254,3,hydrazine,[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]-[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))],BMS,7,0
-255,3,hydrazothiourea,[N;!R]=NC(=S)N,BMS,7,0
-256,3,hydroxamate_warhead,C([N;H1]([O;D1]))=O,BMS,7,0
-257,3,hyperval_sulfur,"[$([#16&D3]),$([#16&D4])]=,:[#6]",BMS,7,0
-258,3,isonitrile,[N+]#[C-],BMS,7,0
-259,3,keto_def_heterocycle,"[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]",BMS,7,0
-260,3,linear_polycyclic_aromatic_I,"[$(a12aaaaa1aa3a(aa(aaaa4)a4a3)a2),$(a12aaaaa1aa3a(aaa4a3aaaa4)a2),$(a12aaaaa1a(aa5)a3a(aaa4a3a5aaa4)a2)]",BMS,7,0
-261,3,linear_polycyclic_aromatic_II,"[$(a12aaaa4a1a3a(aaaa3aa4)aa2),$(a12aaaaa1a3a(aaa4a3aaaa4)aa2),$(a1(a(aaaa4)a4a3a2aaaa3)a2aaaa1)]",BMS,7,0
-262,3,maleimide_etc,"[$([C;H1]),$(C(-[F,Cl,Br,I]))]1=[$([C;H1]),$(C(-[F,Cl,Br,I]))]C(=O)[N,O,S]C(=O)1",BMS,7,0
-263,3,meldrums_acid_deriv,O=C1OC(C)(C)OC(C1)=O,BMS,7,0
-264,3,monofluoroacetate,"[C;H2](F)C(=O)[O,N,S]",BMS,7,0
-265,3,nitrone,[C;!R]=[N+][O;D1],BMS,7,0
-266,3,nitrosamine,N-[N;X2](=O),BMS,7,0
-267,3,non_ring_CH2O_acetal,"[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]",BMS,7,0
-268,3,non_ring_acetal,"[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]",BMS,7,0
-269,3,non_ring_ketal,"[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)",BMS,7,0
-270,3,ortho_hydroiminoquinone,c1c([N;D1])c([N;D1])c[cH1][cH1]1,BMS,7,0
-271,3,ortho_hydroquinone,"a1c([O,S;D1])c([O,S;D1])a[cH1][cH1]1",BMS,7,0
-272,3,ortho_nitrophenyl_carbonyl,"[#6]1(-O-[C;!R](=[O,N;!R]))[#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6][#6][#6]1",BMS,7,0
-273,3,ortho_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=CC(=[O,N,S;!R])C(=[O,N,S])C=[CH1,$(C(-[Cl,Br,I]))]1",BMS,7,0
-274,3,oxaziridine,"C1~[O,S]~N1",BMS,7,0
-275,3,oxime,[$(C=N[O;D1]);!$(C=[N+])][#6][#6],BMS,7,0
-276,3,oxonium,"[o+,O+]",BMS,7,0
-277,3,para_hydroiminoquinone,a1[cH1]c([N;D1])[cH1]ac([N;D1])1,BMS,7,0
-278,3,para_hydroquinone,"a1[cH1]c([O,S;D1])[cH1]ac([O,S;D1])1",BMS,7,0
-279,3,para_nitrophenyl_ester,"[#6]1(-O(-[C;!R](-[!N])(=[O,N;!R])))[#6][#6][#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6]1",BMS,7,0
-280,3,para_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=[CH1,$(C(-[Cl,Br,I]))]C(=[O,N,S])[CH1,$(C(-[Cl,Br,I]))]=[CH1,$(C(-[Cl,Br,I]))]C1(=[O,N,S])",BMS,7,0
-281,3,paraquat_like,[#6]1[#6][#6]([#6]2[#6][#6][#7;+][#6][#6]2)[#6][#6][#7;+]1,BMS,7,0
-282,3,pentafluorophenylester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),BMS,7,0
-283,3,perchloro_cp,C1(Cl)(Cl)C(Cl)C(Cl)=C(Cl)C1(Cl),BMS,7,0
-284,3,perhalo_dicarbonyl_phenyl,"c1(C=O)c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1(C=O)",BMS,7,0
-285,3,perhalo_phenyl,"c1c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1([Br,Cl,I])",BMS,7,0
-286,3,peroxide,[#8]~[#8],BMS,7,0
-287,3,phenolate_bis_EWG,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7,0
-288,3,phos_serine_warhead,NC(COP(O)(O)=O)C(O)=O,BMS,7,0
-289,3,phos_threonine_warhead,NC(C(C)OP(O)(O)=O)C(O)=O,BMS,7,0
-290,3,phos_tyrosine_warhead,NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O,BMS,7,0
-291,3,phosphite,"[c,C]-[P;v3]",BMS,7,0
-292,3,phosphonium,[#15;+]~[!O],BMS,7,0
-293,3,phosphorane,C=P,BMS,7,0
-294,3,phosphorous_nitrogen_bond,"[#15]~[N,n]",BMS,7,0
-295,3,phosphorus_phosphorus_bond,P~P,BMS,7,0
-296,3,phosphorus_sulfur_bond,P~S,BMS,7,0
-297,3,polyene,C=[C;!R][C;!R]=[C;!R][C;!R]=[C;!R],BMS,7,0
-298,3,polyhalo_phenol_a,"c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1.c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1",BMS,7,0
-299,3,polyhalo_phenol_b,"c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1.c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1",BMS,7,0
-300,3,polyhalo_phenol_c,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7,0
-301,3,polyhalo_phenol_d,"c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1.c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1",BMS,7,0
-302,3,polyhalo_phenol_e,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7,0
-303,3,polysulfide,[S;D2]-[S;D2]-[S;D2],BMS,7,0
-304,3,porphyrin,"[#6;r16,r17,r18]~[#6]1~[#6]~[#6]~[#6](~[#6])~[#7]1",BMS,7,0
-305,3,primary_halide_sulfate,"[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7,0
-306,3,quat_N_N,"[N,n;R;+]!@[N,n]",BMS,7,0
-307,3,quat_N_acyl,"[N,n;+]!@C(=O)",BMS,7,0
-308,3,quinone_methide,"[#6;!$([#6](-[N,O,S]))]1=[#6;!$([#6](-[N,O,S]))][#6](=[#6])[#6;!$([#6](-[N,O,S]))]=[#6;!$([#6](-[N,O,S]))][#6]1(=[O,N,S])",BMS,7,0
-309,3,rhodanine,C(=C)1SC(=S)NC(=O)1,BMS,7,0
-310,3,secondary_halide_sulfate,"[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7,0
-311,3,sulf_D2_nitrogen,[S;D2](-[N;!$(N(=C));!$(N(-S(=O)(=O)));!$(N(-C(=O)))]),BMS,7,0
-312,3,sulf_D2_oxygen_D2,[S;D2][O;D2],BMS,7,0
-313,3,sulf_D3_nitrogen,"[S;D3](-N)(-[c,C])(-[c,C])",BMS,7,0
-314,3,sulfite_sulfate_ester,"[C,c]OS(=O)O[C,c]",BMS,7,0
-315,3,sulfonium,[S+;X3;$(S-C);!$(S-[O;D1])],BMS,7,0
-316,3,sulfonyl_anhydride,"[$(C(=O)),$(S(=O)(=O))][O,S](S(=O)(=O))",BMS,7,0
-317,3,sulfonyl_halide,"S(=O)(=O)[F,Cl,Br,I]",BMS,7,0
-318,3,sulfonyl_heteroatom,"[!#6;!#1;!#11;!#19]O(S(=O)(=O)(-[C,c]))",BMS,7,0
-319,3,sulphonyl_cyanide,S(=O)(=O)C#N,BMS,7,0
-320,3,tertiary_halide_sulfate,"[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])",BMS,7,0
-321,3,thio_hydroxamate,"[S;D2]([$(N(=C)),$(N(-S(=O)(=O))),$(N(-C(=O)))])",BMS,7,0
-322,3,thio_xanthate,[S;!R]-[C;!R](=[S;!R])(-[S;!R]),BMS,7,0
-323,3,thiocarbonate,"SC(=O)[O,S]",BMS,7,0
-324,3,thioester,"[S;!R;H0]C(=[S,O;!R])([!O;!S;!N])",BMS,7,0
-325,3,thiol_warhead,NC(C[S;D1])C(O)=O,BMS,7,0
-326,3,thiopyrylium,"c1[S,s;+]cccc1",BMS,7,0
-327,3,thiosulfoxide,"[C,c][S;X3](~O)-S",BMS,7,0
-328,3,triamide,"[$(N(-C(=O))(-C(=O))(-C(=O))),$(n([#6](=O))([#6](=O))([#6](=O)))]",BMS,7,0
-329,3,triaryl_phosphine_oxide,P(=O)(a)(a)(a),BMS,7,0
-330,3,trichloromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(Cl)(Cl)(Cl),BMS,7,0
-331,3,triflate,OS(=O)(=O)(C(F)(F)(F)),BMS,7,0
-332,3,trifluoroacetate_ester,C(F)(F)(F)C(=O)O,BMS,7,0
-333,3,trifluoroacetate_thioester,C(F)(F)(F)C(=O)S,BMS,7,0
-334,3,trifluoromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(F)(F)(F),BMS,7,0
-335,3,trihalovinyl_heteroatom,"C(-[Cl,Br,I])(-[Cl,Br,I])=C(-[Cl,Br,I])(-[N,O,S])",BMS,7,0
-336,3,trinitro_aromatic,"[$(a1aaa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])a1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1aa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1a([$(N(=O)(=O)),$([N+](=O)[O-])])aa([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])]))]",BMS,7,0
-337,3,trinitromethane_derivative,"C([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])",BMS,7,0
-338,3,tris_activated_aryl_ester,"[$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aaa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1)]",BMS,7,0
-339,3,trisub_bis_act_olefin,"[CH;!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7,0
-340,3,vinyl_carbonyl_EWG,"[C;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=[C;!R]([C;!R](=O))([!$([#8]);!$([#7])])",BMS,7,0
-341,4,ene_six_het_A(483),[#6]-1(-[#6](~[!#6&!#1]~[#6]-[!#6&!#1]-[#6]-1=[!#6&!#1])~[!#6&!#1])=[#6;!R],PAINS,6,0
-342,4,hzone_phenol_A(479),c:1:c:c(:c(:c:c:1)-[#6]=[#7]-[#7])-[O;H1],PAINS,6,0
-343,4,anil_di_alk_A(478),"[C;H2]N([C;H2])c1cc([$([H]),$([C;H2]),$([O][C;H2][C;H2])])c(N)c([H])c1",PAINS,6,0
-344,4,indol_3yl_alk(461),"n:1(c(c(c:2:c:1:c:c:c:c:2-[H])-[C;D4]-[H])-[$([C;H2]),$([C]=,:[!C]),$([C;H1][N]),$([C;H1]([C;H2])[N;H1][C;H2]),$([C;H1]([C;H2])[C;H2][N;H1][C;H2])])-[$([H]),$([C;H2])]",PAINS,6,0
-345,4,quinone_A(370),"[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1",PAINS,6,0
-346,4,azo_A(324),[#7;!R]=[#7],PAINS,6,0
-347,4,imine_one_A(321),"[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]",PAINS,6,0
-348,4,mannich_A(296),[#7]-[C;X4]-c1ccccc1-[O;H1],PAINS,6,0
-349,4,anil_di_alk_B(251),c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6]=[#6],PAINS,6,0
-350,4,anil_di_alk_C(246),"c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7](-[#6;X4])-[$([#1]),$([#6;X4])]",PAINS,6,0
-351,4,ene_rhod_A(235),[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8],PAINS,6,0
-352,4,hzone_phenol_B(215),c:1(:c:c:c(:c:c:1)-[#6]=[#7]-[#7])-[#8]-[#1],PAINS,6,0
-353,4,ene_five_hetA1(201A),"[#6]-1(=[#6])-[#6]=[#7]-[#7,#8,#16]-[#6]-1=[#8]",PAINS,6,0
-354,4,ene_five_het_A(201),[#6]-1(=[#6])-[#6]=[#7]-[!#6&!#1]-[#6]-1=[#8],PAINS,6,0
-355,4,anil_di_alk_D(198),"c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6;X4]-[$([#8]-[#1]),$([#6]=[#6]-[#1]),$([#7]-[#6;X4])]",PAINS,6,0
-356,4,imine_one_isatin(189),[#8]=[#6]-2-[#6](=!@[#7]-[#7])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6,0
-357,4,anil_di_alk_E(186),"[#6](-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])-[$([#1]),$([#6]-[#1])])-[#1])-[#1]",PAINS,6,0
-358,4,thiaz_ene_A(128),"[#6]-1(=[#6](-[$([#1]),$([#6](-[#1])-[#1]),$([#6]=[#8])])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6]-[#1]),$([#6]:[#6])])=[#7;!R])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6,0
-359,4,pyrrole_A(118),n2(-[#6]:1:[!#1]:[#6]:[#6]:[#6]:[#6]:1)c(cc(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6,0
-360,4,catechol_A(92),c:1:c:c(:c(:c:c:1)-[#8;H1])-[#8;H1],PAINS,6,0
-361,4,ene_five_het_B(90),[#6]-1(=[#6])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6,0
-362,4,imine_one_fives(89),[#6]-1=[!#1]-[!#6&!#1]-[#6](-[#6]-1=[!#6&!#1;!R])=[#8],PAINS,6,0
-363,4,ene_five_het_C(85),[#6]-1(-[#6](-[#6]=[#6]-[!#6&!#1]-1)=[#6])=[!#6&!#1],PAINS,6,0
-364,4,hzone_pipzn(79),"CN1[C;H2][C;H2]N(N=[C;H1][#6]=,:[#6])[C;H2][C;H2]1",PAINS,6,0
-365,4,keto_keto_beta_A(68),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6,0
-366,4,hzone_pyrrol(64),Cn1cccc1C=NN,PAINS,6,0
-367,4,ene_one_ene_A(57),[#6]=!@[#6](-[!#1])-@[#6](=!@[!#6&!#1])-@[#6](=!@[#6])-[!#1],PAINS,6,0
-368,4,cyano_ene_amine_A(56),N#CC=C(N)C(C#N)C#N,PAINS,6,0
-369,4,ene_five_one_A(55),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6])-[#6]-2=[#8],PAINS,6,0
-370,4,cyano_pyridone_A(54),N#Cc1ccc[#7;H1]c1=S,PAINS,6,0
-371,4,anil_alk_ene(51),c:1:c:c-2:c(:c:c:1)-[#6]-3-[#6](-[#6]-[#7]-2)-[#6]-[#6]=[#6]-3,PAINS,6,0
-372,4,amino_acridine_A(46),c:1:c:2:c(:c:c:c:1):n:c:3:c(:c:2-[#7]):c:c:c:c:3,PAINS,6,0
-373,4,ene_five_het_D(46),[#6]-1(=[#6])-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6,0
-374,4,thiophene_amino_Aa(45),[H]N([H])c1sc([!#1])c([!#1])c1C=O,PAINS,6,0
-375,4,ene_five_het_E(44),[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2,PAINS,6,0
-376,4,sulfonamide_A(43),"NS(=O)(=O)c1cc([F,Cl,Br,I])cc([F,Cl,Br,I])c1O",PAINS,6,0
-377,4,thio_ketone(43),[#6]-[#6](=[#16])-[#6],PAINS,6,0
-378,4,sulfonamide_B(41),[H]N(c1ccc([O;H1])cc1)S(=O)=O,PAINS,6,0
-379,4,anil_no_alk(40),"c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[$([#8]),$([#7]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#7](-[#1])-[#1]",PAINS,6,0
-380,4,thiophene_amino_Ab(40),"[$([#1]),$([#6](-[#1])-[#1]),$([#6]:[#6])]-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8])-[$([#6]:1:[#6]:[#6]:[#6]:[#6]:[#6]:1),$([#6]:1:[#16]:[#6]:[#6]:[#6]:1)]",PAINS,6,0
-381,4,het_pyridiniums_A(39),"[H]c1c([$([N]),$([H])])ccc2ccc[n+]([$([O;X1]),$([C;H3]),$([#6][#6]:[#6]),$([#6][#6][#8]),$([#6][#6](C)=[#8]),$([#6][#6](N)=[#8]),$([#6][#6][#6])])c12",PAINS,6,0
-382,4,anthranil_one_A(38),CC(=O)c1ccccc1[#7;H1][!$([#6]=[#8])],PAINS,6,0
-383,4,cyano_imine_A(37),[#7;H1][#7]=[#6](-[#6]#[#7])-[#6]=[!#6&!#1;!R],PAINS,6,0
-384,4,diazox_sulfon_A(36),"[#7](-c:1:c:c:c:c:c:1)-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[#6]:[#6]:[#6]:3:[#7]:[$([#8]),$([#16])]:[#7]:[#6]:2:3",PAINS,6,0
-385,4,hzone_anil_di_alk(35),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]-[$([#6](=[#8])-[#6](-[#1])(-[#1])-[#16]-[#6]:[#7]),$([#6](=[#8])-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[#7]),$([#6](=[#8])-[#6]:[#6]-[#8]-[#1]),$([#6]:[#7]),$([#6](-[#1])(-[#1])-[#6](-[#1])-[#8]-[#1])])-[#1])-[#1]",PAINS,6,0
-386,4,rhod_sat_A(33),[#7]-1-[#6](=[#16])-[#16]-[#6;X4]-[#6]-1=[#8],PAINS,6,0
-387,4,hzone_enamin(30),"[#7][#7]=[#6][#6](-[$([#1]),$([#6])])=[#6]([#6])-!@[$([#7]),$([#8])]",PAINS,6,0
-388,4,pyrrole_B(29),[#6;X4]c1ccc([#6]:[#6])n1c2ccccc2,PAINS,6,0
-389,4,thiophene_hydroxy(28),s1ccc(c1)-[#8;H1],PAINS,6,0
-390,4,cyano_pyridone_B(27),"[!#6][#6]1=,:[#7][#6]([#6])=,:[#6](C#N)[#6](=O)[#7]1",PAINS,6,0
-391,4,imine_one_sixes(27),[#6]-1(-[#6](=[#8])-[#7]-[#6](=[#8])-[#7]-[#6]-1=[#8])=[#7],PAINS,6,0
-392,4,dyes5A(27),"[#6]=,:[#6]:[#7]([#6])~[#6]:[#6]=,:[#6][#6]~[#6]:[#7]",PAINS,6,0
-393,4,naphth_amino_A(25),"c1cc2cccc3[#7][#6]=,:[#7]c(c1)c23",PAINS,6,0
-394,4,naphth_amino_B(25),[C;X4]1[N;H1]c3cccc2cccc([N;H1]1)c23,PAINS,6,0
-395,4,ene_one_ester(24),[#6]-[#8]-[#6](=[#8])-[#6](-[#7][#6])=[#6]-[#6](-[#6])=[#8],PAINS,6,0
-396,4,thio_dibenzo(23),"S=[#6]1[#6]=,:[#6][!#6,!#6][#6]=,:[#6]1",PAINS,6,0
-397,4,cyano_cyano_A(23),"[#6](-[#6]#[#7])(-[#6]#[#7])-[#6](-[$([#6]#[#7]),$([#6]=[#7])])-[#6]#[#7]",PAINS,6,0
-398,4,hzone_acyl_naphthol(22),[H]c2c([H])c([H])c1c([H])c(C(=O)NN=C)c(O)c([H])c1c2[H],PAINS,6,0
-399,4,het_65_A(21),O=Cc1cnn2c([#8;H1])ccnc12,PAINS,6,0
-400,4,imidazole_A(19),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#1])-[#6]:[!#1],PAINS,6,0
-401,4,ene_cyano_A(19),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6]-c:1:c:c:c:c:c:1,PAINS,6,0
-402,4,anthranil_acid_A(19),C=NNc1ccccc1C(=O)[#8;H1],PAINS,6,0
-403,4,dyes3A(19),"[#6]-,:[#6]:[#7+]=,:[#6][#6]=[#6][#7][#6;X4]",PAINS,6,0
-404,4,dhp_bis_amino_CN(19),"[#6]=,:[#6]C1C(C#N)=C(N)SC(N)=C1C#N",PAINS,6,0
-405,4,het_6_tetrazine(18),"[#7]~[#6]:1:[#7]:[#7]:[#6](:[$([#7]),$([#6]-[#1]),$([#6]-[#7]-[#1])]:[$([#7]),$([#6]-[#7])]:1)-[$([#7]-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6,0
-406,4,ene_one_hal(17),"[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]",PAINS,6,0
-407,4,cyano_imine_B(17),N#CC(C#N)=NNc1ccccc1,PAINS,6,0
-408,4,thiaz_ene_B(17),"[#6]NC(=O)-!@[#6]1=,:[#6]([$([N]),$(NC(=O)[#6]:[#6])])[#7]([$([#6;H2]-[#6;H1]=[#6;H2]),$([#6]=,:[#6])])[#6](=S)[#16]1",PAINS,6,0
-409,4,ene_rhod_B(16),"[H]C([$([#6]-[#35]),$([#6]:[#6](-[#1]):[#6](-[F,Cl,Br,I]):[#6]:[#6]-[F,Cl,Br,I]),$([#6]:[#6](-[#1]):[#6](-[#1]):[#6]-[#16]-[#6](-[#1])-[#1]),$([#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-[#8]-[#6;H2]),$([#6]:1:[#6](-[#6;H2]):[#7](-[#6;H2]):[#6](-[#6;H2]):[#6]:1)])=C1SC(=O)[N]C1=O",PAINS,6,0
-410,4,thio_carbonate_A(15),"[#7,#8]c2ccc1oc(=[#8,#16])sc1c2",PAINS,6,0
-411,4,anil_di_alk_furan_A(15),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-c:1:c(:c(:c(:o:1)-[#6]=[#7]-[#7](-[#1])-[#6]=[!#6&!#1])-[#1])-[#1],PAINS,6,0
-412,4,ene_five_het_F(15),O=[#6]2[#6](=!@[#6]c1ccccc1)Sc3ccccc23,PAINS,6,0
-413,4,anil_di_alk_F(14),"c:1:c:c(:c:c:c:1-[#6;X4]-c:2:c:c:c(:c:c:2)-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])])-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])]",PAINS,6,0
-414,4,hzone_anil(14),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#6]=[#7]-[#7]-[#1],PAINS,6,0
-415,4,het_5_pyrazole_OH(14),"c1(nn(c(c1-[$([#1]),$([#6]-[#1])])-[#8]-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6;X4]",PAINS,6,0
-416,4,het_thio_666_A(13),"c:2(:c:1-[#16]-c:3:c(-[#7](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])-[$([#1]),$([#6](-[#1])(-[#1])-[#1]),$([#6](-[#1])(-[#1])-[#6]-[#1])]):c(:c(~[$([#1]),$([#6]:[#6])]):c(:c:3-[#1])-[$([#1]),$([#7](-[#1])-[#1]),$([#8]-[#6;X4])])~[$([#1]),$([#7](-[#1])-[#6;X4]),$([#6]:[#6])])-[#1]",PAINS,6,0
-417,4,styrene_A(13),[#6]-2-[#6]-c:1:c(:c:c:c:c:1)-[#6](-c:3:c:c:c:c:c-2:3)=[#6]-[#6],PAINS,6,0
-418,4,ene_rhod_C(13),"[#16]-1-[#6](=[#7]-[#6]:[#6])-[#7](-[$([#1]),$([#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]),$([#6]:[#6])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[$([#6]:[#6]:[#6]-[#17]),$([#6]:[!#6&!#1])]",PAINS,6,0
-419,4,dhp_amino_CN_A(13),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]=[#6])-[#8]-1)-[#6](-[#1])-[#1],PAINS,6,0
-420,4,cyano_imine_C(12),[#8]=[#16](=[#8])-[#6](-[#6]#[#7])=[#7]-[#7]-[#1],PAINS,6,0
-421,4,thio_urea_A(12),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2,PAINS,6,0
-422,4,thiophene_amino_B(12),"c:1:c(:c:c:c:c:1)-[#7](-[#1])-c:2:c(:c(:c(:s:2)-[$([#6]=[#8]),$([#6]#[#7]),$([#6](-[#8]-[#1])=[#6])])-[#7])-[$([#6]#[#7]),$([#6](:[#7]):[#7])]",PAINS,6,0
-423,4,keto_keto_beta_B(12),[#6;X4]-1-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6,0
-424,4,keto_phenone_A(11),c:1:c-3:c(:c:c:c:1)-[#6]:2:[#7]:[!#1]:[#6]:[#6]:[#6]:2-[#6]-3=[#8],PAINS,6,0
-425,4,cyano_pyridone_C(11),[#6]-1(-[#6](=[#6](-[#6]#[#7])-[#6](~[#8])~[#7]~[#6]-1~[#8])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6]:[#6],PAINS,6,0
-426,4,thiaz_ene_C(11),"[#6]-1(=[#6](-!@[#6]=[#7])-[#16]-[#6](-[#7]-1)=[#8])-[$([F,Cl,Br,I]),$([#7+](:[#6]):[#6])]",PAINS,6,0
-427,4,hzone_thiophene_A(11),"c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):[!#6&!#1]:[#6](:[#6]:2-[#6](-[#1])=[#7]-[#7](-[#1])-[$([#6]:1:[#7]:[#6]:[#6](-[#1]):[#16]:1),$([#6]:[#6](-[#1]):[#6]-[#1]),$([#6]:[#7]:[#6]:[#7]:[#6]:[#7]),$([#6]:[#7]:[#7]:[#7]:[#7])])-[$([#1]),$([#8]-[#1]),$([#6](-[#1])-[#1])]",PAINS,6,0
-428,4,ene_quin_methide(10),"[!#1]:[!#1]-[#6](-[$([#1]),$([#6]#[#7])])=[#6]-1-[#6]=:[#6]-[#6](=[$([#8]),$([#7;!R])])-[#6]=:[#6]-1",PAINS,6,0
-429,4,het_thio_676_A(10),"c:1:c:c-2:c(:c:c:1)-[#6]-[#6](-c:3:c(-[#16]-2):c(:c(-[#1]):c(:c:3-[#1])-[$([#1]),$([#8]),$([#16;X2]),$([#6;X4]),$([#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])])])-[#1])-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])]",PAINS,6,0
-430,4,ene_five_het_G(10),"[#6]-1(=[#6])-[#6](-[#7,#16,#8][#6](-[!#1])=[#7]-1)=[#8]",PAINS,6,0
-431,4,acyl_het_A(9),[#7+](:[!#1]:[!#1]:[!#1])-[!#1]=[#8],PAINS,6,0
-432,4,anil_di_alk_G(9),[#6;X4]-[#7](-[#6;X4])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6]2=:[#7][#6]:[#6]:[!#1]2)-[#1])-[#1],PAINS,6,0
-433,4,dhp_keto_A(9),"[#7]-1(-[$([#6;X4]),$([#1])])-[#6]=:[#6](-[#6](=[#8])-[#6]:[#6]:[#6])-[#6](-[#6])-[#6](=[#6]-1-[#6](-[#1])(-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6,0
-434,4,thio_urea_B(9),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2,PAINS,6,0
-435,4,anil_alk_bim(9),c:1:3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1]):n:c(-[#1]):n:3-[#6],PAINS,6,0
-436,4,imine_imine_A(9),c:1:c:c-2:c(:c:c:1)-[#7]=[#6]-[#6]-2=[#7;!R],PAINS,6,0
-437,4,thio_urea_C(9),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](=[#8])-[#6]-2:[!#1]:[!#6&!#1]:[#6]:[#6]-2,PAINS,6,0
-438,4,imine_one_fives_B(9),[#7;!R]=[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[#16]-2,PAINS,6,0
-439,4,dhp_amino_CN_B(9),"[$([#7](-[#1])-[#1]),$([#8]-[#1])]-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-c:1:c(:n(-[#6]):n:c:1)-[#8]-2",PAINS,6,0
-440,4,anil_OC_no_alk_A(8),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:n:c:1-[#1])-[#8]-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6,0
-441,4,het_thio_66_one(8),[#6](=[#8])-[#6]-1=[#6]-[#7]-c:2:c(-[#16]-1):c:c:c:c:2,PAINS,6,0
-442,4,styrene_B(8),"c:1:c:c-2:c(:c:c:1)-[#6](-c:3:c(-[$([#16;X2]),$([#6;X4])]-2):c:c:c(:c:3)-[$([#1]),$([#17]),$([#6;X4])])=[#6]-[#6]",PAINS,6,0
-443,4,het_thio_5_A(8),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:c(:c(:n:1-!@[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)-[#1],PAINS,6,0
-444,4,anil_di_alk_ene_A(8),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6](-[#1])-c:1:c(:c:c:c:c:1)-[#16;X2]-c:3:c-2:c:c:c:c:3,PAINS,6,0
-445,4,ene_rhod_D(8),"[#16]-1-[#6](=!@[#7]-[$([#1]),$([#7](-[#1])-[#6]:[#6])])-[#7](-[$([#1]),$([#6]:[#7]:[#6]:[#6]:[#16])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[#6]:[#6]-[$([#17]),$([#8]-[#6]-[#1])]",PAINS,6,0
-446,4,ene_rhod_E(8),[#16]-1-[#6](=[#8])-[#7]-[#6](=[#16])-[#6]-1=[#6](-[#1])-[#6]:[#6],PAINS,6,0
-447,4,anil_OH_alk_A(8),c:1:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1])-[#1],PAINS,6,0
-448,4,pyrrole_C(8),n1(-[#6;X4])c(c(-[#1])c(c1-[#6]:[#6])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-449,4,thio_urea_D(8),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2,PAINS,6,0
-450,4,thiaz_ene_D(8),[#7](-c:1:c:c:c:c:c:1)-c2[n+]c(cs2)-c:3:c:c:c:c:c:3,PAINS,6,0
-451,4,ene_rhod_F(8),n:1:c:c:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-2-[#6](=[#8])-[#7]-[#6](=[!#6&!#1])-[#7]-2,PAINS,6,0
-452,4,thiaz_ene_E(8),"[#6]-1(=[#6](-[#6](-[#1])(-[#6])-[#6])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6](-[#1])-[#1])])=[#8])-[#16]-[#6;R]",PAINS,6,0
-453,4,het_65_B(7),[!#1]:1:[!#1]-2:[!#1](:[!#1]:[!#1]:[!#1]:1)-[#7](-[#1])-[#7](-[#6]-2=[#8])-[#6],PAINS,6,0
-454,4,keto_keto_beta_C(7),c:1:c:c-2:c(:c:c:1)-[#6](=[#6](-[#6]-2=[#8])-[#6])-[#8]-[#1],PAINS,6,0
-455,4,het_66_A(7),c:2:c:c:1:n:n:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6]=[#8],PAINS,6,0
-456,4,thio_urea_E(7),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:c:c:2,PAINS,6,0
-457,4,thiophene_amino_C(7),"[#6](-[#1])-[#6](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6]-[#6]-[#6]=[#8])-[$([#6](=[#8])-[#8]),$([#6]#[#7])])-[#6](-[#1])-[#1]",PAINS,6,0
-458,4,hzone_phenone(7),"[#6](-c:1:c(:c(:c(:c:c:1-[#1])-[$([#6;X4]),$([#1])])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[$([#1]),$([#17])])-[#1])-[#1])=[$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#7](-[#1])-[#6](=[#7]-[#1])-[#7](-[#1])-[#1]),$([#6](-[#1])-[#7])]",PAINS,6,0
-459,4,ene_rhod_G(7),[#8](-[#1])-[#6](=[#8])-c:1:c:c(:c:c:c:1)-[#6]:[!#1]:[#6]-[#6](-[#1])=[#6]-2-[#6](=[!#6&!#1])-[#7]-[#6](=[!#6&!#1])-[!#6&!#1]-2,PAINS,6,0
-460,4,ene_cyano_B(7),[#6]-1(=[#6]-[#6](-c:2:c:c(:c(:n:c-1:2)-[#7](-[#1])-[#1])-[#6]#[#7])=[#6])-[#6]#[#7],PAINS,6,0
-461,4,dhp_amino_CN_C(7),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]:[#6])-[#8]-1)-[#6]#[#7],PAINS,6,0
-462,4,het_5_A(7),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6]=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6,0
-463,4,ene_five_het_H(6),[#7]-1=[#6]-[#6](-[#6](-[#7]-1)=[#16])=[#6],PAINS,6,0
-464,4,thio_amide_A(6),c1(coc(c1-[#1])-[#6](=[#16])-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[!#1]-[#6](-[#1])(-[#1])-[#6]-2(-[#1])-[#1])-[#1],PAINS,6,0
-465,4,ene_cyano_C(6),[#6]=[#6](-[#6]#[#7])-[#6](=[#7]-[#1])-[#7]-[#7],PAINS,6,0
-466,4,hzone_furan_A(6),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6,0
-467,4,anil_di_alk_H(6),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[!#1]:[#6]:[#6]:[#6]:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-468,4,het_65_C(6),"n2c1ccccn1c(c2-[$([#6](-[!#1])=[#6](-[#1])-[#6]:[#6]),$([#6]:[#8]:[#6])])-[#7]-[#6]:[#6]",PAINS,6,0
-469,4,thio_urea_F(6),[#6]-1-[#7](-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#7]-1-[#1],PAINS,6,0
-470,4,ene_five_het_I(6),c:1(:c:c:c:o:1)-[#6](-[#1])=!@[#6]-3-[#6](=[#8])-c:2:c:c:c:c:c:2-[!#6&!#1]-3,PAINS,6,0
-471,4,keto_keto_gamma(5),[#8]=[#6]-1-[#6;X4]-[#6]-[#6](=[#8])-c:2:c:c:c:c:c-1:2,PAINS,6,0
-472,4,quinone_B(5),c:1:c:c-2:c(:c:c:1)-[#6](-c3cccc4noc-2c34)=[#8],PAINS,6,0
-473,4,het_6_pyridone_OH(5),[#8](-[#1])-c:1:n:c(:c:c:c:1)-[#8]-[#1],PAINS,6,0
-474,4,hzone_naphth_A(5),"c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6]=[#7]-[#7](-[#1])-[$([#6]:[#6]),$([#6]=[#16])])-[#1])-[#1])-[#1])-[#1])-[#1]",PAINS,6,0
-475,4,thio_ester_A(5),[#6]-1=[#6](-[#16]-[#6](-[#6]=[#6]-1)=[#16])-[#7],PAINS,6,0
-476,4,ene_misc_A(5),[#6]-1=[#6]-[#6](-[#8]-[#6]-1-[#8])(-[#8])-[#6],PAINS,6,0
-477,4,cyano_pyridone_D(5),[#8]=[#6]-1-[#6](=[#6]-[#6](=[#7]-[#7]-1)-[#6]=[#8])-[#6]#[#7],PAINS,6,0
-478,4,het_65_Db(5),C3=CN1C(=NC(=C1-[#7]-[#6])-c:2:c:c:c:c:n:2)C=C3,PAINS,6,0
-479,4,het_666_A(5),[#7]N-2-c:1:c:c:c:c:c:1-[#6](=[#7])-c:3:c-2:c:c:c:c:3,PAINS,6,0
-480,4,diazox_sulfon_B(5),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](-[#1])-[#6](-[#1])-[#7](-[#6](-[#1])-[#6]-2-[#1])-[#16](=[#8])(=[#8])-c:3:c:c:c:c:4:n:s:n:c:3:4,PAINS,6,0
-481,4,anil_NH_alk_A(5),c:1(:c(:c-2:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#7]-2-[#1])=[#8])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-482,4,sulfonamide_C(5),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c(:c:c:2)-[!#6&!#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-483,4,het_thio_N_55(5),[#6](-[#1])-[#6]:2:[#7]:[#7](-c:1:c:c:c:c:c:1):[#16]:3:[!#6&!#1]:[!#1]:[#6]:[#6]:2:3,PAINS,6,0
-484,4,keto_keto_beta_D(5),[#8]=[#6]-[#6]=[#6](-[#1])-[#8]-[#1],PAINS,6,0
-485,4,ene_rhod_H(5),[#7]-1-2-[#6](=[#7]-[#6](=[#8])-[#6](=[#7]-1)-[#6](-[#1])-[#1])-[#16]-[#6](=[#6](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6,0
-486,4,imine_ene_A(5),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7](-[#6;X4])-[#6;X4],PAINS,6,0
-487,4,het_thio_656a(5),c:1:3:c(:c:c:c:c:1):c:2:n:n:c(-[#16]-[#6](-[#1])(-[#1])-[#6]=[#8]):n:c:2:n:3-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1],PAINS,6,0
-488,4,pyrrole_D(5),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#1])-[#1])-[#1],PAINS,6,0
-489,4,pyrrole_E(5),n2(-[#6]:1:[!#1]:[!#6&!#1]:[!#1]:[#6]:1-[#1])c(c(-[#1])c(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6,0
-490,4,thio_urea_G(5),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6]([#7;R])[#7;R],PAINS,6,0
-491,4,anisol_A(5),"c:1(:c(:c(:c(:c(:c:1-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[$([#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]),$([#6](-[#1])(-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#1])])-[#1])-[#8]-[#6](-[#1])-[#1]",PAINS,6,0
-492,4,pyrrole_F(5),n2(-[#6]:1:[#6](-[#6]#[#7]):[#6]:[#6]:[!#6&!#1]:1)c(c(-[#1])c(c2)-[#1])-[#1],PAINS,6,0
-493,4,dhp_amino_CN_D(5),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-c:1:c(:c:c:s:1)-[#8]-2,PAINS,6,0
-494,4,thiazole_amine_A(4),[#7](-[#1])-c:1:n:c(:c:s:1)-c:2:c:n:c(-[#7](-[#1])-[#1]):s:2,PAINS,6,0
-495,4,het_6_imidate_A(4),[#7]=[#6]-1-[#7](-[#1])-[#6](=[#6](-[#7]-[#1])-[#7]=[#7]-1)-[#7]-[#1],PAINS,6,0
-496,4,anil_OC_no_alk_B(4),c:1:c(:c:2:c(:c:c:1):c:c:c:c:2)-[#8]-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#7]-[#1])-[#1])-[#1],PAINS,6,0
-497,4,styrene_C(4),c:1:c:c-2:c(:c:c:1)-[#6]-[#16]-c3c(-[#6]-2=[#6])ccs3,PAINS,6,0
-498,4,azulene(4),c:2:c:c:c:1:c(:c:c:c:1):c:c:2,PAINS,6,0
-499,4,furan_acid_A(4),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-500,4,cyano_pyridone_E(4),[!#1]:[#6]-[#6]-1=[#6](-[#1])-[#6](=[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1-[#1])-[#6]:[#8],PAINS,6,0
-501,4,anil_alk_thio(4),[#6]-1-3=[#6](-[#6](-[#7]-c:2:c:c:c:c:c-1:2)(-[#6])-[#6])-[#16]-[#16]-[#6]-3=[!#1],PAINS,6,0
-502,4,anil_di_alk_I(4),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-503,4,het_thio_6_furan(4),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:n:c(:c(:n:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-c:3:c(:c(:c(:o:3)-[#1])-[#1])-[#1],PAINS,6,0
-504,4,anil_di_alk_ene_B(4),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6]-c:1:c(:c:c:c:c:1)-[#6]-2(-[#1])-[#1],PAINS,6,0
-505,4,imine_one_B(4),"[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#7](-[#1])-[$([#7]-[#1]),$([#6]:[#6])]",PAINS,6,0
-506,4,anil_OC_alk_A(4),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):o:c:3:c(-[#1]):c(:c(-[#8]-[#6](-[#1])-[#1]):c(:c:2:3)-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-507,4,ene_five_het_J(4),[#16]=[#6]-1-[#7](-[#1])-[#6]=[#6]-[#6]-2=[#6]-1-[#6](=[#8])-[#8]-[#6]-2=[#6]-[#1],PAINS,6,0
-508,4,pyrrole_G(4),"n2(-c:1:c(:c:c(:c(:c:1)-[#1])-[$([#7](-[#1])-[#1]),$([#6]:[#7])])-[#1])c(c(-[#1])c(c2-[#1])-[#1])-[#1]",PAINS,6,0
-509,4,ene_five_het_K(4),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6]-2-[#6](=[#8])-[!#6&!#1]-[#6]=:[!#1]-2)-[#1])-[#1],PAINS,6,0
-510,4,cyano_ene_amine_B(4),[#6]=[#6]-[#6](-[#6]#[#7])(-[#6]#[#7])-[#6](-[#6]#[#7])=[#6]-[#7](-[#1])-[#1],PAINS,6,0
-511,4,thio_ester_B(4),"[#6]:[#6]-[#6](=[#16;X1])-[#16;X2]-[#6](-[#1])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6,0
-512,4,ene_five_het_L(4),[#8]=[#6]-3-[#6](=!@[#6](-[#1])-c:1:c:n:c:c:1)-c:2:c:c:c:c:c:2-[#7]-3,PAINS,6,0
-513,4,hzone_thiophene_B(4),"c:1(:c(:c(:c(:s:1)-[#1])-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])=[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2",PAINS,6,0
-514,4,dhp_amino_CN_E(4),[#6](-[#1])(-[#1])-[#16;X2]-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1,PAINS,6,0
-515,4,het_5_B(4),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#7](-[#1])-[#6]=[#8])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6,0
-516,4,imine_imine_B(3),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7]=[#6],PAINS,6,0
-517,4,thiazole_amine_B(3),c:1(:c:c:c(:c:c:1)-[#6](-[#1])-[#1])-c:2:c(:s:c(:n:2)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1],PAINS,6,0
-518,4,imine_ene_one_A(3),[#6]-2(-[#6]=[#7]-c:1:c:c:c:c:c:1-[#7]-2)=[#6](-[#1])-[#6]=[#8],PAINS,6,0
-519,4,diazox_A(3),[#8](-c:1:c:c:c:c:c:1)-c:3:c:c:2:n:o:n:c:2:c:c:3,PAINS,6,0
-520,4,ene_one_A(3),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7]-c:2:c:c:c:3:c(:c:2):c:c:c(:n:3)-[#7](-[#6])-[#6])=[#8],PAINS,6,0
-521,4,anil_OC_no_alk_C(3),[#7](-[#1])(-[#1])-c:1:c(:c:c:c:n:1)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6,0
-522,4,thiazol_SC_A(3),[#6]-[#16;X2]-c:1:n:c(:c:s:1)-[#1],PAINS,6,0
-523,4,het_666_B(3),c:1:c-3:c(:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2-[#8]-3)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-524,4,furan_A(3),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6]#[#6]-[#6;X4],PAINS,6,0
-525,4,colchicine_A(3),[#6]-1(-[#6](=[#6]-[#6]=[#6]-[#6]=[#6]-1)-[#7]-[#1])=[#7]-[#6],PAINS,6,0
-526,4,thiophene_C(3),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-[#6](=[#8])-c:1:c(-[#16;X2]):s:c(:c:1)-[$([#6]#[#7]),$([#6]=[#8])]",PAINS,6,0
-527,4,anil_OC_alk_B(3),"c:1:3:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[F,Cl,Br,I])-[#6]-2=[#8])-[#7](-[#1])-[#6]:[#6]:[#6]:[#6](-[#8]-[#6](-[#1])-[#1]):[#6]:[#6]:3",PAINS,6,0
-528,4,het_thio_66_A(3),c:1-2:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]=[#6]-2-[#16;X2]-[#6](-[#1])(-[#1])-[#6](=[#8])-c:3:c:c:c:c:c:3,PAINS,6,0
-529,4,rhod_sat_B(3),[#7]-2(-c:1:c:c:c:c:c:1-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[!#1]:[!#1]:[!#1])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6,0
-530,4,ene_rhod_I(3),[#7]-2(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](=[#6](-[#1])-c:1:c:c:c:c(:c:1)-[Br])-[#6]-2=[#8],PAINS,6,0
-531,4,keto_thiophene(3),c:1(:c(:c:2:c(:s:1):c:c:c:c:2)-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-532,4,imine_imine_C(3),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])=[#7]-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#6](-[#1])-[#1])-[#6]:[#6],PAINS,6,0
-533,4,het_65_pyridone_A(3),"[#6]:2(:[#6](-[#6](-[#1])-[#1]):[#6]-1:[#6](-[#7]=[#6](-[#7](-[#6]-1=[!#6&!#1;X1])-[#6](-[#1])-[$([#6](=[#8])-[#8]),$([#6]:[#6])])-[$([#1]),$([#16]-[#6](-[#1])-[#1])]):[!#6&!#1;X2]:2)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]",PAINS,6,0
-534,4,thiazole_amine_C(3),"c:1(:n:c(:c(-[#1]):s:1)-[!#1]:[!#1]:[!#1](-[$([#8]-[#6](-[#1])-[#1]),$([#6](-[#1])-[#1])]):[!#1]:[!#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(-[#1]):c(:c(-[#1]):o:2)-[#1]",PAINS,6,0
-535,4,het_thio_pyr_A(3),n:1:c(:c(:c(:c(:c:1-[#16]-[#6]-[#1])-[#6]#[#7])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]:[#6],PAINS,6,0
-536,4,melamine_A(3),"c:1:4:c(:n:c(:n:c:1-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#7](-[#1])-c:3:c:c(:c(:c:c:3-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])]):c:c:c:c:4",PAINS,6,0
-537,4,anil_NH_alk_B(3),[#7](-[#1])(-[#6]:1:[#6]:[#6]:[!#1]:[#6]:[#6]:1)-c:2:c:c:c(:c:c:2)-[#7](-[#1])-[#6]-[#1],PAINS,6,0
-538,4,rhod_sat_C(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#7]-[#6]=[#8])-[#16]-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6,0
-539,4,thiophene_amino_D(3),[#6]=[#6]-[#6](=[#8])-[#7]-c:1:c(:c(:c(:s:1)-[#6](=[#8])-[#8])-[#6]-[#1])-[#6]#[#7],PAINS,6,0
-540,4,anil_OC_alk_C(3),"[$([#1]),$([#6](-[#1])-[#1])]-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:n:2",PAINS,6,0
-541,4,het_thio_65_A(3),[#6](-[#1])(-[#1])-[#16;X2]-c3nc1c(n(nc1-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)nn3,PAINS,6,0
-542,4,het_thio_656b(3),[#6]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-c:3:n:n:c:2:c:1:c(:c(:c(:c(:c:1:n(:c:2:n:3)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-543,4,thiazole_amine_D(3),"s:1:c(:[n+](-[#6](-[#1])-[#1]):c(:c:1-[#1])-[#6])-[#7](-[#1])-c:2:c:c:c:c:c:2[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6,0
-544,4,thio_urea_H(3),[#6]-2(=[#16])-[#7](-[#6](-[#1])(-[#1])-c:1:c:c:c:o:1)-[#6](=[#7]-[#7]-2-[#1])-[#6]:[#6],PAINS,6,0
-545,4,cyano_pyridone_F(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-[#6]#[#7])-[#6]#[#7],PAINS,6,0
-546,4,rhod_sat_D(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6,0
-547,4,ene_rhod_J(3),"[#6](-[#1])(-[#1])-[#7]-2-[#6](=[$([#16]),$([#7])])-[!#6&!#1]-[#6](=[#6]-1-[#6](=[#6](-[#1])-[#6]:[#6]-[#7]-1-[#6](-[#1])-[#1])-[#1])-[#6]-2=[#8]",PAINS,6,0
-548,4,imine_phenol_A(3),[#6]=[#7;!R]-c:1:c:c:c:c:c:1-[#8]-[#1],PAINS,6,0
-549,4,thio_carbonate_B(3),[#8]=[#6]-2-[#16]-c:1:c(:c(:c:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#8]-2,PAINS,6,0
-550,4,het_thio_N_5A(3),[#7]=[#6]-1-[#7]=[#6]-[#7]-[#16]-1,PAINS,6,0
-551,4,het_thio_N_65A(3),[#7]-2-[#16]-[#6]-1=[#6](-[#6]:[#6]-[#7]-[#6]-1)-[#6]-2=[#16],PAINS,6,0
-552,4,anil_di_alk_J(3),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]=[#6](-[#6])-[#6]:[#6])-[#1])-[#1],PAINS,6,0
-553,4,pyrrole_H(3),n1-2cccc1-[#6]=[#7](-[#6])-[#6]-[#6]-2,PAINS,6,0
-554,4,ene_cyano_D(3),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6](-[#16])-[#16],PAINS,6,0
-555,4,cyano_cyano_B(3),[#6]-1(-[#6]#[#7])(-[#6]#[#7])-[#6](-[#1])(-[#6](=[#8])-[#6])-[#6]-1-[#1],PAINS,6,0
-556,4,ene_five_het_M(3),"[#6]-1=:[#6]-[#6](-[#6](-[$([#8]),$([#16])]-1)=[#6]-[#6]=[#8])=[#8]",PAINS,6,0
-557,4,cyano_ene_amine_C(3),[#6]:[#6]-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](-[#6]#[#7])=[#6](-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-558,4,thio_urea_I(3),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#7]=[#6]-c:2:c:n:c:c:2,PAINS,6,0
-559,4,dhp_amino_CN_F(3),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-c:1:c:c:c:s:1)-[#6](=[#6](-[#6](-[#1])-[#1])-[#8]-2)-[#6](=[#8])-[#8]-[#6],PAINS,6,0
-560,4,anthranil_acid_B(3),c:1:c-3:c(:c:c(:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#8]-[#1])-[#6](-[#7](-[#6]-3=[#8])-[#6](-[#1])-[#1])=[#8],PAINS,6,0
-561,4,diazox_B(3),[Cl]-c:2:c:c:1:n:o:n:c:1:c:c:2,PAINS,6,0
-562,4,thio_aldehyd_A(3),[#6]-[#6](=[#16])-[#1],PAINS,6,0
-563,4,thio_amide_B(2),[#6;X4]-[#7](-[#1])-[#6](-[#6]:[#6])=[#6](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6,0
-564,4,imidazole_B(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-c1cn(cn1)-[#1],PAINS,6,0
-565,4,thiazole_amine_E(2),[#8]=[#6]-[#7](-[#1])-c:1:c(-[#6]:[#6]):n:c(-[#6](-[#1])(-[#1])-[#6]#[#7]):s:1,PAINS,6,0
-566,4,thiazole_amine_F(2),[#6](-[#1])-[#7](-[#1])-c:1:n:c(:c:s:1)-c2cnc3n2ccs3,PAINS,6,0
-567,4,thio_ester_C(2),[#7]-1-[#6](=[#8])-[#6](=[#6](-[#6])-[#16]-[#6]-1=[#16])-[#1],PAINS,6,0
-568,4,ene_one_B(2),[#6](-[#16])(-[#7])=[#6](-[#1])-[#6]=[#6](-[#1])-[#6]=[#8],PAINS,6,0
-569,4,quinone_C(2),[#8]=[#6]-3-c:1:c(:c:c:c:c:1)-[#6]-2=[#6](-[#8]-[#1])-[#6](=[#8])-[#7]-c:4:c-2:c-3:c:c:c:4,PAINS,6,0
-570,4,keto_naphthol_A(2),"c:1:2:c:c:c:c(:c:1:c(:c:c:c:2)-[$([#8]-[#1]),$([#7](-[#1])-[#1])])-[#6](-[#6])=[#8]",PAINS,6,0
-571,4,thio_amide_C(2),[#6](-[#1])(-c:1:c:c:c:c:c:1)(-c:2:c:c:c:c:c:2)-[#6](=[#16])-[#7]-[#1],PAINS,6,0
-572,4,phthalimide_misc(2),[#7]-2(-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1])-[#6]-2=[#8])-c:3:c(:c:c(:c(:c:3)-[#1])-[#8])-[#1],PAINS,6,0
-573,4,sulfonamide_D(2),c:1:c:c(:c:c:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#7](-[#1])-[#16](=[#8])=[#8],PAINS,6,0
-574,4,anil_NH_alk_C(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]-[#1],PAINS,6,0
-575,4,het_65_E(2),s1c(c(c-2c1-[#7](-[#1])-[#6](-[#6](=[#6]-2-[#1])-[#6](=[#8])-[#8]-[#1])=[#8])-[#7](-[#1])-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6,0
-576,4,hzide_naphth(2),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#7](-[#1])-[#6]=[#8])-[#1])-[#1])-[#1],PAINS,6,0
-577,4,anisol_B(2),[#6](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6;X4])-[#1],PAINS,6,0
-578,4,thio_carbam_ene(2),[#6]-1=[#6]-[#7]-[#6](-[#16]-[#6;X4]-1)=[#16],PAINS,6,0
-579,4,thio_amide_D(2),[#6](-[#7](-[#6]-[#1])-[#6]-[#1]):[#6]-[#7](-[#1])-[#6](=[#16])-[#6]-[#1],PAINS,6,0
-580,4,het_65_Da(2),n2nc(c1cccc1c2-[#6])-[#6],PAINS,6,0
-581,4,thiophene_D(2),s:1:c(:c(-[#1]):c(:c:1-[#6](=[#8])-[#7](-[#1])-[#7]-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6,0
-582,4,het_thio_6_ene(2),[#6]-1:[#6]-[#7]=[#6]-[#6](=[#6]-[#7]-[#6])-[#16]-1,PAINS,6,0
-583,4,cyano_keto_A(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#6]#[#7])-[#6](=[#8])-[#6],PAINS,6,0
-584,4,anthranil_acid_C(2),"c2(c(-[#7](-[#1])-[#1])n(-c:1:c:c:c:c:c:1-[#6](=[#8])-[#8]-[#1])nc2-[#6]=[#8])-[$([#6]#[#7]),$([#6]=[#16])]",PAINS,6,0
-585,4,naphth_amino_C(2),c:2:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#7](-[#7]=[#6]-3)-[#1],PAINS,6,0
-586,4,naphth_amino_D(2),c:2:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#7]-[#7]=[#7]-3,PAINS,6,0
-587,4,thiazole_amine_G(2),c1csc(n1)-[#7]-[#7]-[#16](=[#8])=[#8],PAINS,6,0
-588,4,het_66_B(2),c:1:c:c:c:2:c(:c:1):n:c(:n:c:2)-[#7](-[#1])-[#6]-3=[#7]-[#6](-[#6]=[#6]-[#7]-3-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-589,4,coumarin_A(2),c:1-3:c(:c(:c(:c(:c:1)-[#8]-[#6]-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-3,PAINS,6,0
-590,4,anthranil_acid_D(2),c:12:c(:c:c:c:n:1)c(c(-[#6](=[#8])~[#8;X1])s2)-[#7](-[#1])-[#1],PAINS,6,0
-591,4,het_66_C(2),c:1:2:n:c(:c(:n:c:1:[#6]:[#6]:[#6]:[!#1]:2)-[#6](-[#1])=[#6](-[#8]-[#1])-[#6])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6],PAINS,6,0
-592,4,thiophene_amino_E(2),c1csc(c1-[#7](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-c2cccs2,PAINS,6,0
-593,4,het_6666_A(2),c:2:c:c:1:n:c:3:c(:n:c:1:c:c:2):c:c:c:4:c:3:c:c:c:c:4,PAINS,6,0
-594,4,sulfonamide_E(2),[#6]:[#6]-[#7](-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-595,4,anil_di_alk_K(2),c:1:c:c(:c:c:c:1-[#7](-[#1])-[#1])-[#7](-[#6;X3])-[#6;X3],PAINS,6,0
-596,4,het_5_C(2),"[#7]-2=[#6](-c:1:c:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])(-[#6](-[#9])(-[#9])-[#9])-[#7]-2-[$([#6]:[#6]:[#6]:[#6]:[#6]:[#6]),$([#6](=[#16])-[#6]:[#6]:[#6]:[#6]:[#6]:[#6])]",PAINS,6,0
-597,4,ene_six_het_B(2),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#6](-[#1])=[#6]-3-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](=[#6](-[#1])-c:2:c:c:c:c:c:2)-[#7]-3-[#1],PAINS,6,0
-598,4,steroid_A(2),[#8]=[#6]-4-[#6]-[#6]-[#6]-3-[#6]-2-[#6](=[#8])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1-[#6]-2-[#6]-[#6]-[#6]-3=[#6]-4,PAINS,6,0
-599,4,het_565_A(2),c:1:2:c:3:c(:c(-[#8]-[#1]):c(:c:1:c(:c:n:2-[#6])-[#6]=[#8])-[#1]):n:c:n:3,PAINS,6,0
-600,4,thio_imine_ium(2),[#6;X4]-[#7+](-[#6;X4]-[#8]-[#1])=[#6]-[#16]-[#6]-[#1],PAINS,6,0
-601,4,anthranil_acid_E(2),[#6]-3(=[#8])-[#6](=[#6](-[#1])-[#7](-[#1])-c:1:c:c:c:c:c:1-[#6](=[#8])-[#8]-[#1])-[#7]=[#6](-c:2:c:c:c:c:c:2)-[#8]-3,PAINS,6,0
-602,4,hzone_furan_B(2),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:c:c:n:c:c:2",PAINS,6,0
-603,4,thiophene_E(2),"c:1(:c(:c(:c(:s:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])-[#6](=[#8])-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6,0
-604,4,ene_misc_B(2),[#6]:[#6]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#6]=[#8])-[#7]-2-[#6](=[#8])-[#6]-1(-[#1])-[#6](-[#1])(-[#1])-[#6]=[#6]-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#6]-2=[#8],PAINS,6,0
-605,4,het_thio_5_B(2),[#6]-1(-[#6]=[#8])(-[#6]:[#6])-[#16;X2]-[#6]=[#7]-[#7]-1-[#1],PAINS,6,0
-606,4,thiophene_amino_F(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#6]#[#7])-[#6]:3:[!#1]:[!#1]:[!#1]:[!#1]:[!#1]:3,PAINS,6,0
-607,4,anil_OC_alk_D(2),"[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2-[$([#6](-[#1])-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6,0
-608,4,tert_butyl_A(2),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c:c(:c(:c:1-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])-[#7])-[#1],PAINS,6,0
-609,4,thio_urea_J(2),c:1(:c(:o:c:c:1)-[#6]-[#1])-[#6]=[#7]-[#7](-[#1])-[#6](=[#16])-[#7]-[#1],PAINS,6,0
-610,4,het_thio_65_B(2),[#7](-[#1])-c1nc(nc2nnc(n12)-[#16]-[#6])-[#7](-[#1])-[#6],PAINS,6,0
-611,4,coumarin_B(2),c:1-2:c(:c:c:c:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6](=[#8])-[#8]-2)-[#1],PAINS,6,0
-612,4,thio_urea_K(2),[#6]-2(=[#16])-[#7]-1-[#6]:[#6]-[#7]=[#7]-[#6]-1=[#7]-[#7]-2-[#1],PAINS,6,0
-613,4,thiophene_amino_G(2),[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-c:1:c:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-614,4,anil_NH_alk_D(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c:c:1-[#7](-[#1])-[#6](-[#1])(-[#6])-[#6](-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-615,4,het_thio_5_C(2),[#16]=[#6]-2-[#7](-[#1])-[#7]=[#6](-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#8]-2,PAINS,6,0
-616,4,thio_keto_het(2),[#16]=[#6]-c:1:c:c:c:2:c:c:c:c:n:1:2,PAINS,6,0
-617,4,het_thio_N_5B(2),[#6]~1~[#6](~[#7]~[#7]~[#6](~[#6](-[#1])-[#1])~[#6](-[#1])-[#1])~[#7]~[#16]~[#6]~1,PAINS,6,0
-618,4,quinone_D(2),[#6]-1(-[#6]=:[#6]-[#6]=:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1],PAINS,6,0
-619,4,anil_di_alk_furan_B(2),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(-[#1]):c(:c(:o:1)-[#6](-[#1])=[#6]-[#6]#[#7])-[#1],PAINS,6,0
-620,4,ene_six_het_C(2),[#8]=[#6]-1-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7]-[#6]-1=[#6]-[#1],PAINS,6,0
-621,4,het_55_A(2),[#6]:[#6]-[#7]:2:[#7]:[#6]:1-[#6](-[#1])(-[#1])-[#16;X2]-[#6](-[#1])(-[#1])-[#6]:1-[#6]:2-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])=[#6]-[#1],PAINS,6,0
-622,4,het_thio_65_C(2),n:1:c(:n(:c:2:c:1:c:c:c:c:2)-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-[#6](-[#1])=[#6]-[#1],PAINS,6,0
-623,4,hydroquin_A(2),c:1(:c:c(:c(:c:c:1)-[#8]-[#1])-[#6](=!@[#6]-[#7])-[#6]=[#8])-[#8]-[#1],PAINS,6,0
-624,4,anthranil_acid_F(2),c:1(:c:c(:c(:c:c:1)-[#7](-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1])-[#8]-[#1],PAINS,6,0
-625,4,pyrrole_I(2),n2(-[#6](-[#1])-[#1])c-1c(-[#6]:[#6]-[#6]-1=[#8])cc2-[#6](-[#1])-[#1],PAINS,6,0
-626,4,thiophene_amino_H(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-627,4,imine_one_fives_C(2),[#6]:[#6]-[#7;!R]=[#6]-2-[#6](=[!#6&!#1])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6,0
-628,4,keto_phenone_zone_A(2),c:1:c:c:c:c:c:1-[#6](=[#8])-[#7](-[#1])-[#7]=[#6]-3-c:2:c:c:c:c:c:2-c:4:c:c:c:c:c-3:4,PAINS,6,0
-629,4,dyes7A(2),c:1:c(:c:c:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=!@[#6](-[#1])-[#6](-[#1])=[#6]-[#6]=@[#7]-c:2:c:c:c:c:c:2,PAINS,6,0
-630,4,het_pyridiniums_B(2),[#6]:1:2:[!#1]:[#7+](:[!#1]:[#6](:[!#1]:1:[#6]:[#6]:[#6]:[#6]:2)-[*])~[#6]:[#6],PAINS,6,0
-631,4,het_5_D(2),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#16]-[#6])-[#6]-2=[#8],PAINS,6,0
-632,4,thiazole_amine_H(1),c:1:c:c:c(:c:c:1-[#7](-[#1])-c2nc(c(-[#1])s2)-c:3:c:c:c(:c:c:3)-[#6](-[#1])(-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-633,4,thiazole_amine_I(1),[#6](-[#1])(-[#1])-[#7](-[#1])-[#6]=[#7]-[#7](-[#1])-c1nc(c(-[#1])s1)-[#6]:[#6],PAINS,6,0
-634,4,het_thio_N_5C(1),[#6]:[#6]-[#7](-[#1])-[#6](=[#8])-c1c(snn1)-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-635,4,sulfonamide_F(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6,0
-636,4,thiazole_amine_J(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6,0
-637,4,het_65_F(1),s2c:1:n:c:n:c(:c:1c(c2-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7]-[#7]=[#6]-c3ccco3,PAINS,6,0
-638,4,keto_keto_beta_E(1),[#6](=[#8])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6](-[#8]-[#1])=[#6](-[#1])-[#6](=[#8])-[#6],PAINS,6,0
-639,4,ene_five_one_B(1),c:2(:c:1-[#6](-[#6](-[#6](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])(-[#1])-[#1])=[#8])=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6,0
-640,4,keto_keto_beta_zone(1),[#6]:[#6]-[#7](-[#1])-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-641,4,thio_urea_L(1),[#6;X4]-[#16;X2]-[#6](=[#7]-[!#1]:[!#1]:[!#1]:[!#1])-[#7](-[#1])-[#7]=[#6],PAINS,6,0
-642,4,het_thio_urea_ene(1),[#6]-1(=[#7]-[#7](-[#6](-[#16]-1)=[#6](-[#1])-[#6]:[#6])-[#6]:[#6])-[#6]=[#8],PAINS,6,0
-643,4,cyano_amino_het_A(1),c:1(:c(:c:2:c(:n:c:1-[#7](-[#1])-[#1]):c:c:c(:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-[#6]#[#7])-[#6]#[#7],PAINS,6,0
-644,4,tetrazole_hzide(1),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7](-[#1])-[#7](-[#1])-c2nnnn2-[#6])=[#8],PAINS,6,0
-645,4,imine_naphthol_A(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#7]-[#6]:[#6])-[#6](-[#1])-[#1])-[#8]-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-646,4,misc_anisole_A(1),c:1(:c(:c:2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1]):c(:c(:c(:c:2-[#7](-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-647,4,het_thio_665(1),c:1:c:c-2:c(:c:c:1)-[#16]-c3c(-[#7]-2)cc(s3)-[#6](-[#1])-[#1],PAINS,6,0
-648,4,anil_di_alk_L(1),c:1:c:c:c-2:c(:c:1)-[#6](-[#6](-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-4-[#6](-c:3:c:c:c:c:c:3-[#6]-4=[#8])=[#8])(-[#1])-[#1])(-[#1])-[#1],PAINS,6,0
-649,4,colchicine_B(1),c:1(:c:c:c(:c:c:1)-[#6]-3=[#6]-[#6](-c2cocc2-[#6](=[#6]-3)-[#8]-[#1])=[#8])-[#16]-[#6](-[#1])-[#1],PAINS,6,0
-650,4,misc_aminoacid_A(1),[#6;X4]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6,0
-651,4,imidazole_amino_A(1),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#7]=!@[#6])-[#7](-[#1])-[#1],PAINS,6,0
-652,4,phenol_sulfite_A(1),[#6](-c:1:c:c:c(:c:c:1)-[#8]-[#1])(-c:2:c:c:c(:c:c:2)-[#8]-[#1])-[#8]-[#16](=[#8])=[#8],PAINS,6,0
-653,4,het_66_D(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6],PAINS,6,0
-654,4,misc_anisole_B(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c(-[#6](-[#1])-[#1])c:c:2,PAINS,6,0
-655,4,tetrazole_A(1),[#6](-[#1])(-[#1])-c1nnnn1-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-656,4,het_65_G(1),[#6]-2(=[#7]-c1c(c(nn1-[#6](-[#6]-2(-[#1])-[#1])=[#8])-[#7](-[#1])-[#1])-[#7](-[#1])-[#1])-[#6],PAINS,6,0
-657,4,misc_trityl_A(1),[#6](-[#6]:[#6])(-[#6]:[#6])(-[#6]:[#6])-[#16]-[#6]:[#6]-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-658,4,misc_pyridine_OC(1),[#8]=[#6](-c:1:c(:c(:n:c(:c:1-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-659,4,het_6_hydropyridone(1),[#7]-1=[#6](-[#7](-[#6](-[#6](-[#6]-1(-[#1])-[#6]:[#6])(-[#1])-[#1])=[#8])-[#1])-[#7]-[#1],PAINS,6,0
-660,4,misc_stilbene(1),[#6]-1(=[#6](-[#6](-[#6](-[#6](-[#6]-1(-[#1])-[#1])(-[#1])-[#6](=[#8])-[#6])(-[#1])-[#6](=[#8])-[#8]-[#1])(-[#1])-[#1])-[#6]:[#6])-[#6]:[#6],PAINS,6,0
-661,4,misc_imidazole(1),[#6](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[Cl])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[Cl])-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c3nc(c(n3-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-662,4,anil_NH_no_alk_A(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-663,4,het_6_imidate_B(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#8]-[#1])-[#6]-2=[#6](-[#8]-[#6](-[#7]=[#7]-2)=[#7])-[#7](-[#1])-[#1],PAINS,6,0
-664,4,anil_alk_B(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-665,4,styrene_anil_A(1),c:1:c:c-3:c(:c:c:1)-c:2:c:c:c(:c:c:2-[#6]-3=[#6](-[#1])-[#6])-[#7](-[#1])-[#1],PAINS,6,0
-666,4,misc_aminal_acid(1),c:1:c:c-2:c(:c:c:1)-[#7](-[#6](-[#8]-[#6]-2)(-[#6](=[#8])-[#8]-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])-[#1],PAINS,6,0
-667,4,anil_no_alk_D(1),n:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6,0
-668,4,anil_alk_C(1),[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#6](-[#6])(-[#6])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-669,4,misc_anisole_C(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6]-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])(-[#1])-[#1])-[#6]:[#6],PAINS,6,0
-670,4,het_465_misc(1),c:1-2:c:c-3:c(:c:c:1-[#8]-[#6]-[#8]-2)-[#6]-[#6]-3,PAINS,6,0
-671,4,anthranil_acid_G(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6,0
-672,4,anil_di_alk_M(1),c:1(:c:4:c(:n:c(:c:1-[#6](-[#1])(-[#1])-[#7]-3-c:2:c(:c(:c(:c(:c:2-[#6](-[#1])(-[#1])-[#6]-3(-[#1])-[#1])-[#1])-[#1])-[#1])-[#1])-[#1]):c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-673,4,anthranil_acid_H(1),c:1:c(:c2:c(:c:c:1)c(c(n2-[#1])-[#6]:[#6])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-674,4,thio_urea_M(1),"[#6]:[#6]-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c(:c(:c(:c(:c:1-[F,Cl,Br,I])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1]",PAINS,6,0
-675,4,thiazole_amine_K(1),n:1:c3:c(:c:c2:c:1nc(s2)-[#7])sc(n3)-[#7],PAINS,6,0
-676,4,het_thio_5_imine_A(1),[#7]=[#6]-1-[#16]-[#6](=[#7])-[#7]=[#6]-1,PAINS,6,0
-677,4,thio_amide_E(1),c:1:c(:n:c:c:c:1)-[#6](=[#16])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-678,4,het_thio_676_B(1),c:1-2:c(:c(:c(:c(:c:1-[#6](-c:3:c(-[#16]-[#6]-2(-[#1])-[#1]):c(:c(-[#1]):c(:c:3-[#1])-[#1])-[#1])-[#8]-[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-679,4,sulfonamide_G(1),[#6](-[#1])(-[#1])(-[#1])-c:1:c(:c(:c(:c(:n:1)-[#7](-[#1])-[#16](-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])(=[#8])=[#8])-[#1])-[#1])-[#1],PAINS,6,0
-680,4,thio_thiomorph_Z(1),[#6](=[#8])(-[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1)-c:2:c(:c(:c(:c(:c:2-[#16]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-681,4,naphth_ene_one_A(1),c:1:c:c:3:c:2:c(:c:1)-[#6](-[#6]=[#6](-c:2:c:c:c:3)-[#8]-[#6](-[#1])-[#1])=[#8],PAINS,6,0
-682,4,naphth_ene_one_B(1),c:1-3:c:2:c(:c(:c:c:1)-[#7]):c:c:c:c:2-[#6](-[#6]=[#6]-3-[#6](-[F])(-[F])-[F])=[#8],PAINS,6,0
-683,4,amino_acridine_A(1),c:1:c:c:c:c:2:c:1:c:c:3:c(:n:2):n:c:4:c(:c:3-[#7]):c:c:c:c:4,PAINS,6,0
-684,4,keto_phenone_B(1),c:1:c-3:c(:c:c:c:1)-[#6]-2=[#7]-[!#1]=[#6]-[#6]-[#6]-2-[#6]-3=[#8],PAINS,6,0
-685,4,hzone_acid_A(1),c:1-3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#7]-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-686,4,sulfonamide_H(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-c:2:n:n:c(:c(:c:2-[#1])-[#1])-[#1],PAINS,6,0
-687,4,het_565_indole(1),c2(c(-[#1])n(-[#6](-[#1])-[#1])c:3:c(:c(:c:1n(c(c(c:1:c2:3)-[#1])-[#1])-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6,0
-688,4,pyrrole_J(1),c1(c-2c(c(n1-[#6](-[#8])=[#8])-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#16]-2)-[#6](-[#1])-[#1],PAINS,6,0
-689,4,pyrazole_amino_B(1),s1ccnc1-c2c(n(nc2-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6,0
-690,4,pyrrole_K(1),c1(c(c(c(n1-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-691,4,anthranil_acid_I(1),c:1:2(:c(:c(:c(:o:1)-[#6])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6]:2-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-692,4,thio_amide_F(1),[!#1]:[#6]-[#6](=[#16])-[#7](-[#1])-[#7](-[#1])-[#6]:[!#1],PAINS,6,0
-693,4,ene_one_C(1),[#6]-1(=[#8])-[#6](-[#6](-[#6]#[#7])=[#6](-[#1])-[#7])-[#6](-[#7])-[#6]=[#6]-1,PAINS,6,0
-694,4,het_65_H(1),c2(c-1n(-[#6](-[#6]=[#6]-[#7]-1)=[#8])nc2-c3cccn3)-[#6]#[#7],PAINS,6,0
-695,4,cyano_imine_D(1),[#8]=[#6]-1-[#6](=[#7]-[#7]-[#6]-[#6]-1)-[#6]#[#7],PAINS,6,0
-696,4,cyano_misc_A(1),c:2(:c:1:c:c:c:c:c:1:n:n:c:2)-[#6](-[#6]:[#6])-[#6]#[#7],PAINS,6,0
-697,4,ene_misc_C(1),c:1:c:c-2:c(:c:c:1)-[#6]=[#6]-[#6](-[#7]-2-[#6](=[#8])-[#7](-[#1])-c:3:c:c(:c(:c:c:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-698,4,het_66_E(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-c:3:c:c:c:c:c:3)-c:4:c:c:c:c:c:4-[#8]-[#1],PAINS,6,0
-699,4,keto_keto_beta_F(1),[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#6](-[#1])-[#6]#[#6],PAINS,6,0
-700,4,misc_naphthimidazole(1),c:1:c:4:c(:c:c2:c:1nc(n2-[#1])-[#6]-[#8]-[#6](=[#8])-c:3:c:c(:c:c(:c:3)-[#7](-[#1])-[#1])-[#7](-[#1])-[#1]):c:c:c:c:4,PAINS,6,0
-701,4,naphth_ene_one_C(1),c:2(:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#6]=[#6]-[#6]-3=[#7])-[#7],PAINS,6,0
-702,4,keto_phenone_C(1),c:2(:c:1:c:c:c:c:c:1:c-3:c(:c:2)-[#6](-c:4:c:c:c:c:c-3:4)=[#8])-[#8]-[#1],PAINS,6,0
-703,4,coumarin_C(1),[#6]-2(-[#6]=[#7]-c:1:c:c(:c:c:c:1-[#8]-2)-[Cl])=[#8],PAINS,6,0
-704,4,thio_est_cyano_A(1),[#6]-1=[#6]-[#7](-[#6](-c:2:c-1:c:c:c:c:2)(-[#6]#[#7])-[#6](=[#16])-[#16])-[#6]=[#8],PAINS,6,0
-705,4,het_65_imidazole(1),c2(nc:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])n2-[#6])-[#7](-[#1])-[#6](-[#7](-[#1])-c:3:c(:c:c:c:c:3-[#1])-[#1])=[#8],PAINS,6,0
-706,4,anthranil_acid_J(1),[#7](-[#1])(-[#6]:[#6])-c:1:c(-[#6](=[#8])-[#8]-[#1]):c:c:c(:n:1)-[#6]:[#6],PAINS,6,0
-707,4,colchicine_het(1),c:1-3:c(:c:c:c:c:1)-[#16]-[#6](=[#7]-[#7]=[#6]-2-[#6]=[#6]-[#6]=[#6]-[#6]=[#6]-2)-[#7]-3-[#6](-[#1])-[#1],PAINS,6,0
-708,4,ene_misc_D(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#6](-[#6])-[#16]-[#6]-2(-[#1])-[#1])-[#6],PAINS,6,0
-709,4,indole_3yl_alk_B(1),c:12:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#6]:[#6])n2-!@[#6]:[#6])-[#6](-[#1])-[#1],PAINS,6,0
-710,4,anil_OH_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c:c:c(:c:c:1-[#8]-[#1])-[#16](=[#8])(=[#8])-[#8]-[#1],PAINS,6,0
-711,4,thiazole_amine_L(1),s:1:c:c:c(:c:1-[#1])-c:2:c:s:c(:n:2)-[#7](-[#1])-[#1],PAINS,6,0
-712,4,pyrazole_amino_A(1),c1c(-[#7](-[#1])-[#1])nnc1-c2c(-[#6](-[#1])-[#1])oc(c2-[#1])-[#1],PAINS,6,0
-713,4,het_thio_N_5D(1),n1nscc1-c2nc(no2)-[#6]:[#6],PAINS,6,0
-714,4,anil_alk_indane(1),c:1(:c:c-3:c(:c:c:1)-[#7]-[#6]-4-c:2:c:c:c:c:c:2-[#6]-[#6]-3-4)-[#6;X4],PAINS,6,0
-715,4,anil_di_alk_N(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#6]-3-[#6](-[#6]#[#7])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#7]-2-3)-[#1],PAINS,6,0
-716,4,het_666_C(1),c:2-3:c(:c:c:1:c:c:c:c:c:1:c:2)-[#7](-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#7]-3)-[#6]:[#6]-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-717,4,ene_one_D(1),[#6](-[#8]-[#1]):[#6]-[#6](=[#8])-[#6](-[#1])=[#6](-[#6])-[#6],PAINS,6,0
-718,4,anil_di_alk_indol(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#1])-[#16](=[#8])=[#8],PAINS,6,0
-719,4,anil_no_alk_indol_A(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#6](-[#1])-[#1])-[#1],PAINS,6,0
-720,4,dhp_amino_CN_G(1),"[#16;X2]-1-[#6]=[#6](-[#6]#[#7])-[#6](-[#6])(-[#6]=[#8])-[#6](=[#6]-1-[#7](-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6,0
-721,4,anil_di_alk_dhp(1),[#7]-2-[#6]=[#6](-[#6]=[#8])-[#6](-c:1:c:c:c(:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6]~3=[#6]-2~[#7]~[#6](~[#16])~[#7]~[#6]~3~[#7],PAINS,6,0
-722,4,anthranil_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#7](-[#1])-[#7](-[#1])-c:3:n:c:c:s:3,PAINS,6,0
-723,4,hzone_anthran_Z(1),c:1:c:2:c(:c:c:c:1):c(:c:3:c(:c:2):c:c:c:c:3)-[#6]=[#7]-[#7](-[#1])-c:4:c:c:c:c:c:4,PAINS,6,0
-724,4,ene_one_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](-[#1])-[#7]-[#6](=[#8])-[#6](-[#7](-[#1])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6](=[#8])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-725,4,het_76_A(1),s:1:c(:c(-[#1]):c(:c:1-[#6]-3=[#7]-c:2:c:c:c:c:c:2-[#6](=[#7]-[#7]-3-[#1])-c:4:c:c:n:c:c:4)-[#1])-[#1],PAINS,6,0
-726,4,thio_urea_N(1),o:1:c(:c(-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#6]-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6,0
-727,4,anil_di_alk_coum(1),c:1:c(:c:c:c:c:1)-[#7](-[#6]-[#1])-[#6](-[#1])-[#6](-[#1])-[#6](-[#1])-[#7](-[#1])-[#6](=[#8])-[#6]-2=[#6](-[#8]-[#6](-[#6](=[#6]-2-[#6](-[#1])-[#1])-[#1])=[#8])-[#6](-[#1])-[#1],PAINS,6,0
-728,4,ene_one_amide_B(1),c2-3:c:c:c:1:c:c:c:c:c:1:c2-[#6](-[#1])-[#6;X4]-[#7]-[#6]-3=[#6](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-729,4,het_thio_656c(1),c:1:c(:c:c:c:c:1)-[#6]-4=[#7]-[#7]:2:[#6](:[#7+]:c:3:c:2:c:c:c:c:3)-[#16]-[#6;X4]-4,PAINS,6,0
-730,4,het_5_ene(1),[#6]-2(=[#8])-[#6](=[#6](-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#7]=[#6](-c:1:c:c:c:c:c:1)-[#8]-2,PAINS,6,0
-731,4,thio_imide_A(1),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[#1])-[#6]-2=[#8])-[#16]-c:3:c:c:c:c:c:3,PAINS,6,0
-732,4,dhp_amidine_A(1),[#7]-1(-[#1])-[#7]=[#6](-[#7]-[#1])-[#16]-[#6](=[#6]-1-[#6]:[#6])-[#6]:[#6],PAINS,6,0
-733,4,thio_urea_O(1),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])-c:2:c(:c(:c(:o:2)-[#6]-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-734,4,anil_di_alk_O(1),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
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-736,4,het_pyraz_misc(1),[#6](-[F])(-[F])-[#6](=[#8])-[#7](-[#1])-c:1:c(-[#1]):n(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6]):n:c:1-[#1],PAINS,6,0
-737,4,diazox_C(1),[#7]-2=[#7]-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#7]=[#7]-[#6]:[#6]-2,PAINS,6,0
-738,4,diazox_D(1),[#6]-2(-[#1])(-[#8]-[#1])-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#6](-[#1])(-[#8]-[#1])-[#6]=[#6]-2,PAINS,6,0
-739,4,misc_cyclopropane(1),[#6]-1(-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#1])(-[#6](=[#8])-[#7](-[#1])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])(-[#1])-[#8])-[#16](=[#8])(=[#8])-[#6]:[#6],PAINS,6,0
-740,4,imine_ene_one_B(1),[#6]-1:[#6]-[#6](=[#8])-[#6]=[#6]-1-[#7]=[#6](-[#1])-[#7](-[#6;X4])-[#6;X4],PAINS,6,0
-741,4,coumarin_D(1),c:1:c:c(:c:c-2:c:1-[#6](=[#6](-[#1])-[#6](=[#8])-[#8]-2)-c:3:c:c:c:c:c:3)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#8]:[#6],PAINS,6,0
-742,4,misc_furan_A(1),c:1:c(:o:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-c:2:c:c-3:c(:c:c:2)-[#8]-[#6](-[#8]-3)(-[#1])-[#1],PAINS,6,0
-743,4,rhod_sat_E(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#7](-[#1])-c:2:c:c:c:c:3:c:c:c:c:c:2:3)-[#6]-4=[#8],PAINS,6,0
-744,4,rhod_sat_imine_A(1),[#7]-3(-[#6](=[#8])-c:1:c:c:c:c:c:1)-[#6](=[#7]-c:2:c:c:c:c:c:2)-[#16]-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6,0
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-746,4,het_thio_5_imine_B(1),[#7]-1(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6]:[#6])-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6,0
-747,4,het_thio_5_imine_C(1),[#16]-1-[#6](=[#7]-[#7]-[#1])-[#16]-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6,0
-748,4,ene_five_het_N(1),"[#6]-2(=[#8])-[#6](=[#6](-[#1])-c:1:c(:c:c:c(:c:1)-[F,Cl,Br,I])-[#8]-[#6](-[#1])-[#1])-[#7]=[#6](-[#16]-[#6](-[#1])-[#1])-[#16]-2",PAINS,6,0
-749,4,thio_carbam_A(1),[#6](-[#1])(-[#1])-[#16]-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6,0
-750,4,misc_anilide_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6,0
-751,4,misc_anilide_B(1),c:1(:c(:c:c(:c:c:1-[#6])-[Br])-[#6])-[#7](-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]-[#6]-[#6],PAINS,6,0
-752,4,mannich_B(1),c:1-2:c(:c:c:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6]:[#6]-[#8]-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-753,4,mannich_catechol_A(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#8])-[#8])-[#1],PAINS,6,0
-754,4,anil_alk_D(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-755,4,het_65_I(1),n:1:2:c:c:c(:c:c:1:c:c(:c:2-[#6](=[#8])-[#6]:[#6])-[#6]:[#6])-[#6](~[#8])~[#8],PAINS,6,0
-756,4,misc_urea_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#6;X4])(-[#6;X4])-[#7](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6,0
-757,4,imidazole_C(1),[#6]-3(-[#1])(-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[Br])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-758,4,styrene_imidazole_A(1),[#6](=[#6](-[#1])-[#6](-[#1])(-[#1])-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])(-[#6]:[#6])-[#6]:[#6],PAINS,6,0
-759,4,thiazole_amine_M(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:n:c:c:2)-[#7](-[#1])-[#6]:[#6]-[#6](-[#1])-[#1],PAINS,6,0
-760,4,misc_pyrrole_thiaz(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:c:c:c:2)-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-c:3:c:c:c:n:3-[#1],PAINS,6,0
-761,4,pyrrole_L(1),n:1(-[#1]):c(:c(-[#6](-[#1])-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-762,4,het_thio_65_D(1),"c:2(:n:c:1:c(:c(:c:c(:c:1-[#1])-[F,Cl,Br,I])-[#1]):n:2-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6]",PAINS,6,0
-763,4,ene_misc_E(1),c:1(:c(:c-2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]=[#6]-[#6](-[#1])-[#16]-2)-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-764,4,thio_cyano_A(1),[#7]-1(-[#1])-[#6](=[#16])-[#6](-[#1])(-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6]-1-[#6]:[#6])-[#1],PAINS,6,0
-765,4,cyano_amino_het_B(1),n:1:c(:c(:c(:c(:c:1-[#16;X2]-c:2:c:c:c:c:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-c:3:c:c:c:c:c:3)-[#6]#[#7])-[#7](-[#1])-[#1],PAINS,6,0
-766,4,cyano_pyridone_G(1),[#7]-2(-c:1:c:c:c(:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-n:3:c:n:c:c:3)-[#6]#[#7],PAINS,6,0
-767,4,het_65_J(1),o:1:c(:c:c:2:c:1:c(:c(:c(:c:2-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](~[#8])~[#8],PAINS,6,0
-768,4,ene_one_yne_A(1),[#6]#[#6]-[#6](=[#8])-[#6]#[#6],PAINS,6,0
-769,4,anil_OH_no_alk_B(1),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#8]-[#1])-[#6]=[#8])-[#1])-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6,0
-770,4,hzone_acyl_misc_A(1),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[$([#1]),$([#6](-[#1])-[#1])])-c:2:c:c:c:c(:c:2)-[*]-[*]-[*]-c:3:c:c:c:o:3",PAINS,6,0
-771,4,thiophene_F(1),[#16](=[#8])(=[#8])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6,0
-772,4,anil_OC_alk_E(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-773,4,anil_OC_alk_F(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6]=[#8])-[#16],PAINS,6,0
-774,4,het_65_K(1),n1nnnc2cccc12,PAINS,6,0
-775,4,het_65_L(1),c:1-2:c(-[#1]):s:c(:c:1-[#6](=[#8])-[#7]-[#7]=[#6]-2-[#7](-[#1])-[#1])-[#6]=[#8],PAINS,6,0
-776,4,coumarin_E(1),c:1-3:c(:c:2:c(:c:c:1-[Br]):o:c:c:2)-[#6](=[#6]-[#6](=[#8])-[#8]-3)-[#1],PAINS,6,0
-777,4,coumarin_F(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:o:c:c:2-[Br])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6,0
-778,4,coumarin_G(1),"c:1-2:c(:c:c(:c:c:1-[F,Cl,Br,I])-[F,Cl,Br,I])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#1])-[#6](=[#7]-[#1])-[#8]-2)-[#1]",PAINS,6,0
-779,4,coumarin_H(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:c(:c:s:2)-[#6]:[#16]:[#6]-[#1])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6,0
-780,4,het_thio_67_A(1),[#6](-[#1])(-[#1])-[#16;X2]-c:2:n:n:c:1-[#6]:[#6]-[#7]=[#6]-[#8]-c:1:n:2,PAINS,6,0
-781,4,sulfonamide_I(1),[#16](=[#8])(=[#8])(-c:1:c:n(-[#6](-[#1])-[#1]):c:n:1)-[#7](-[#1])-c:2:c:n(:n:c:2)-[#6](-[#1])(-[#1])-[#6]:[#6]-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-782,4,het_65_mannich(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#8]-2)-[#6](-[#1])(-[#1])-[#7]-3-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6]-3)-[#1])-[#1])-[#1],PAINS,6,0
-783,4,anil_alk_A(1),[#6](-[#1])(-[#1])-[#8]-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c:1:n(:c(:n:c:1:c:2-[#1])-[#1])-[#6]-[#1])-[#1])-[#1],PAINS,6,0
-784,4,het_5_inium(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#7+](-c:2:c:c:c:c:c:2)-[#6](=[#7]-c:3:c:c:c:c:c:3)-[#7]-4)-[#1],PAINS,6,0
-785,4,anil_di_alk_P(1),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:1:s:c(:n:c:1:c:2)-[#16]-[#6](-[#1])-[#1],PAINS,6,0
-786,4,thio_urea_Q(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(-[#1]):c(:c:2-[#1])-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6]:[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-787,4,thio_pyridine_A(1),[#6]:1(:[#7]:[#6](:[#7]:[!#1]:[#7]:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#16]-[#6;X4],PAINS,6,0
-788,4,melamine_B(1),n:1:c(:n:c(:n:c:1-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6]-[#1])-[#6]=[#8],PAINS,6,0
-789,4,misc_phthal_thio_N(1),c:1(:n:s:c(:n:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](=[#8])-c:2:c:c:c:c:c:2-[#6](=[#8])-[#8]-[#1])-c:3:c:c:c:c:c:3,PAINS,6,0
-790,4,hzone_acyl_misc_B(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-c:2:c:c:c:c:c:2-[#8]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6,0
-791,4,tert_butyl_B(1),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1],PAINS,6,0
-792,4,diazox_E(1),[#7](-[#1])(-[#1])-c:1:c(-[#7](-[#1])-[#1]):c(:c(-[#1]):c:2:n:o:n:c:1:2)-[#1],PAINS,6,0
-793,4,anil_NH_no_alk_B(1),"[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1])-[F,Cl,Br,I])-[#1]",PAINS,6,0
-794,4,anil_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7]=[#6]-2-[#6](=[#6]~[#6]~[#6]=[#6]-2)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6,0
-795,4,anil_no_alk_B(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-n:2:c:c:c:c:2)-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6,0
-796,4,thio_ene_amine_A(1),[#16]=[#6]-[#6](-[#6](-[#1])-[#1])=[#6](-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6,0
-797,4,het_55_B(1),[#6]-1:[#6]-[#8]-[#6]-2-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#6]-1-2,PAINS,6,0
-798,4,cyanamide_A(1),[#8]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-[#6](=[#7]-[#6]#[#7])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6,0
-799,4,ene_one_one_A(1),[#8]=[#6]-[#6]-1=[#6](-[#16]-[#6](=[#6](-[#1])-[#6])-[#16]-1)-[#6]=[#8],PAINS,6,0
-800,4,ene_six_het_D(1),[#8]=[#6]-1-[#7]-[#7]-[#6](=[#7]-[#6]-1=[#6]-[#1])-[!#1]:[!#1],PAINS,6,0
-801,4,ene_cyano_E(1),[#8]=[#6]-[#6](-[#1])=[#6](-[#6]#[#7])-[#6],PAINS,6,0
-802,4,ene_cyano_F(1),[#8](-[#1])-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#1])-c:2:c(-[#1]):c(:c(:o:2)-[#6](-[#1])=[#6](-[#6]#[#7])-c:3:n:c:c:n:3)-[#1])-[#1])-[#1],PAINS,6,0
-803,4,hzone_furan_C(1),c:1:c(:c:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2)-[#7]=[#6](-[#1])-[#6]:3:[#6](:[#6](:[#6](:[!#1]:3)-c:4:c:c:c:c(:c:4)-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6,0
-804,4,anil_no_alk_C(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-c:2:c(-[#1]):c(:c(-[#6](-[#1])-[#1]):o:2)-[#6]=[#8])-[#1])-[#1],PAINS,6,0
-805,4,hzone_acid_D(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c(:c:c:1)-[#7]-[#7]=[#6](-[#1])-[#6]:2:[#6](:[#6](:[#6](:[!#1]:2)-c:3:c:c:c:c:c:3)-[#1])-[#1],PAINS,6,0
-806,4,hzone_furan_E(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c:c(:c:1)-[#6]:[!#1]:[#6]-[#6]=[#7]-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#8],PAINS,6,0
-807,4,het_6_pyridone_NH2(1),[#8](-[#1])-[#6]:1:[#6](:[#6]:[!#1]:[#6](:[#7]:1)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8],PAINS,6,0
-808,4,imine_one_fives_D(1),[#6]-1(=[!#6&!#1])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6,0
-809,4,pyrrole_M(1),n2(-c:1:c:c:c:c:c:1)c(c(-[#1])c(c2-[#6]=[#7]-[#8]-[#1])-[#1])-[#1],PAINS,6,0
-810,4,pyrrole_N(1),n2(-[#6](-[#1])-c:1:c(:c(:c:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#1])c(c2-[#6]-[#1])-[#1])-[#6]-[#1],PAINS,6,0
-811,4,pyrrole_O(1),n1(-[#6](-[#1])-[#1])c(c(-[#6](=[#8])-[#6])c(c1-[#6]:[#6])-[#6])-[#6](-[#1])-[#1],PAINS,6,0
-812,4,ene_cyano_G(1),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6](-[#6]#[#7])-c:2:n:c:c:s:2)-[#1])-[#1],PAINS,6,0
-813,4,sulfonamide_J(1),n3(-c:1:c:c:c:c:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c:s:2)c(c(-[#1])c(c3-[#1])-[#1])-[#1],PAINS,6,0
-814,4,misc_pyrrole_benz(1),n2(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])c(c(-[#1])c(c2-[#1])-[#1])-[#1],PAINS,6,0
-815,4,thio_urea_R(1),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=[#8],PAINS,6,0
-816,4,ene_one_one_B(1),[#6]-1(-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6]-[#6](-[#1])(-[#1])-[#6]-1=[#8])=[#6](-[#7]-[#1])-[#6]=[#8],PAINS,6,0
-817,4,dhp_amino_CN_H(1),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#16]-[#6;X4]-[#16]-1,PAINS,6,0
-818,4,het_66_anisole(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:c:c:n:c:3:c(:c:c:c(:c:2:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-819,4,thiazole_amine_N(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:n:c(:c:s:2)-c:3:c:c:c(:c:c:3)-[#8]-[#6](-[#1])-[#1],PAINS,6,0
-820,4,het_pyridiniums_C(1),[#6]~1~3~[#7](-[#6]:[#6])~[#6]~[#6]~[#6]~[#6]~1~[#6]~2~[#7]~[#6]~[#6]~[#6]~[#7+]~2~[#7]~3,PAINS,6,0
-821,4,het_5_E(1),[#7]-3(-c:2:c:1:c:c:c:c:c:1:c:c:c:2)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6,0
-822,5,"2,2-dimethyl-4,5-dicarboxy-dithiole",C1(C)(C)SC(C(=O)O)=C(C(=O)O)S1,SureChEMBL,5,0
-823,5,"2,3,4_trihydroxyphenyl",c([OH])c([OH])c([OH]),SureChEMBL,5,0
-824,5,"2,3,5_trihydroxyphenyl",c([OH])c([OH])cc([OH]),SureChEMBL,5,0
-825,5,acid_anhydrides,C(=O)OC(=O),SureChEMBL,5,0
-826,5,acid_halides,"[S,C](=[O,S])[F,Br,Cl,I]",SureChEMBL,5,0
-827,5,Acridine,c1c2cc4ccccc4nc2ccc1,SureChEMBL,5,0
-828,5,Active_Phosphate,"P(=S)([OH1,O$(O[#6])])([OH1,O$(O[#6])])[S,O]",SureChEMBL,5,0
-829,5,acyl_cyanide,C(=O)-C#N,SureChEMBL,5,0
-830,5,Adjacent_Ring_Double_Bonds,[*;R]=[*;R]=[*;R],SureChEMBL,5,0
-831,5,Aldehyde,[#6][C!H0]=O,SureChEMBL,5,0
-832,5,Aliphatic_Triflate,COS(=O)(=O)C(F)(F)F,SureChEMBL,5,0
-833,5,alkyl_halides,"[Br,Cl,I][CX4;CH,CH2]",SureChEMBL,5,0
-834,5,AlkylEnamine,"[C;H1$(C([#6;!$(C=O)])),H0$(C([#6;!$(C=O)])[#6;!$(C=O)])]=[CH1]!@N([#6;!$(C(=O))])[#6;!$(C(=O))]",SureChEMBL,5,0
-835,5,Allene,*=C=*,SureChEMBL,5,0
-836,5,Alpha_Halo_Carbonyl,"[C;!$(C[N])](=O)!@[C;h1,h2;H1,H2][F,Cl,Br,I]",SureChEMBL,5,0
-837,5,amidotetrazole,c1nnnn1C=O,SureChEMBL,5,0
-838,5,Amino_Naphtalimide,c1(N)ccc(C(=O)NC3(=O))c(c3ccc2)c21,SureChEMBL,5,0
-839,5,Aminonitrile,NC#N,SureChEMBL,5,0
-840,5,Anhydride,[#6]C(=O)OC(=O)[#6],SureChEMBL,5,0
-841,5,Any_Carbazide,O=*N=[N+]=[N-],SureChEMBL,5,0
-842,5,aromatic_azides,cN=N=N,SureChEMBL,5,0
-843,5,Azanitrone,N=[N+]([O-])C,SureChEMBL,5,0
-844,5,azoalkanals,[N;R0]=[N;R0]CC=O,SureChEMBL,5,0
-845,5,Azobenzene,c1ccccc1[N!r]=[N!r]c2ccccc2,SureChEMBL,5,0
-846,5,Azocyanamide,[N;R0]=[N;R0]C#N,SureChEMBL,5,0
-847,5,b-Carbonyl_Quaternary_Nitrogen,"C(=O)CC[N+,n+]",SureChEMBL,5,0
-848,5,benzylic_quaternary_nitrogen,"cC[N+,NX4]",SureChEMBL,5,0
-849,5,beta-carbonyl_quaternary_nitrogen,"C(=O)C[N+,n+,NX4,nX4]",SureChEMBL,5,0
-850,5,Beta-Fluoro-ethyl-ON,"[C;H2$(CF),H1$(C(F)F)]!@[CH2][N,O]",SureChEMBL,5,0
-851,5,biotin_analogue,C12C(NC(N1)=O)CSC2,SureChEMBL,5,0
-852,5,carbazides,C(=O)N=N=N,SureChEMBL,5,0
-853,5,carbodiimides,N=C=N,SureChEMBL,5,0
-854,5,CCl3-CHO_releasing,"C(Cl)(Cl)(Cl)C([O,S])[NX3]",SureChEMBL,5,0
-855,5,Chloramidine,[Cl]C([C&R0])=N,SureChEMBL,5,0
-856,5,Conjugated_Dithioether,SC(=[!r])S,SureChEMBL,5,0
-857,5,Crown_Ether_12CRO4,O1CCOCCOCCOCC1,SureChEMBL,5,0
-858,5,Crown_Ether_15CRO5,O1CCOCCOCCOCCOCC1,SureChEMBL,5,0
-859,5,Crown_Ether_16CRO6,O1CCOCCOCCOCCOCCOCC1,SureChEMBL,5,0
-860,5,crown_ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],SureChEMBL,5,0
-861,5,cyanamide,N[CH2]C#N,SureChEMBL,5,0
-862,5,Cyanophosphonate,P(OCC)(OCC)(=O)C#N,SureChEMBL,5,0
-863,5,Cyanohydrin,N#CC[OH1],SureChEMBL,5,0
-864,5,di_and_triphosphates,P(=O)([OH])OP(=O)[OH],SureChEMBL,5,0
-865,5,Diacetylene,C#CC#C,SureChEMBL,5,0
-866,5,Diazoalkane,C=[N+]=[N-],SureChEMBL,5,0
-867,5,Diazonium_Salt,[N+]#N,SureChEMBL,5,0
-868,5,Diene,C!@=[CH1]-C!@=[CH1]-[CX3](=O),SureChEMBL,5,0
-869,5,Dinitrobenzene_1,c1c([N+](=O)[O-])c([N+](=O)[O-])ccc1,SureChEMBL,5,0
-870,5,Dinitrobenzene_2,c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1,SureChEMBL,5,0
-871,5,Dinitrobenzene_3,c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1,SureChEMBL,5,0
-872,5,disulfides,[SX2][SX2],SureChEMBL,5,0
-873,5,Dithiocarbamate,NC(=S)S,SureChEMBL,5,0
-874,5,Dithiole-2-thione,S1SC=CC1=S,SureChEMBL,5,0
-875,5,Dithiole-3-thione,S1C=CSC1=C,SureChEMBL,5,0
-876,5,Dithiomethylene_acetal,S[C;!$(C=*)]S,SureChEMBL,5,0
-877,5,Enyne,C=!@CC#C,SureChEMBL,5,0
-878,5,"epoxides,_thioepoxides,_aziridines","C1[O,S,N]C1",SureChEMBL,5,0
-879,5,ester_of_HOBT,C(=O)Onnn,SureChEMBL,5,0
-880,5,Flavin,"c1cccc(NC(=NC(=[N,S,O])NC(=O)3)C3=N2)c12",SureChEMBL,5,0
-881,5,Fluorescein,c1cc(O)cc(OC(=CC(=O)C=C3)C3=C2)c12,SureChEMBL,5,0
-882,5,Fluorinated_Carbon_1,C(C(CF)F)F,SureChEMBL,5,0
-883,5,Fluorinated_Carbon_2,C(C(F)F)(F)F,SureChEMBL,5,0
-884,5,four_member_lactones,C1(=O)OCC1,SureChEMBL,5,0
-885,5,geminal_amines,[NH1;!r][CX4][NH1;!r],SureChEMBL,5,0
-886,5,geminal_dinitriles,N#CCC#N,SureChEMBL,5,0
-887,5,"halo-pyridine,_-diazoles_and_-triazoles","[Cl,Br,I]c1[c,n][c,n][c,n][c,n]n1",SureChEMBL,5,0
-888,5,hydrazothiourea,N=NC(S)N,SureChEMBL,5,0
-889,5,Imidazolium,c1[n+]([#6])ccn1([#6]),SureChEMBL,5,0
-890,5,Imine2,"[#6,#8,#16]-[CH1]=[NH1]",SureChEMBL,5,0
-891,5,imines_(not_ring),"[#6][C;R0](=[N;R0,O0])[#6]",SureChEMBL,5,0
-892,5,isocyanates_and_isothiocyanates,"N=C=[S,O]",SureChEMBL,5,0
-893,5,isonitrile,[N+]#[C-],SureChEMBL,5,0
-894,5,ketene,C=C=O,SureChEMBL,5,0
-895,5,Lawesson_Reagent_Derivatives,P(=S)(S)S,SureChEMBL,5,0
-896,5,"methylidene-1,3-dithiole",S1C=CSC1=S,SureChEMBL,5,0
-897,5,Michael_Phenyl_Ketone,c1ccccc1C(=O)C=!@CC(=O)!@*,SureChEMBL,5,0
-898,5,N-halo,"[NX3,NX4][F,Cl,Br,I]",SureChEMBL,5,0
-899,5,Nitrobenz-azadiazole_1,"c1ccc(n[o,s]n2)c2c1[N+](=O)[O-]",SureChEMBL,5,0
-900,5,Nitrobenz-azadiazole_2,"c1c([N+](=O)[O-])cc(n[o,s]n2)c2c1",SureChEMBL,5,0
-901,5,nitrosamine,N-[N;X2](=O),SureChEMBL,5,0
-902,5,nitroso,[N&D2](=O),SureChEMBL,5,0
-903,5,noname,"N1=C[S,NH1]C(=[C,N,P][C,N,O,P])C1(=O)",SureChEMBL,5,0
-904,5,N-Oxide_aliphatic,[N+!$(N=O)][O-X1],SureChEMBL,5,0
-905,5,N-S_(not_sulfonamides),[#6][S!$(S(~[OD1])~[OD1])][N;H0],SureChEMBL,5,0
-906,5,Orthoester,C(O)(O)[OH],SureChEMBL,5,0
-907,5,o-tertbutylphenol,c1c([OH1])c(C(C)(C)C)ccc1,SureChEMBL,5,0
-908,5,Oxobenzothiepine,C1(=O)C=CCSC=C1,SureChEMBL,5,0
-909,5,P_or_S_Halides,"[P,S][Cl,Br,F,I]",SureChEMBL,5,0
-910,5,p-Aminoaryl_diazo,Nc1aaa(N!@=N)aa1,SureChEMBL,5,0
-911,5,PCP,PCP,SureChEMBL,5,0
-912,5,paranitrophenyl_esters,C(=O)Oc1ccc([N+](=O)[O-])cc1,SureChEMBL,5,0
-913,5,pentahalophenyl,"c1c([F,Cl])c([F,Cl])c([F,Cl])c([F,Cl])c1([F,Cl])",SureChEMBL,5,0
-914,5,pentafluorophenyl_esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),SureChEMBL,5,0
-915,5,peroxide,[#8]~[#8],SureChEMBL,5,0
-916,5,Phenanthrene,c12cccc3c1c4c(cc3)cccc4cc2,SureChEMBL,5,0
-917,5,Phenylester,C(=O)!@Oc1ccccc1,SureChEMBL,5,0
-918,5,phosphonate_esters,[#6]P(=O)(~O)O[#6],SureChEMBL,5,0
-919,5,phosphoramides,NP(=O)(N)N,SureChEMBL,5,0
-920,5,phosphorane,C=P,SureChEMBL,5,0
-921,5,Phosphorus_Halide,"[S,P][F,Cl,Br,I]",SureChEMBL,5,0
-922,5,Polyene,C=!@CC=!@C,SureChEMBL,5,0
-923,5,polyenes,C=CC=CC=CC=C,SureChEMBL,5,0
-924,5,polyene_chain_between_aromatics,cC=CC=CC=Cc,SureChEMBL,5,0
-925,5,polyines,CC#CC#CC,SureChEMBL,5,0
-926,5,Polynuclear_Aromatic_1,c1cccc(cc(cccc2)c2c3)c13,SureChEMBL,5,0
-927,5,Polynuclear_Aromatic_2,c1cccc(c(cccc2)c2cc3)c13,SureChEMBL,5,0
-928,5,Polysulfide,*[SX2][SX2][SX2]*,SureChEMBL,5,0
-929,5,Sulphur_Halide,"[#16][F,Cl,Br,I]",SureChEMBL,5,0
-930,5,pyrene_fragments,c1c2cccc3c2c4c(cc3)cccc4c1,SureChEMBL,5,0
-931,5,Pyrylium,c1ccc[o+]c1,SureChEMBL,5,0
-932,5,reactive_carbonyls,"[C;!r](=[O,S])[S;!r]",SureChEMBL,5,0
-933,5,reactive_carbonyls,"[C;!r](=[O,S])[CD2;!r][F,Br,Cl]",SureChEMBL,5,0
-934,5,Ring_Triple_Bond,"[C,c;R]#[C,c;R]",SureChEMBL,5,0
-935,5,S=N_(not_ring),[S;R0]=[N;R0],SureChEMBL,5,0
-936,5,Sulfonate_Ester,O=[SX4](=O)OC,SureChEMBL,5,0
-937,5,sulfonyl_cyanide,S(=O)(=O)C#N,SureChEMBL,5,0
-938,5,Sulphate_Ester,"COS(=O)O[C,c]",SureChEMBL,5,0
-939,5,sulphonates,"COS(=O)(=O)[C,c]",SureChEMBL,5,0
-940,5,Sulphur_Nitrogen_single_bond,[SX2H0]!@[N],SureChEMBL,5,0
-941,5,Tetraazinane,C1NNC=NN1,SureChEMBL,5,0
-942,5,Thiocyanate,SC#N,SureChEMBL,5,0
-943,5,thioesters,"C[O,S;R0][C;R0](=S)",SureChEMBL,5,0
-944,5,thioles_(not_aromatic),[!a][SX2;H1],SureChEMBL,5,0
-945,5,Thiophosphothionate,"P(=S)(-[S;H1,H0$(S(P)C)])(-[O;H1,H0$(O(P)C)])(-N(C)C)",SureChEMBL,5,0
-946,5,thiourea,[N;!r][C;!r](=S)[N;!r],SureChEMBL,5,0
-947,5,Three_Membered_Heterocycle,"*1[O,S]*1",SureChEMBL,5,0
-948,5,Tri_Pentavalent_S,"[#16v3,#16v5]",SureChEMBL,5,0
-949,5,Triacyloxime,C(=O)N(C(=O))OC(=O),SureChEMBL,5,0
-950,5,Triazole,c1cnnn1!@C!@[NH1][#6],SureChEMBL,5,0
-951,5,triflate,OS(=O)(=O)(C(F)(F)(F)),SureChEMBL,5,0
-952,5,Triphenyl_Boranyl,B(c1ccccc1)(c2ccccc2)c3ccccc3,SureChEMBL,5,0
-953,5,triphenylphosphines,P(c1aaaaa1)(c1aaaaa1)(c1aaaaa1),SureChEMBL,5,0
-954,5,Triphenyl_Silyl,[Si](c1ccccc1)(c2ccccc2)(c3ccccc3),SureChEMBL,5,0
-955,5,Vinyl_Halide,"[Cl,Br,I]C=[!O!R]",SureChEMBL,5,0
-956,5,Vinyl_Sulphone,"[#6][CH1]!@=[CH1][S;H1,H0$(S(C)C)](=O)(=O)",SureChEMBL,5,0
-957,5,sulphates,[#6]S(=O)(=O)O,SureChEMBL,5,0
-958,5,tropone,C1C(=O)C=CC=CC=1,SureChEMBL,5,0
-959,5,Oxime,"[#6]C(=!@N[$(OC),$([OH])])[#6]",SureChEMBL,5,0
-960,5,hydrazone,[#6]C(=!@NNa)[#6],SureChEMBL,5,0
-961,5,Nitrosone_not_nitro,[$(N(~!@[#6])!@O);!$([N+]([O-])=O)],SureChEMBL,5,0
-962,5,Thiocarbonyl_group,C=S,SureChEMBL,5,0
-963,5,enamine_like,C=[NH],SureChEMBL,5,0
-964,5,analine,"c1ccccc1[NH2,NH3+]",SureChEMBL,5,0
-965,5,acid_anhydrides_2,"[#6]C(=O)!@OC(=!@[N,O])[#6]",SureChEMBL,5,0
-966,5,trifluroacetate_amide,FC(F)(F)C(=O)N,SureChEMBL,5,0
-967,5,triple_bond,[#6]C#[CH],SureChEMBL,5,0
-968,5,Allene,C=C=C,SureChEMBL,5,0
-969,5,thiatetrazolidine,"[$(Sc1nnn[nH,n-]1),$(Sc1nn[nH,n-]n1)]",SureChEMBL,5,0
-970,5,glycol,"[#6][O;R0][$(C([#6])[#6]),$([CH][#6]),$([CH2])][O;R0][#6]",SureChEMBL,5,0
-971,5,oxy-amide,[#6]C(=O)!@C!@C(=O)N,SureChEMBL,5,0
-972,5,formate_formide,"O=[CH][O,N][#6]",SureChEMBL,5,0
-973,5,pyranone,O=C1C=COC=C1,SureChEMBL,5,0
-974,5,Coumarin,c1cc2C=CC(=O)Oc2cc1,SureChEMBL,5,0
-975,5,aminothiazole,s1ccnc1[N!H0],SureChEMBL,5,0
-976,5,Thiazolidinone,O=C1CSCN1,SureChEMBL,5,0
-977,5,Thiomorpholinedione,N1C(=O)CSCC1=O,SureChEMBL,5,0
-978,5,oxepine,O1C=CC=CC=C1,SureChEMBL,5,0
-979,5,phenylethene,c1ccccc1!@[CH]=!@[C!H0],SureChEMBL,5,0
-980,5,Ethene,C=[CH2],SureChEMBL,5,0
-981,5,cyclobutene,C1CC=C1,SureChEMBL,5,0
-982,5,poly_sub_atomatic,*!@c1c(!@*)c(!@*)c(!@*)c(!@*)c1,SureChEMBL,5,0
-983,5,Isotopes,"[2#1,3#1,11C,11c,14C,14c,125I,32P,33P,35S]",SureChEMBL,5,0
-984,5,Undesirable_Elements_Salts,"[Ac,Ag,Am,Ar,As,At,Au,Ba,Be,Bi,Bk,Cd,Ce,Cf,Cm,Cr,Cs,Dy,Er,Eu,Fr,Ga,Gd,Ge,He,Hf,Ho,In,Ir,Kr,La,Lu,Mo,Nb,Nd,Ne,Ni,Np,Os,Pa,Pb,Pd,Pm,Po,Pr,Pt,Pu,Ra,Rb,Re,Rh,Rn,Ru,Sb,Sc,Se,Sm,Sr,Ta,Tb,Tc,Te,Th,Ti,Tl,Tm,U,V,W,Xe,Y,Yb,Zr]",SureChEMBL,5,0
-985,5,Metal_Carbon_bond,"[#6;$([#6]~[#3,#11,#12,#13,#19,#20,#26,#27,#28,#29,#30])]",SureChEMBL,5,0
-986,5,Aromatic_N-Oxide_more_than_one,[n+][O-X1].[n+][O-X1],SureChEMBL,5,0
-987,5,Nitro_more_than_one,[N+](=O)[O-].[N+](=O)[O-],SureChEMBL,5,0
-988,6,anhydride,C(=O)OC(=O),MLSMR,3,0
-989,6,pentafluorophenyl ester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),MLSMR,3,0
-990,6,p-nitrophenyl ester,C(=O)Oc1ccc([N+]([O-])=O)cc1,MLSMR,3,0
-991,6,any carbazide,O=*N=[N+]=[N-],MLSMR,3,0
-992,6,HOBT ester,C(=O)Onnn,MLSMR,3,0
-993,6,aromatic azide,cN=[N+]=[N-],MLSMR,3,0
-994,6,imine2,"[#6,#8,#16]-[CH1]=[NH1]",MLSMR,3,0
-995,6,sulfonyl cyanide,S(=O)(=O)C#N,MLSMR,3,0
-996,6,azocyanamide,[N;R0]=[N;R0]C#N,MLSMR,3,0
-997,6,cyanohydrin,N#CC[OH],MLSMR,3,0
-998,6,acyl cyanide,N#CC(=O),MLSMR,3,0
-999,6,acid halide,"[S,C](=[O,S])[F,Br,Cl,I]",MLSMR,3,0
-1000,6,chloramidine,[Cl]C([C&R0])=N,MLSMR,3,0
-1001,6,P/S halide,"[P,S][F,Cl,Br,I]",MLSMR,3,0
-1002,6,quaternary,"[C+,Cl+,I+,P+,S+]",MLSMR,3,0
-1003,6,unacceptable atoms,[!#6;!#7;!#8;!#16;!#1;!#3;!#9;!#11;!#12;!#15;!#17;!#19;!#20;!#30;!#35],MLSMR,3,0
-1004,6,triacyloxime,C(=O)N(C(=O))OC(=O),MLSMR,3,0
-1005,6,b-carbonyl quaternary nitrogen,"C(=O)CC[N+,n+]",MLSMR,3,0
-1006,6,benzylic quaternary nitrogen,cC[N+],MLSMR,3,0
-1007,6,phosphorane,C=P,MLSMR,3,0
-1008,6,Lawesson reagent derivatives,P(=S)(S)S,MLSMR,3,0
-1009,6,cyanophosphonate,P(OCC)(OCC)(=O)C#N,MLSMR,3,0
-1010,6,sulfonate,"COS(=O)(=O)[C,c]",MLSMR,3,0
-1011,6,Heteroaryl sulfonate,"a-S(=O)(=O)-O[$([a&!#6]),$(c[a&!#6]),$(cc[a&!#6]),$(ccc[a&!#6]),$(cccc[a&!#6]),$(ccccc[a&!#6])]",MLSMR,3,0
-1012,6,sulfate ester,"COS(=O)O[C,c]",MLSMR,3,0
-1013,6,triflate,OS(=O)(=O)C(F)(F)F,MLSMR,3,0
-1014,6,polyacidic,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",MLSMR,3,0
-1015,6,Sulfonic acid,[OH]-S(=O)(=O)-*,MLSMR,3,0
-1016,6,thiol,[SH],MLSMR,3,0
-1017,6,benzhydrol,[OH1]-C(-c1ccccc1)c2ccccc2,MLSMR,3,0
-1018,6,dihydroxybenzene,[OH1]c1ccc([OH1])cc1,MLSMR,3,0
-1019,6,"2,3,4trihydroxyphenyl",c([OH])c([OH])c([OH]),MLSMR,3,0
-1020,6,"2,4,5trihydroxyphenyl",c([OH])c([OH])cc([OH]),MLSMR,3,0
-1021,6,allene,*=C=*,MLSMR,3,0
-1022,6,Azide,N=N=N,MLSMR,3,0
-1023,6,azoalkanal,[N;R0]=[N;R0]CC=O,MLSMR,3,0
-1024,6,hydrazothiourea,N=NC(=S)N,MLSMR,3,0
-1025,6,Azo,N=N,MLSMR,3,0
-1026,6,aldehyde,[#6]-[CH1]=O,MLSMR,3,0
-1027,6,hemiacetal,[#6]-O[CH1](-[#6])[OH1],MLSMR,3,0
-1028,6,acetal,[#6]-O[CH1](-[#6])O-[#6],MLSMR,3,0
-1029,6,Ketone,[#6]-C(=O)-[#6],MLSMR,3,0
-1030,6,Ester,[#6]-C(=O)O-[#6],MLSMR,3,0
-1031,6,imine 1,"[#6,#8,#16]-C(=[NH1])[#6,#8,#16]",MLSMR,3,0
-1032,6,Imine 3,C=[NH],MLSMR,3,0
-1033,6,thioketone,CC(=S)C,MLSMR,3,0
-1034,6,thioester,"C[O,S;R0][C;R0](=S)",MLSMR,3,0
-1035,6,thionoester,COC(=S)C,MLSMR,3,0
-1036,6,thioamide,CC(=S)N,MLSMR,3,0
-1037,6,thiourea,NC(=S)N,MLSMR,3,0
-1038,6,nitroso,[N&D2](=O),MLSMR,3,0
-1039,6,long chain hydrocarbon,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],MLSMR,3,0
-1040,6,Long aliphatic chain,"[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]",MLSMR,3,0
-1041,6,Unbranched chain,"[$([A&D2]),$([A&D1])]!@[A&D2]!@[A&D2]!@[A&D2]!@[A&D2]!@[$([A&D2]),$([A&D1])]",MLSMR,3,0
-1042,6,polyene,C=CC=CC=CC=C,MLSMR,3,0
-1043,6,Dye 25,acC=&!@Cca,MLSMR,3,0
-1044,6,isonitrile,[N+]#[C-],MLSMR,3,0
-1045,6,thiocyanate,SC#N,MLSMR,3,0
-1046,6,cyanamide,N[CH2]C#N,MLSMR,3,0
-1047,6,Dye 16 (1),c([N+](=O)[O-]),MLSMR,3,0
-1048,6,nitro aromatic 2+,a-[N+](=O)[O-].a-[N+](=O)[O-],MLSMR,3,0
-1049,6,Dye 29,"O=[N+](-[O-])-caac-[$(N(C)C),$([NH]C),$([NH2])]",MLSMR,3,0
-1050,6,Dye 1 (1),"c1cccc(C(=O)[C,c]([#7])=,:[C,c]([#7])C2(=O))c12",MLSMR,3,0
-1051,6,Dye 7,"N=C1[#6]:,=[#6]C(=[C,N])[#6]:,=[#6]1",MLSMR,3,0
-1052,6,Dye 11,"*=,:[#6]C([#6]=,:*)[#6]=,:*",MLSMR,3,0
-1053,6,Dye 9,ac-*=&!@*-&!@C(=O)-&!@ca,MLSMR,3,0
-1054,6,Dye 32,"c1cccc2C(=O)C(C:,=*)C(=O)c12",MLSMR,3,0
-1055,6,Dye 6,c12cccc(C(=O)C(ca)C(=O)3)c2c3ccc1,MLSMR,3,0
-1056,6,Dye 22,NS(=O)(=O)c1cccc([#7])c1,MLSMR,3,0
-1057,6,Dye 2,OCccCO,MLSMR,3,0
-1058,6,Dye 26,c1ccccc1-n2nnnc2[CH2]*,MLSMR,3,0
-1059,6,alkyl halide,"[Br,Cl,I][CX4,CH,CH2,CH3]",MLSMR,3,0
-1060,6,Perhalo_ketone,"O=CC(-[F,Cl,Br,I])([F,Cl,Br,I])-[F,Cl,Br,I]",MLSMR,3,0
-1061,6,Beta halo carbonyl,"O=CCC[F,Cl,Br,I]",MLSMR,3,0
-1062,6,4-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[n]:[c,n]:[c,n]1",MLSMR,3,0
-1063,6,2-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[c,n]:[c,n]:[n]1",MLSMR,3,0
-1064,6,Hetero_hetero,"*[N,S,O]-&!@[N,S,O][#6]",MLSMR,3,0
-1065,6,peroxide,OO,MLSMR,3,0
-1066,6,disulfide,SS,MLSMR,3,0
-1067,6,hydrazine,[#6]-[NH]-[NH]-[#6],MLSMR,3,0
-1068,6,acyl hydrazine,[N;R0][N;R0]C(=O),MLSMR,3,0
-1069,6,vinyl michael acceptor1,"[#6]-[CH1]=C-C(=O)[#6,#7,#8]",MLSMR,3,0
-1070,6,vinyl michael acceptor2,"[CH2]=C-C(=O)[#6,#7,#8]",MLSMR,3,0
-1071,6,michael acceptor 5,N#CC(=C)C#N,MLSMR,3,0
-1072,6,Michael acceptor 6,"[#6,#7]-&!@[#6](=&!@[CH])-&!@C(=O)-&!@[C,N,O,S]",MLSMR,3,0
-1073,6,alkynyl michael acceptor1,"[#6]-C#CC(=O)[#6,#7,#8]",MLSMR,3,0
-1074,6,alkynyl michael acceptor2,"[CH1]#CC(=O)-[#6,#7,#8]",MLSMR,3,0
-1075,6,nitroalkane,C[N+](=O)[O-],MLSMR,3,0
-1076,6,crown ether,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],MLSMR,3,0
-1077,6,nitrate,[#6]-O-[N+](=O)[O-],MLSMR,3,0
-1078,6,Oxalyl,O=C-&!@C=O,MLSMR,3,0
-1079,6,Dipeptide,*-C(=O)-&!@[NH]-C-&!@C(=O)-&!@[NH]-*,MLSMR,3,0
-1080,6,quaternary nitroxy,C[N+](-[O-])(C)C,MLSMR,3,0
-1081,6,Triphenylphosphine,a-P(-a)-a,MLSMR,3,0
-1082,6,Phosphoric acid,[OH]-P(=O)(-O)-*,MLSMR,3,0
-1083,6,Phosphoric ester,COP(=O)(-*)O,MLSMR,3,0
-1084,6,di/triphosphate,P(=O)([OH])OP(=O)[OH],MLSMR,3,0
-1085,6,tri phosphoric esters,[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6],MLSMR,3,0
-1086,6,phosphoramide,NP(=O)(N)N,MLSMR,3,0
-1087,6,Phenalene,c1(c)c2c(c)cccc2ccc1,MLSMR,3,0
-1088,6,(poly(azo(anthracene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1[c,n]c3:[c,n]:[c,n]:[c,n]:[c,n]:c3[c,n]2",MLSMR,3,0
-1089,6,(poly(azo(phenanthrene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1:[c,n]:[c,n]:c3:[c,n]:[c,n]:[c,n]:[c,n]:c23",MLSMR,3,0
-1090,6,Dye 31,a1aaac2ac3acac4aaac(c34)c12,MLSMR,3,0
-1091,6,Dye 4,c12ccccc1C(=O)c3ccccc3C2=O,MLSMR,3,0
-1092,6,Dye 8,c12cccc(C(=O)N(-&!@C)C(=O)3)c2c3ccc1,MLSMR,3,0
-1093,6,"epoxide, aziridine, thioepoxide","C1[O,S,N]C1",MLSMR,3,0
-1094,6,propiolactone,C1(=O)OCC1,MLSMR,3,0
-1095,6,b-lactam,N1CCC1=O,MLSMR,3,0
-1096,6,cycloheximide,O=C1CCCC(N1)=O,MLSMR,3,0
-1097,6,aromatic Sulfonic ester,"[#6,#7]-S(=O)(=O)Oc",MLSMR,3,0
-1098,6,quinone,"[$([o,n]=c1ccc(=[o,n])cc1),$([O,N]=C1C=CC(=[O,N])C=C1),$([O,N]=C1[#6]:,=[#6]C(=[O,N])[#6]:,=[#6]1)]",MLSMR,3,0
-1099,6,saponin,O1CCCCC1OC2CCC3CCCCC3C2,MLSMR,3,0
-1100,6,monensin,O1CCCCC1C2CCCO2,MLSMR,3,0
-1101,6,squalestatin,C12OCCC(O1)CC2,MLSMR,3,0
-1102,6,cyanidin,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,MLSMR,3,0
-1103,6,cytochalasin,O=C1NCC2CCCCC21,MLSMR,3,0
-1104,7,Filter1_2_halo_ether,"[Cl,Br,I][CX4][CX4][$([O,S,N]*),Cl,Br,I]",Inpharmatica,1,0
-1105,7,Filter2_acyl_phosphyl_sulfonyl_halide,"[C,S,P](=O)[F,Cl,Br,I]",Inpharmatica,1,0
-1106,7,Filter3_allyl_halide,"[F,Cl,Br,I][CX4]C=C",Inpharmatica,1,0
-1107,7,Filter4_alpha_halo_carbonyl,"[Br,Cl,I][C!H0]C=[O,S]",Inpharmatica,1,0
-1108,7,Filter5_azo,"[$([NX2R0]-[!#7]),$([NX2R0H1])]=[$([NX2R0]-[!#7]),$([NX2R0H1])]",Inpharmatica,1,0
-1109,7,Filter6_benzyl_halide,"[Br,Cl,I][CX4]c",Inpharmatica,1,0
-1110,7,Filter7_diazo,[!#7]~[NX2]~[NX1],Inpharmatica,1,0
-1111,7,Filter8_thio_isocyanat_diimin,"N=C=[N,O,P,S]",Inpharmatica,1,0
-1112,7,Filter9_metal,"[$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53]~[*]),$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53;h])]",Inpharmatica,1,0
-1113,7,Filter10_Terminal_vinyl,"[CH2]=[CH][N,O,P,S;R0]",Inpharmatica,1,0
-1114,7,Filter11_nitrosamin,[NR0]~[NX2]~[OX1],Inpharmatica,1,0
-1115,7,Filter12_nitroso,"[$([NX2]~*),$([NX2H])]~[OX1]",Inpharmatica,1,0
-1116,7,Filter13_PS_double_bond,"S=[$([PX2]~*),$([PX2H])]",Inpharmatica,1,0
-1117,7,Filter14_thio_oxopyrylium_salt,"c1ccc[s,o;X2]c1",Inpharmatica,1,0
-1118,7,Filter15_thiosulfate,[SX4](~S)(~O)(~O)~*,Inpharmatica,1,0
-1119,7,Filter16_trialkyl_phosphin,[PX3]([#6])([#6])[#6],Inpharmatica,1,0
-1120,7,Filter17_trialkyl_phosphin2,[PX4](~[!O!S])([#6])([#6])[#6],Inpharmatica,1,0
-1121,7,Filter18_oxime_ester,"[$([CX3H1]-[!#7]),$([CX3H2])]=NO[C,S,P](=O)*",Inpharmatica,1,0
-1122,7,Filter19_hydroxyimide_ester,O=C[NX3](C=O)OC(=O)*,Inpharmatica,1,0
-1123,7,Filter20_hydrazine,[Nv3X3][Nv3X3!H0],Inpharmatica,1,0
-1124,7,Filter21_cyanhydrin,[NX1]#C[CX4][OH],Inpharmatica,1,0
-1125,7,Filter22_sulfonium_salt,*[SX3](*)*,Inpharmatica,1,0
-1126,7,Filter23_ortho_quinone,C1(C=CC=CC1=O)=O,Inpharmatica,1,0
-1127,7,Filter24_react_imide,"*C([F,Cl,Br,I,$(OS(=O)(=O)*)])=[NX2]*",Inpharmatica,1,0
-1128,7,Filter25_sulfonyl_halide,"*S(=O)(=O)[F,Cl,Br,I]",Inpharmatica,1,0
-1129,7,Filter26_alkyl_halide,"AA[CH2][F,Cl,Br,I,$(OS(=O)(=O)*)]",Inpharmatica,1,0
-1130,7,Filter27_anhydride,"*[C,S](=O)O[C,S](=O)*",Inpharmatica,1,0
-1131,7,Filter28_halo_pyrimidine,"c1nc(ncc1)[Br,I]",Inpharmatica,1,0
-1132,7,Filter29_thioester,"CC(=[OX1,SX1,NH])[$([SX2]-*),$([SX2H])]",Inpharmatica,1,0
-1133,7,Filter30_beta_halo_carbonyl,"[$(C(-C)(-C)(=O)),$([CH](=O)-C)](=O)CC[Br,I]",Inpharmatica,1,0
-1134,7,Filter31_so_bond,"[SX2R0][OX2]",Inpharmatica,1,0
-1135,7,Filter32_oo_bond,"[OX2R0][OX2]",Inpharmatica,1,0
-1136,7,Filter33_c10_alkyl,[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2],Inpharmatica,1,0
-1137,7,Filter34_isotope,"[2#1,3#1,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]",Inpharmatica,1,0
-1138,7,Filter35_pp_bond,P-P,Inpharmatica,1,0
-1139,7,Filter36_ss_double_bond,S=S,Inpharmatica,1,0
-1140,7,Filter37_silicate,[Si]~O,Inpharmatica,1,0
-1141,7,Filter38_aldehyde,O=[CH]*,Inpharmatica,1,0
-1142,7,Filter39_imine,C[CR0]=[NR0][*!O],Inpharmatica,1,0
-1143,7,Filter40_epoxide_aziridine,"C1C[N,S,O]1",Inpharmatica,1,0
-1144,7,Filter41_12_dicarbonyl,*C(=O)C(=O)*,Inpharmatica,1,0
-1145,7,Filter42_12_dicarbonyl_tautomer,[*!$(C[OH])]=C([OH])C(=O)*,Inpharmatica,1,0
-1146,7,Filter43_michael_acceptor_sp1,C#CC=O,Inpharmatica,1,0
-1147,7,Filter44_michael_acceptor2,"[$([C!$(C1(=O)C=CC(=O)C=C1)]C),$([Ch]),$(C[OH0])](=O)C=[C!$(C[Nv3X3,OH])]",Inpharmatica,1,0
-1148,7,Filter45_allyl_halide2,"[Br,Cl,I][CX4]C=[C,N,P]",Inpharmatica,1,0
-1149,7,Filter46_nhalide,"N[F,Cl,Br,I]",Inpharmatica,1,0
-1150,7,Filter47_so2f,O=S(=O)(*)F,Inpharmatica,1,0
-1151,7,Filter48_foso,O=S(*)OF,Inpharmatica,1,0
-1152,7,Filter49_halogen,"[FX2,ClX2,BrX2,IX2,IX3,IX4,IX5]",Inpharmatica,1,0
-1153,7,Filter50_grignard,"C[Mg][F,Cl,Br,I]",Inpharmatica,1,0
-1154,7,Filter51_pn3,N[PX3](N)N,Inpharmatica,1,0
-1155,7,Filter52_NC_haloamine,"NC[F,Cl,Br,I]",Inpharmatica,1,0
-1156,7,Filter53_para_quinones,O=C1C=CC(=O)C=C1,Inpharmatica,1,0
-1157,7,Filter56_SS_bond,S-S,Inpharmatica,1,0
-1158,7,Filter57_polyphenol1,Oc1cc(O)cc(O)c1,Inpharmatica,1,0
-1159,7,Filter58_polyphenol2,Oc1c(O)cc(O)cc1,Inpharmatica,1,0
-1160,7,Filter59_phoshorous_ylide,C=P,Inpharmatica,1,0
-1161,7,Filter60_Acyclic_N-S,N!@[SX2],Inpharmatica,1,0
-1162,7,Filter61_phosphor_halide_and_P_S_bond,"[#15]~[F,Cl,Br,I,#16]",Inpharmatica,1,0
-1163,7,Filter62_oxo_thio_halide,"[O,S]~[Cl,Br,I]",Inpharmatica,1,0
-1164,7,Filter63_polyaromatic,a1aaaa2ccc3ccccc3c12,Inpharmatica,1,0
-1165,7,Filter64_halo_ketone_sulfone,"[#6][C,S](=[O,S])C[F,Cl,Br,I]",Inpharmatica,1,0
-1166,7,Filter65_alkyl_sulfonate,"[#6][P,S](~[OX1])(~[OX1])O[C!H0]",Inpharmatica,1,0
-1167,7,Filter66_c4_perfluoralkyl,C(F)(F)C(F)(F)C(F)(F)C(F)(F),Inpharmatica,1,0
-1168,7,Filter67_S_or_O_C_triplebond_N,"[O,S]C#N",Inpharmatica,1,0
-1169,7,Filter68_anthracene_acridine,a1aaac2cc3ccccc3cc12,Inpharmatica,1,0
-1170,7,Filter69_thio_carbonate,"[O,S]C(=[O,S])[O,S]",Inpharmatica,1,0
-1171,7,Filter70_AlkylCN2,*(C#N)C#N,Inpharmatica,1,0
-1172,7,Filter71_thio_anhydride,"*C(=[O,S])[O,S]C(=[O,S])*",Inpharmatica,1,0
-1173,7,Filter72_hydrated_di_ketone,C(=O)C([OH])[OH],Inpharmatica,1,0
-1174,7,Filter73_thio_ketone,CC(=S)C,Inpharmatica,1,0
-1175,7,Filter74_thiol,*[SX2H],Inpharmatica,1,0
-1176,7,Filter75_alkyl_Br_I,"[C!H0][Br,I]",Inpharmatica,1,0
-1177,7,Filter76_S_ester,CC(=S)O,Inpharmatica,1,0
-1178,7,Filter77_alkyl_NO2,"[*!#7]~[#6]-,=CN(~O)(~O)",Inpharmatica,1,0
-1179,7,Filter78_bicyclic_Imide,*~@C1C(=O)NC(=O)C(~@*)1,Inpharmatica,1,0
-1180,7,Filter79_maleimide,[CH]1C(=O)NC(=O)[CH]=1,Inpharmatica,1,0
-1181,7,Filter80_Thioepoxide_aziridone,"[N,S]1[C,N,S][C,N,S]1",Inpharmatica,1,0
-1182,7,Filter81_Thiocarbamate,"S!@C(=!@[O,S])!@[#7]",Inpharmatica,1,0
-1183,7,Filter82_pyridinium,"[c,n]1[c,n][c,n][c,n][c,n]n(C)1",Inpharmatica,1,0
-1184,7,Filter83_per_halo_chain,"[F,Cl,Br,I]C-,=;!@C([F,Cl,Br,I])-,=;!@C([F,Cl,Br,I])",Inpharmatica,1,0
-1185,7,Filter84_nitrogen_mustard,"[N,P,Se,S][C!H0]C[Br,Cl,I]",Inpharmatica,1,0
-1186,7,Filter85_keto_acrylonitrile,*C(=O)C(=!@[C!H0])C#N,Inpharmatica,1,0
-1187,7,Filter86_cyanamide,N#C[#7!$(N(C#N)=C(N)NC)],Inpharmatica,1,0
-1188,7,Filter87_crowns,"[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[O,N]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@C",Inpharmatica,1,0
-1189,7,Filter88_ene_sulfone,[C!H0]=CS(=O)(=O)*,Inpharmatica,1,0
-1190,7,Filter89_hydroxylamine,"[*!$(C=O)]!@N!@[$([OX2])]",Inpharmatica,1,0
-1191,7,Filter90_N_double_bond_S,N=!@S,Inpharmatica,1,0
-1192,7,Filter92_trityl,*(c1ccccc1)(c1ccccc1)(c1ccccc1),Inpharmatica,1,0
-1193,7,Filter93_acetyl_urea,C(=O)!@N!@C(=O)[#7],Inpharmatica,1,0
-1194,7,Filter94_2_halo_pyridine,"c1nc(ccc1)[Br,I,Cl,F]",Inpharmatica,1,0
-1195,8,aromatic NO2,O~N(=O)-c(:*):*,LINT,2,0
-1196,8,deuterium,[2H],LINT,2,0
-1197,8,C13,[13#6],LINT,2,0
-1198,8,2-chloropyridine,n1c(cccc1)Cl,LINT,2,0
-1199,8,aniline,[NH2D1]-c(:*):*,LINT,2,0
-1200,8,"Si,B,Se atoms","[Si,B,Se]",LINT,2,0
-1201,8,hetero imides,[!#6]-[CH2]-N1C(=O)CCC(=O)1,LINT,2,0
-1202,8,poly ethers,O[CH2][CH2]O-!@[CH2][CH2]O,LINT,2,0
-1203,8,acyclic imines,"[$([CX3R0]([#6])[#6]),$([CX3HR0][#6])]=[$([NX2R0][#6]),$([NX2HR0])]",LINT,2,0
-1204,8,alkyl esters of S or P,"[S,P](=O)OC",LINT,2,0
-1205,8,ugly P compounds,"P(=[O,S])[C,N]([C,N])[C,N]",LINT,2,0
-1206,8,"acyclic N-,=N and not N bound to carbonyl or sulfone","[N;!$(N-[C,S]=*)]-,=;!@[N;!$(N-[C,S]=*)]",LINT,2,0
-1207,8,acyclic N-C-N,N-!@[CX4]-!@N,LINT,2,0
-1208,8,acyclic N-S,N-!@[SX2]-*,LINT,2,0
-1209,8,mustards,"[N,S,O][CH2][CH2]-[F,Cl,Br,I]",LINT,2,0
-1210,8,aldehyde,O=[C!H0],LINT,2,0
-1211,8,"1,2-dicarbonyl not in ring",O=[CX3]-!@[CX3]=O,LINT,2,0
-1212,8,"carbamate, T-boc Protected",NC(OC([CH3])([CH3])[CH3])=O,LINT,2,0
-1213,8,"carbamate, CBZ Protected",NC(O[CH2]c1ccccc1)=O,LINT,2,0
-1214,8,carbamate include di-substitued N,OC(=O)-!@[NX3],LINT,2,0
-1215,8,acyl halide,"O=C-[F,Cl,Br,I]",LINT,2,0
-1216,8,alkyl halide,"[CH2]-[Cl,Br,I]",LINT,2,0
-1217,8,alpha halo carbonyl,"O=C-C-[F,Cl,Br,I]",LINT,2,0
-1218,8,sufonyl halide,"S(=O)(=O)-[F,Cl,Br,I]",LINT,2,0
-1219,8,N:C-SCH2 groups,[ND1]=C-!@[SX2]-[CH2D2],LINT,2,0
-1220,8,26,N-C(=S)-N,LINT,2,0
-1221,8,terminal vinyl,[CH2D1]=[CD2]-!@*,LINT,2,0
-1222,8,28,S=P~*,LINT,2,0
-1223,8,thio cyanates,S-C#N,LINT,2,0
-1224,8,thiols,*-[S!H0],LINT,2,0
-1225,8,thionyl,[Sv4](=O)(-!@[!#1])-!@[!#1],LINT,2,0
-1226,8,n-haloamines,"N-[F,Cl,Br,I]",LINT,2,0
-1227,8,N-C-Hal or cyano methyl,"N-C-[F,Cl,Br,I,$(C#N)]",LINT,2,0
-1228,8,alpha beta-unsaturated ketones; center of Michael reactivity,"[$(C#N),$(N(~O)~O),$(C=O),$(S(=O)=O),$(C(F)(F)F),Cl][C!H0]=[C!H0]",LINT,2,0
-1229,8,aliphatic ketone not ring and not di-carbonyl,[C;!$(C=*)][C!R](=O)[CH2D2],LINT,2,0
-1230,8,"aliphatic ester, not lactones",C[C!R](=O)[O!R][CH2D2],LINT,2,0
-1231,8,"long aliphatic chain, 6+",[CH2][CH2][CH2]-!@[CH2][CH2][CH2],LINT,2,0
-1232,8,quinones,"O=[#6]1[#6]:,=[#6][#6](=O)[#6]:,=[#6]1",LINT,2,0
-1233,8,acyclic C=C-O,C=C-!@O-*,LINT,2,0
-1234,8,acyclic C=N-H,[NH1X2]=[C!R;!$(C(-N)(=[NH1])-N)],LINT,2,0
-1235,8,acyclic NO not nitro,O-!@[N;!$(N(=O)=O);!$([N+](=O)[O-])],LINT,2,0
-1236,8,42,S-S,LINT,2,0
-1237,8,43,O~O,LINT,2,0
-1238,8,thioester,C-C(=O)[SD2],LINT,2,0
-1239,8,aziridine-like N in 3-membered ring,N~1~*~*1,LINT,2,0
-1240,8,epoxides,O~1C~*1,LINT,2,0
-1241,8,aryl iodide,I-c:*,LINT,2,0
-1242,8,aryl bromide,Br-c:*,LINT,2,0
-1243,8,multiple aromatic rings,a1aaa2a(a1)aaa(a2):a,LINT,2,0
-1244,8,multiple aromatic rings,"[!#1]-,:1-:a2a(-:[!#1]:3:a1aaaa3)aaaa2",LINT,2,0
-1245,8,S/PO3 groups,"[P,S](~O)(~O)~O",LINT,2,0
-1246,8,adamantyl,C12CC3CC(C1)CC(C2)C3,LINT,2,0
-1247,8,too many cyano Groups (>1),C#N.C#N,LINT,2,0
-1248,8,too many COOH groups (>1),[CX3](=O)[OH1].[CX3](=O)[OH1],LINT,2,0
-1249,8,amino acid,[NH2][CX4]C(=O)O,LINT,2,0
-1250,8,chlorates,Cl~O,LINT,2,0
-1251,8,high halogen content (>3),"[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I]",LINT,2,0
diff --git a/rd_filters/data/alerts.csv b/rd_filters/data/alerts.csv
new file mode 100644
index 0000000..ee563a5
--- /dev/null
+++ b/rd_filters/data/alerts.csv
@@ -0,0 +1,1252 @@
+id,description,smarts,group,priority
+1,R1 Reactive alkyl halides,"[Br,Cl,I][CX4;CH,CH2]",Glaxo,8
+2,R2 Acid halides,"[S,C](=[O,S])[F,Br,Cl,I]",Glaxo,8
+3,R3 Carbazides,O=CN=[N+]=[N-],Glaxo,8
+4,R4 Sulphate esters,"COS(=O)O[C,c]",Glaxo,8
+5,R5 Sulphonates,"COS(=O)(=O)[C,c]",Glaxo,8
+6,R6 Acid anhydrides,C(=O)OC(=O),Glaxo,8
+7,R7 Peroxides,OO,Glaxo,8
+8,R8 Pentafluorophenyl esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),Glaxo,8
+9,R9 Paranitrophenyl esters,C(=O)Oc1ccc(N(=O)~[OX1])cc1,Glaxo,8
+10,R10 esters of HOBT,C(=O)Onnn,Glaxo,8
+11,R11 Isocyanates & Isothiocyanates,"N=C=[S,O]",Glaxo,8
+12,R12 Triflates,OS(=O)(=O)C(F)(F)F,Glaxo,8
+13,R13 lawesson's reagent and derivatives,P(=S)(S)S,Glaxo,8
+14,R14 phosphoramides,NP(=O)(N)N,Glaxo,8
+15,R15 Aromatic azides,cN=[N+]=[N-],Glaxo,8
+16,R16 beta carbonyl quaternary Nitrogen,"C(=O)C[N+,n+]",Glaxo,8
+17,R17 acylhydrazide,[N;R0][N;R0]C(=O),Glaxo,8
+18,"R18 Quaternary C, Cl, I, P or S","[C+,Cl+,I+,P+,S+]",Glaxo,8
+19,R19 Phosphoranes,C=P,Glaxo,8
+20,R20 Chloramidines,[Cl]C([C&R0])=N,Glaxo,8
+21,R21 Nitroso,[N&D2](=O),Glaxo,8
+22,R22 P/S Halides,"[P,S][Cl,Br,F,I]",Glaxo,8
+23,R23 Carbodiimide,N=C=N,Glaxo,8
+24,R24 Isonitrile,[N+]#[C-],Glaxo,8
+25,R25 Triacyloximes,C(=O)N(C(=O))OC(=O),Glaxo,8
+26,R26 Cyanohydrins,N#CC[OH],Glaxo,8
+27,R27 Acyl cyanides,N#CC(=O),Glaxo,8
+28,R28 Sulfonyl cyanides,S(=O)(=O)C#N,Glaxo,8
+29,R29 Cyanophosphonates,P(OCC)(OCC)(=O)C#N,Glaxo,8
+30,R30 Azocyanamides,[N;R0]=[N;R0]C#N,Glaxo,8
+31,R31 Azoalkanals,[N;R0]=[N;R0]CC=O,Glaxo,8
+32,I1 Aliphatic methylene chains 7 or more long,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],Glaxo,8
+33,I2 Compounds with 4 or more acidic groups,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",Glaxo,8
+34,I3 Crown ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],Glaxo,8
+35,I4 Disulphides,SS,Glaxo,8
+36,I5 Thiols,[SH],Glaxo,8
+37,"I6 Epoxides, Thioepoxides, Aziridines","C1[O,S,N]C1",Glaxo,8
+38,"I7 2,4,5 trihydroxyphenyl",c([OH])c([OH])c([OH]),Glaxo,8
+39,"I8 2,3,4 trihydroxyphenyl",c([OH])c([OH])cc([OH]),Glaxo,8
+40,I9 Hydrazothiourea,N=NC(=S)N,Glaxo,8
+41,I10 Thiocyanate,SC#N,Glaxo,8
+42,I11 Benzylic quaternary Nitrogen,cC[N+],Glaxo,8
+43,I12 Thioesters,"C[O,S;R0][C;R0](=S)",Glaxo,8
+44,I13 Cyanamides,N[CH2]C#N,Glaxo,8
+45,I14 Four membered lactones,C1(=O)OCC1,Glaxo,8
+46,I15 Di and Triphosphates,P(=O)([OH])OP(=O)[OH],Glaxo,8
+47,I16 Betalactams,N1CCC1=O,Glaxo,8
+48,N1 Quinones,O=C1[#6]~[#6]C(=O)[#6]~[#6]1,Glaxo,8
+49,N2 Polyenes,C=CC=CC=CC=C,Glaxo,8
+50,N3 Saponin derivatives,O1CCCCC1OC2CCC3CCCCC3C2,Glaxo,8
+51,N4 Cytochalasin derivatives,O=C1NCC2CCCCC21,Glaxo,8
+52,N5 Cycloheximide derivatives,O=C1CCCC(N1)=O,Glaxo,8
+53,N6 Monensin derivatives,O1CCCCC1C2CCCO2,Glaxo,8
+54,N7 Cyanidin derivatives,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,Glaxo,8
+55,N8 Squalestatin derivatives,C12OCCC(O1)CC2,Glaxo,8
+56,> 2 ester groups,"C(=O)O[C,H1].C(=O)O[C,H1].C(=O)O[C,H1]",Dundee,4
+57,2-halo pyridine,"n1c([F,Cl,Br,I])cccc1",Dundee,4
+58,acid halide,"C(=O)[Cl,Br,I,F]",Dundee,4
+59,acyclic C=C-O,C=[C!r]O,Dundee,4
+60,acyl cyanide,N#CC(=O),Dundee,4
+61,acyl hydrazine,C(=O)N[NH2],Dundee,4
+62,aldehyde,[CH1](=O),Dundee,4
+63,Aliphatic long chain,[R0;D2][R0;D2][R0;D2][R0;D2],Dundee,4
+64,alkyl halide,"[CX4][Cl,Br,I]",Dundee,4
+65,amidotetrazole,c1nnnn1C=O,Dundee,4
+66,aniline,c1cc([NH2])ccc1,Dundee,4
+67,azepane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4
+68,Azido group,N=[N+]=[N-],Dundee,4
+69,Azo group,N#N,Dundee,4
+70,azocane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4
+71,benzidine,"[cR2]1[cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2][cR2]1[cR2]2[cR2][cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2]2",Dundee,4
+72,beta-keto/anhydride,"[C,c](=O)[CX4,CR0X3,O][C,c](=O)",Dundee,4
+73,biotin analogue,C12C(NC(N1)=O)CSC2,Dundee,4
+74,Carbocation/anion,"[C+,c+,C-,c-]",Dundee,4
+75,catechol,"c1c([OH])c([OH,NH2,NH])ccc1",Dundee,4
+76,charged oxygen or sulfur atoms,"[O+,o+,S+,s+]",Dundee,4
+77,chinone,"C1(=[O,N])C=CC(=[O,N])C=C1",Dundee,4
+78,chinone,"C1(=[O,N])C(=[O,N])C=CC=C1",Dundee,4
+79,conjugated nitrile group,C=[C!r]C#N,Dundee,4
+80,crown ether,"[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]",Dundee,4
+81,cumarine,c1ccc2c(c1)ccc(=O)o2,Dundee,4
+82,cyanamide,N[CH2]C#N,Dundee,4
+83,cyanate/aminonitrile/thiocyanate,"[N,O,S]C#N",Dundee,4
+84,cyanohydrins,N#CC[OH],Dundee,4
+85,cycloheptane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4
+86,cycloheptane,[CR2]1[CR2][CR2]cc[CR2][CR2]1,Dundee,4
+87,cyclooctane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4
+88,cyclooctane,[CR2]1[CR2][CR2]cc[CR2][CR2][CR2]1,Dundee,4
+89,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])c([N+0X3R0,nX3R0])[cR2][cR2]1",Dundee,4
+90,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2]c([N+0X3R0,nX3R0])[cR2]1",Dundee,4
+91,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2][cR2]c1([N+0X3R0,nX3R0])",Dundee,4
+92,diazo group,[N!R]=[N!R],Dundee,4
+93,diketo group,"[C,c](=O)[C,c](=O)",Dundee,4
+94,disulphide,SS,Dundee,4
+95,enamine,[CX2R0][NX3R0],Dundee,4
+96,ester of HOBT,C(=O)Onnn,Dundee,4
+97,four member lactones,C1(=O)OCC1,Dundee,4
+98,halogenated ring,"c1cc([Cl,Br,I,F])cc([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4
+99,halogenated ring,"c1ccc([Cl,Br,I,F])c([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4
+100,heavy metal,"[Hg,Fe,As,Sb,Zn,Se,se,Te,B,Si]",Dundee,4
+101,het-C-het not in ring,"[NX3R0,NX4R0,OR0,SX2R0][CX4][NX3R0,NX4R0,OR0,SX2R0]",Dundee,4
+102,hydantoin,C1NC(=O)NC(=O)1,Dundee,4
+103,hydrazine,N[NH2],Dundee,4
+104,hydroquinone,"[OH]c1ccc([OH,NH2,NH])cc1",Dundee,4
+105,hydroxamic acid,C(=O)N[OH],Dundee,4
+106,imine,C=[N!R],Dundee,4
+107,imine,"N=[CR0][N,n,O,S]",Dundee,4
+108,iodine,I,Dundee,4
+109,isocyanate,N=C=O,Dundee,4
+110,isolated alkene,"[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]=[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]",Dundee,4
+111,ketene,C=C=O,Dundee,4
+112,"methylidene-1,3-dithiole",S1C=CSC1=S,Dundee,4
+113,Michael acceptor,"C=!@CC=[O,S]",Dundee,4
+114,Michael acceptor,"[$([CH]),$(CC)]#CC(=O)[C,c]",Dundee,4
+115,Michael acceptor,"[$([CH]),$(CC)]#CS(=O)(=O)[C,c]",Dundee,4
+116,Michael acceptor,C=C(C=O)C=O,Dundee,4
+117,Michael acceptor,"[$([CH]),$(CC)]#CC(=O)O[C,c]",Dundee,4
+118,N oxide,"[NX2,nX3][OX1]",Dundee,4
+119,"N-acyl-2-amino-5-mercapto-1,3,4-thiadiazole",s1c(S)nnc1NC=O,Dundee,4
+120,N-C-halo,"NC[F,Cl,Br,I]",Dundee,4
+121,N-halo,"[NX3,NX4][F,Cl,Br,I]",Dundee,4
+122,N-hydroxyl pyridine,n[OH],Dundee,4
+123,nitro group,[N+](=O)[O-],Dundee,4
+124,N-nitroso,[#7]-N=O,Dundee,4
+125,oxime,"[C,c]=N[OH]",Dundee,4
+126,oxime,"[C,c]=NOC=O",Dundee,4
+127,Oxygen-nitrogen single bond,"[OR0,NR0][OR0,NR0]",Dundee,4
+128,perfluorinated chain,[CX4](F)(F)[CX4](F)F,Dundee,4
+129,peroxide,OO,Dundee,4
+130,phenol ester,c1ccccc1OC(=O)[#6],Dundee,4
+131,phenyl carbonate,c1ccccc1OC(=O)O,Dundee,4
+132,phosphor,P,Dundee,4
+133,phthalimide,"[cR,CR]~C(=O)NC(=O)~[cR,CR]",Dundee,4
+134,Polycyclic aromatic hydrocarbon,a1aa2a3a(a1)A=AA=A3=AA=A2,Dundee,4
+135,Polycyclic aromatic hydrocarbon,a21aa3a(aa1aaaa2)aaaa3,Dundee,4
+136,Polycyclic aromatic hydrocarbon,a31a(a2a(aa1)aaaa2)aaaa3,Dundee,4
+137,polyene,[CR0]=[CR0][CR0]=[CR0],Dundee,4
+138,quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[nX3+,NX3+](~[s,S,c,C,n,N])~[s,S,c,C,n,N]",Dundee,4
+139,quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[n+,N+](~[s,S,c,C,n,N,o,O])(~[s,S,c,C,n,N,o,O])~[s,S,c,C,n,N,o,O]",Dundee,4
+140,quaternary nitrogen,[*]=[N+]=[*],Dundee,4
+141,saponine derivative,O1CCCCC1OC2CCC3CCCCC3C2,Dundee,4
+142,silicon halogen,"[Si][F,Cl,Br,I]",Dundee,4
+143,stilbene,c1ccccc1C=Cc2ccccc2,Dundee,4
+144,sulfinic acid,"[SX3](=O)[O-,OH]",Dundee,4
+145,Sulfonic acid,"[C,c]S(=O)(=O)O[C,c]",Dundee,4
+146,Sulfonic acid,"S(=O)(=O)[O-,OH]",Dundee,4
+147,sulfonyl cyanide,S(=O)(=O)C#N,Dundee,4
+148,sulfur oxygen single bond,[SX2]O,Dundee,4
+149,sulphate,OS(=O)(=O)[O-],Dundee,4
+150,Sulphur-nitrogen single bond,[SX2H0][N],Dundee,4
+151,Thiobenzothiazole,c12ccccc1(SC(S)=N2),Dundee,4
+152,thiobenzothiazole,c12ccccc1(SC(=S)N2),Dundee,4
+153,Thiocarbonyl group,"[C,c]=S",Dundee,4
+154,thioester,SC=O,Dundee,4
+155,thiol,[S-],Dundee,4
+156,thiol,[SH],Dundee,4
+157,Three-membered heterocycle,"*1[O,S,N]*1",Dundee,4
+158,triflate,OS(=O)(=O)C(F)(F)F,Dundee,4
+159,triphenyl methylsilyl,"[SiR0,CR0](c1ccccc1)(c2ccccc2)(c3ccccc3)",Dundee,4
+160,triple bond,C#C,Dundee,4
+161,2halo_pyrazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7][#6][#6]1",BMS,7
+162,2halo_pyrazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6;!$(c-N)][#7][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)]1",BMS,7
+163,2halo_pyridazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#6][#7]1",BMS,7
+164,2halo_pyridazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7]1",BMS,7
+165,2halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)][#6][#6;!$(c-N)]1",BMS,7
+166,2halo_pyridine_5EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6][#6;!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c=O);!$(c-N)]1",BMS,7
+167,2halo_pyrimidine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#7][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7
+168,3halo_pyridazine_2EWG,"[#7;R1]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6][#7]1",BMS,7
+169,3halo_pyridazine_4EWG,"[#7;R1]1[#6][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#7]1",BMS,7
+170,4_pyridone_3_5_EWG,"[#7,#8,#16]1~[#6;H]~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6](=O)~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6;H]1",BMS,7
+171,4halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O);!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6;!$(c=O);!$(c-N)]1",BMS,7
+172,4halo_pyrimidine_2_6EWG,"[#7]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7;R1][#6]([F,Cl,Br,I])[#6][#6]1([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7
+173,4halo_pyrimidine_5EWG,"[#7]1[#6][#7;R1][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7
+174,CH2_S#O_3_ring,"[CH2]1[O,S]C1",BMS,7
+175,HOBT_ester,"O=C(-[!N])O[$(nnn),$([#7]-[#7]=[#7])]",BMS,7
+176,NO_phosphonate,P(=O)ON,BMS,7
+177,acrylate,[CH2]=[C;!$(C-N);!$(C-O)]C(=O),BMS,7
+178,activated_4mem_ring,"[#6]1~[$(C(=O)),$(S(=O))]~[O,S,N]~[$(C(=O)),$(S(=O))]1",BMS,7
+179,activated_S#O_3_ring,"C1~[O,S]~[C,N,O,S]1[a,N,O,S]",BMS,7
+180,activated_acetylene,"[$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))]C#[C;!$(C-N);!$(C-n)]",BMS,7
+181,activated_diazo,"[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])=[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7
+182,activated_vinyl_ester,"O=COC=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7
+183,activated_vinyl_sulfonate,"O(-S(=O)(=O))C=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7
+184,acyclic_imide,"[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]",BMS,7
+185,acyl_123_triazole,[#7;R1]1~[#7;R1]~[#7;R1](-C(=O))~[#6]~[#6]1,BMS,7
+186,acyl_134_triazole,[#7]1~[#7]~[#6]~[#7](-C(=O)[!N])~[#6]1,BMS,7
+187,acyl_activated_NO,"O=C(-[!N])O[$([#7;+]),$(N(C=[O,S,N])(C=[O,S,N]))]",BMS,7
+188,acyl_cyanide,C(=O)-C#N,BMS,7
+189,acyl_imidazole,"[C;!$(C-N)](=O)[#7]1[#6;H1,$([#6]([*;!R]))][#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7
+190,acyl_pyrazole,"[C;!$(C-N)](=O)[#7]1[#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7
+191,aldehyde,"[C,c][C;H1](=O)",BMS,7
+192,alpha_dicarbonyl,C(=O)!@C(=O),BMS,7
+193,alpha_halo_EWG,"[$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-])]-[CH,CH2]-[Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7
+194,alpha_halo_amine,"[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]",BMS,7
+195,alpha_halo_carbonyl,"C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7
+196,alpha_halo_heteroatom,"[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$(C(F)(F))][F,Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7
+197,alpha_halo_heteroatom_tert,"[N,n,O,S;!$(S(=O)(=O))]-C([Cl,Br,I,$(O(S(=O)(=O)))])(C)(C)",BMS,7
+198,anhydride,"[$(C(=O)),$(C(=S))]-[O,S]-[$(C(=O)),$(C(=S)),$(C(=[N;!R])),$(C(=N(-[C;X4])))]",BMS,7
+199,aryl_phosphonate,P(=O)-[O;!R]-a,BMS,7
+200,aryl_thiocarbonyl,a-[S;X2;!R]-[C;!R](=O),BMS,7
+201,azide,"[$(N#[N+]-[N-]),$([N-]=[N+]=N)]",BMS,7
+202,aziridine_diazirine,"[C,N]1~[C,N]~N~1",BMS,7
+203,azo_amino,[N]=[N;!R]-[N],BMS,7
+204,azo_aryl,c[N;!R;!+]=[N;!R;!+]-c,BMS,7
+205,azo_filter1,[N;!R]=[N;!R]-[N]=[*],BMS,7
+206,azo_filter2,[N;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!r3;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!$(N-S(=O)(=O));!$(N-C=O)],BMS,7
+207,azo_filter3,[N;!R]-[N;!R]-[N;!R],BMS,7
+208,azo_filter4,a-N=N-[N;H2],BMS,7
+209,bad_boron,"[B-,BH2,BH3,$(B(F)(F))]",BMS,7
+210,bad_cations,"[C+,F+,Cl+,Br+,I+,Se+]",BMS,7
+211,benzidine_like,c([N;!+])1ccc(c2ccc([N;!+])cc2)cc1,BMS,7
+212,beta_lactone,"[#6,#15,#16]1(=O)~[#6]~[#6]~[#8,#16]1",BMS,7
+213,betalactam,C1(=O)~[#6]~[#6]N1,BMS,7
+214,betalactam_EWG,"C1(=O)~[#6]~[#6]N1([$(S(=O)(=O)[C,c,O&D2]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)[C,c,O&D2])])",BMS,7
+215,bis_activated_aryl_ester,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7
+216,bis_keto_olefin,"CC(=O)[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]=[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]C(=O)C",BMS,7
+217,boron_warhead,"[C,c]~[#5]",BMS,7
+218,branched_polycyclic_aromatic,a1(a2aa(a3aaaaa3)aa(a4aaaaa4)a2)aaaaa1,BMS,7
+219,carbodiimide_iso#thio#cyanate,"N=C=[N,O,S]",BMS,7
+220,carbonyl_halide,"O=C[F,Cl,Br,I]",BMS,7
+221,contains_metal,"[$([Ru]),$([Rh]),$([#34]),$([Pd]),$([Sc]),$([Bi]),$([Sb]),$([Ag]),$([Ti]),$([Al]),$([Cd]),$([V]),$([In]),$([Cr]),$([Sn]),$([Mn]),$([La]),$([Fe]),$([Er]),$([Tm]),$([Yb]),$([Lu]),$([Hf]),$([Ta]),$([W]),$([Re]),$([Co]),$([Os]),$([Ni]),$([Ir]),$([Cu]),$([Zn]),$([Ga]),$([Ge]),$([#33]),$([Y]),$([Zr]),$([Nb]),$([Ce]),$([Pr]),$([Nd]),$([Sm]),$([Eu]),$([Gd]),$([Tb]),$([Dy]),$([Ho]),$([Pt]),$([Au]),$([Hg]),$([Tl]),$([Pb]),$([Ac]),$([Th]),$([Pa]),$([Mo]),$([U]),$([Tc]),$([Te]),$([Po]),$([At])]",BMS,7
+222,crown_ether,"[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]",BMS,7
+223,cyano_phosphonate,"P(O[A,a])(O[A,a])(=O)C#N",BMS,7
+224,cyanohydrin,"[C;X4](-[OH,NH1,NH2,SH])(-C#N)",BMS,7
+225,diamino_sulfide,"[N,n]~[S;!R;D2]~[N,n]",BMS,7
+226,diazo_carbonyl,"[$(N=N=C~C=O),$(N#N-C~C=O)]",BMS,7
+227,diazonium,a[N+]#N,BMS,7
+228,dicarbonyl_sulfonamide,"[$(N(-C(=O))(-C(=O))(-S(=O))),$(n([#6](=O))([#6](=O))([#16](=O)))]",BMS,7
+229,disulfide_acyclic,[S;!R;X2]-[S;!R;X2],BMS,7
+230,disulfonyliminoquinone,S(=O)(=O)N=C1C=CC(=NS(=O)(=O))C=C1,BMS,7
+231,double_trouble_warhead,NC(C[S;D1])C([N;H1]([O;D1]))=O,BMS,7
+232,flavanoid,O=C2CC(a3aaaaa3)Oa1aaaaa12,BMS,7
+233,four_nitriles,C#N.C#N.C#N.C#N,BMS,7
+234,gte_10_carbon_sb_chain,[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R],BMS,7
+235,gte_2_N_quats,"[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]",BMS,7
+236,gte_2_free_phos,P([O;D1])=O.P([O;D1])=O,BMS,7
+237,gte_2_sulfonic_acid,"[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]",BMS,7
+238,gte_3_COOH,C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1],BMS,7
+239,gte_3_iodine,[#53].[#53].[#53],BMS,7
+240,gte_4_basic_N,"[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)]",BMS,7
+241,gte_4_nitro,"[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)]",BMS,7
+242,gte_5_phenolic_OH,a[O;D1].a[O;D1].a[O;D1].a[O;D1].a[O;D1],BMS,7
+243,gte_7_aliphatic_OH,C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1],BMS,7
+244,gte_7_total_hal,"[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]",BMS,7
+245,gte_8_CF2_or_CH2,"[CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0]",BMS,7
+246,halo_5heterocycle_bis_EWG,"[#7,#8,#16]1[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#7][#6]1([Cl,Br,I])",BMS,7
+247,halo_acrylate,"[$([C;H2]),$([C&H1;$(C-F)]),$([C&H1;$(C-Cl)]),$([C&H1;$(C-Br)]),$([C&H1;$(CI)]),$(C(F)F),$(C(Cl)Cl),$(C(Br)Br),$(C(I)I),$(C(F)Cl),$(C(F)Br),$(C(F)I),$(C(Cl)Br),$(C(Br)I)](=[$([C&H1;$(C(-C(=O)))]),$(C(F)(C(=O))),$(C(Cl)(C(=O))),$(C(Br)(C(=O))),$(C(I)(C(=O))),$(C(C)(C(=O))),$(C(c)(C(=O)))])",BMS,7
+248,halo_imino,"C(=[#7])([Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7
+249,halo_olefin_bis_EWG,"C([Cl,Br,I,$(O(S(=O)(=O)))])=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7
+250,halo_phenolic_carbonyl,"C(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7
+251,halo_phenolic_sulfonyl,"S(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7
+252,halogen_heteroatom,"[!C;!c;!H][F,Cl,Br,I]",BMS,7
+253,hetero_silyl,[Si]~[!#6],BMS,7
+254,hydrazine,[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]-[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))],BMS,7
+255,hydrazothiourea,[N;!R]=NC(=S)N,BMS,7
+256,hydroxamate_warhead,C([N;H1]([O;D1]))=O,BMS,7
+257,hyperval_sulfur,"[$([#16&D3]),$([#16&D4])]=,:[#6]",BMS,7
+258,isonitrile,[N+]#[C-],BMS,7
+259,keto_def_heterocycle,"[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]",BMS,7
+260,linear_polycyclic_aromatic_I,"[$(a12aaaaa1aa3a(aa(aaaa4)a4a3)a2),$(a12aaaaa1aa3a(aaa4a3aaaa4)a2),$(a12aaaaa1a(aa5)a3a(aaa4a3a5aaa4)a2)]",BMS,7
+261,linear_polycyclic_aromatic_II,"[$(a12aaaa4a1a3a(aaaa3aa4)aa2),$(a12aaaaa1a3a(aaa4a3aaaa4)aa2),$(a1(a(aaaa4)a4a3a2aaaa3)a2aaaa1)]",BMS,7
+262,maleimide_etc,"[$([C;H1]),$(C(-[F,Cl,Br,I]))]1=[$([C;H1]),$(C(-[F,Cl,Br,I]))]C(=O)[N,O,S]C(=O)1",BMS,7
+263,meldrums_acid_deriv,O=C1OC(C)(C)OC(C1)=O,BMS,7
+264,monofluoroacetate,"[C;H2](F)C(=O)[O,N,S]",BMS,7
+265,nitrone,[C;!R]=[N+][O;D1],BMS,7
+266,nitrosamine,N-[N;X2](=O),BMS,7
+267,non_ring_CH2O_acetal,"[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]",BMS,7
+268,non_ring_acetal,"[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]",BMS,7
+269,non_ring_ketal,"[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)",BMS,7
+270,ortho_hydroiminoquinone,c1c([N;D1])c([N;D1])c[cH1][cH1]1,BMS,7
+271,ortho_hydroquinone,"a1c([O,S;D1])c([O,S;D1])a[cH1][cH1]1",BMS,7
+272,ortho_nitrophenyl_carbonyl,"[#6]1(-O-[C;!R](=[O,N;!R]))[#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6][#6][#6]1",BMS,7
+273,ortho_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=CC(=[O,N,S;!R])C(=[O,N,S])C=[CH1,$(C(-[Cl,Br,I]))]1",BMS,7
+274,oxaziridine,"C1~[O,S]~N1",BMS,7
+275,oxime,[$(C=N[O;D1]);!$(C=[N+])][#6][#6],BMS,7
+276,oxonium,"[o+,O+]",BMS,7
+277,para_hydroiminoquinone,a1[cH1]c([N;D1])[cH1]ac([N;D1])1,BMS,7
+278,para_hydroquinone,"a1[cH1]c([O,S;D1])[cH1]ac([O,S;D1])1",BMS,7
+279,para_nitrophenyl_ester,"[#6]1(-O(-[C;!R](-[!N])(=[O,N;!R])))[#6][#6][#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6]1",BMS,7
+280,para_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=[CH1,$(C(-[Cl,Br,I]))]C(=[O,N,S])[CH1,$(C(-[Cl,Br,I]))]=[CH1,$(C(-[Cl,Br,I]))]C1(=[O,N,S])",BMS,7
+281,paraquat_like,[#6]1[#6][#6]([#6]2[#6][#6][#7;+][#6][#6]2)[#6][#6][#7;+]1,BMS,7
+282,pentafluorophenylester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),BMS,7
+283,perchloro_cp,C1(Cl)(Cl)C(Cl)C(Cl)=C(Cl)C1(Cl),BMS,7
+284,perhalo_dicarbonyl_phenyl,"c1(C=O)c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1(C=O)",BMS,7
+285,perhalo_phenyl,"c1c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1([Br,Cl,I])",BMS,7
+286,peroxide,[#8]~[#8],BMS,7
+287,phenolate_bis_EWG,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7
+288,phos_serine_warhead,NC(COP(O)(O)=O)C(O)=O,BMS,7
+289,phos_threonine_warhead,NC(C(C)OP(O)(O)=O)C(O)=O,BMS,7
+290,phos_tyrosine_warhead,NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O,BMS,7
+291,phosphite,"[c,C]-[P;v3]",BMS,7
+292,phosphonium,[#15;+]~[!O],BMS,7
+293,phosphorane,C=P,BMS,7
+294,phosphorous_nitrogen_bond,"[#15]~[N,n]",BMS,7
+295,phosphorus_phosphorus_bond,P~P,BMS,7
+296,phosphorus_sulfur_bond,P~S,BMS,7
+297,polyene,C=[C;!R][C;!R]=[C;!R][C;!R]=[C;!R],BMS,7
+298,polyhalo_phenol_a,"c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1.c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1",BMS,7
+299,polyhalo_phenol_b,"c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1.c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1",BMS,7
+300,polyhalo_phenol_c,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7
+301,polyhalo_phenol_d,"c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1.c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1",BMS,7
+302,polyhalo_phenol_e,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7
+303,polysulfide,[S;D2]-[S;D2]-[S;D2],BMS,7
+304,porphyrin,"[#6;r16,r17,r18]~[#6]1~[#6]~[#6]~[#6](~[#6])~[#7]1",BMS,7
+305,primary_halide_sulfate,"[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7
+306,quat_N_N,"[N,n;R;+]!@[N,n]",BMS,7
+307,quat_N_acyl,"[N,n;+]!@C(=O)",BMS,7
+308,quinone_methide,"[#6;!$([#6](-[N,O,S]))]1=[#6;!$([#6](-[N,O,S]))][#6](=[#6])[#6;!$([#6](-[N,O,S]))]=[#6;!$([#6](-[N,O,S]))][#6]1(=[O,N,S])",BMS,7
+309,rhodanine,C(=C)1SC(=S)NC(=O)1,BMS,7
+310,secondary_halide_sulfate,"[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7
+311,sulf_D2_nitrogen,[S;D2](-[N;!$(N(=C));!$(N(-S(=O)(=O)));!$(N(-C(=O)))]),BMS,7
+312,sulf_D2_oxygen_D2,[S;D2][O;D2],BMS,7
+313,sulf_D3_nitrogen,"[S;D3](-N)(-[c,C])(-[c,C])",BMS,7
+314,sulfite_sulfate_ester,"[C,c]OS(=O)O[C,c]",BMS,7
+315,sulfonium,[S+;X3;$(S-C);!$(S-[O;D1])],BMS,7
+316,sulfonyl_anhydride,"[$(C(=O)),$(S(=O)(=O))][O,S](S(=O)(=O))",BMS,7
+317,sulfonyl_halide,"S(=O)(=O)[F,Cl,Br,I]",BMS,7
+318,sulfonyl_heteroatom,"[!#6;!#1;!#11;!#19]O(S(=O)(=O)(-[C,c]))",BMS,7
+319,sulphonyl_cyanide,S(=O)(=O)C#N,BMS,7
+320,tertiary_halide_sulfate,"[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])",BMS,7
+321,thio_hydroxamate,"[S;D2]([$(N(=C)),$(N(-S(=O)(=O))),$(N(-C(=O)))])",BMS,7
+322,thio_xanthate,[S;!R]-[C;!R](=[S;!R])(-[S;!R]),BMS,7
+323,thiocarbonate,"SC(=O)[O,S]",BMS,7
+324,thioester,"[S;!R;H0]C(=[S,O;!R])([!O;!S;!N])",BMS,7
+325,thiol_warhead,NC(C[S;D1])C(O)=O,BMS,7
+326,thiopyrylium,"c1[S,s;+]cccc1",BMS,7
+327,thiosulfoxide,"[C,c][S;X3](~O)-S",BMS,7
+328,triamide,"[$(N(-C(=O))(-C(=O))(-C(=O))),$(n([#6](=O))([#6](=O))([#6](=O)))]",BMS,7
+329,triaryl_phosphine_oxide,P(=O)(a)(a)(a),BMS,7
+330,trichloromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(Cl)(Cl)(Cl),BMS,7
+331,triflate,OS(=O)(=O)(C(F)(F)(F)),BMS,7
+332,trifluoroacetate_ester,C(F)(F)(F)C(=O)O,BMS,7
+333,trifluoroacetate_thioester,C(F)(F)(F)C(=O)S,BMS,7
+334,trifluoromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(F)(F)(F),BMS,7
+335,trihalovinyl_heteroatom,"C(-[Cl,Br,I])(-[Cl,Br,I])=C(-[Cl,Br,I])(-[N,O,S])",BMS,7
+336,trinitro_aromatic,"[$(a1aaa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])a1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1aa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1a([$(N(=O)(=O)),$([N+](=O)[O-])])aa([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])]))]",BMS,7
+337,trinitromethane_derivative,"C([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])",BMS,7
+338,tris_activated_aryl_ester,"[$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aaa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1)]",BMS,7
+339,trisub_bis_act_olefin,"[CH;!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7
+340,vinyl_carbonyl_EWG,"[C;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=[C;!R]([C;!R](=O))([!$([#8]);!$([#7])])",BMS,7
+341,ene_six_het_A(483),[#6]-1(-[#6](~[!#6&!#1]~[#6]-[!#6&!#1]-[#6]-1=[!#6&!#1])~[!#6&!#1])=[#6;!R],PAINS,6
+342,hzone_phenol_A(479),c:1:c:c(:c(:c:c:1)-[#6]=[#7]-[#7])-[O;H1],PAINS,6
+343,anil_di_alk_A(478),"[C;H2]N([C;H2])c1cc([$([H]),$([C;H2]),$([O][C;H2][C;H2])])c(N)c([H])c1",PAINS,6
+344,indol_3yl_alk(461),"n:1(c(c(c:2:c:1:c:c:c:c:2-[H])-[C;D4]-[H])-[$([C;H2]),$([C]=,:[!C]),$([C;H1][N]),$([C;H1]([C;H2])[N;H1][C;H2]),$([C;H1]([C;H2])[C;H2][N;H1][C;H2])])-[$([H]),$([C;H2])]",PAINS,6
+345,quinone_A(370),"[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1",PAINS,6
+346,azo_A(324),[#7;!R]=[#7],PAINS,6
+347,imine_one_A(321),"[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]",PAINS,6
+348,mannich_A(296),[#7]-[C;X4]-c1ccccc1-[O;H1],PAINS,6
+349,anil_di_alk_B(251),c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6]=[#6],PAINS,6
+350,anil_di_alk_C(246),"c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7](-[#6;X4])-[$([#1]),$([#6;X4])]",PAINS,6
+351,ene_rhod_A(235),[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8],PAINS,6
+352,hzone_phenol_B(215),c:1(:c:c:c(:c:c:1)-[#6]=[#7]-[#7])-[#8]-[#1],PAINS,6
+353,ene_five_hetA1(201A),"[#6]-1(=[#6])-[#6]=[#7]-[#7,#8,#16]-[#6]-1=[#8]",PAINS,6
+354,ene_five_het_A(201),[#6]-1(=[#6])-[#6]=[#7]-[!#6&!#1]-[#6]-1=[#8],PAINS,6
+355,anil_di_alk_D(198),"c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6;X4]-[$([#8]-[#1]),$([#6]=[#6]-[#1]),$([#7]-[#6;X4])]",PAINS,6
+356,imine_one_isatin(189),[#8]=[#6]-2-[#6](=!@[#7]-[#7])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6
+357,anil_di_alk_E(186),"[#6](-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])-[$([#1]),$([#6]-[#1])])-[#1])-[#1]",PAINS,6
+358,thiaz_ene_A(128),"[#6]-1(=[#6](-[$([#1]),$([#6](-[#1])-[#1]),$([#6]=[#8])])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6]-[#1]),$([#6]:[#6])])=[#7;!R])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
+359,pyrrole_A(118),n2(-[#6]:1:[!#1]:[#6]:[#6]:[#6]:[#6]:1)c(cc(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6
+360,catechol_A(92),c:1:c:c(:c(:c:c:1)-[#8;H1])-[#8;H1],PAINS,6
+361,ene_five_het_B(90),[#6]-1(=[#6])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6
+362,imine_one_fives(89),[#6]-1=[!#1]-[!#6&!#1]-[#6](-[#6]-1=[!#6&!#1;!R])=[#8],PAINS,6
+363,ene_five_het_C(85),[#6]-1(-[#6](-[#6]=[#6]-[!#6&!#1]-1)=[#6])=[!#6&!#1],PAINS,6
+364,hzone_pipzn(79),"CN1[C;H2][C;H2]N(N=[C;H1][#6]=,:[#6])[C;H2][C;H2]1",PAINS,6
+365,keto_keto_beta_A(68),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6
+366,hzone_pyrrol(64),Cn1cccc1C=NN,PAINS,6
+367,ene_one_ene_A(57),[#6]=!@[#6](-[!#1])-@[#6](=!@[!#6&!#1])-@[#6](=!@[#6])-[!#1],PAINS,6
+368,cyano_ene_amine_A(56),N#CC=C(N)C(C#N)C#N,PAINS,6
+369,ene_five_one_A(55),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6])-[#6]-2=[#8],PAINS,6
+370,cyano_pyridone_A(54),N#Cc1ccc[#7;H1]c1=S,PAINS,6
+371,anil_alk_ene(51),c:1:c:c-2:c(:c:c:1)-[#6]-3-[#6](-[#6]-[#7]-2)-[#6]-[#6]=[#6]-3,PAINS,6
+372,amino_acridine_A(46),c:1:c:2:c(:c:c:c:1):n:c:3:c(:c:2-[#7]):c:c:c:c:3,PAINS,6
+373,ene_five_het_D(46),[#6]-1(=[#6])-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6
+374,thiophene_amino_Aa(45),[H]N([H])c1sc([!#1])c([!#1])c1C=O,PAINS,6
+375,ene_five_het_E(44),[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2,PAINS,6
+376,sulfonamide_A(43),"NS(=O)(=O)c1cc([F,Cl,Br,I])cc([F,Cl,Br,I])c1O",PAINS,6
+377,thio_ketone(43),[#6]-[#6](=[#16])-[#6],PAINS,6
+378,sulfonamide_B(41),[H]N(c1ccc([O;H1])cc1)S(=O)=O,PAINS,6
+379,anil_no_alk(40),"c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[$([#8]),$([#7]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#7](-[#1])-[#1]",PAINS,6
+380,thiophene_amino_Ab(40),"[$([#1]),$([#6](-[#1])-[#1]),$([#6]:[#6])]-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8])-[$([#6]:1:[#6]:[#6]:[#6]:[#6]:[#6]:1),$([#6]:1:[#16]:[#6]:[#6]:[#6]:1)]",PAINS,6
+381,het_pyridiniums_A(39),"[H]c1c([$([N]),$([H])])ccc2ccc[n+]([$([O;X1]),$([C;H3]),$([#6][#6]:[#6]),$([#6][#6][#8]),$([#6][#6](C)=[#8]),$([#6][#6](N)=[#8]),$([#6][#6][#6])])c12",PAINS,6
+382,anthranil_one_A(38),CC(=O)c1ccccc1[#7;H1][!$([#6]=[#8])],PAINS,6
+383,cyano_imine_A(37),[#7;H1][#7]=[#6](-[#6]#[#7])-[#6]=[!#6&!#1;!R],PAINS,6
+384,diazox_sulfon_A(36),"[#7](-c:1:c:c:c:c:c:1)-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[#6]:[#6]:[#6]:3:[#7]:[$([#8]),$([#16])]:[#7]:[#6]:2:3",PAINS,6
+385,hzone_anil_di_alk(35),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]-[$([#6](=[#8])-[#6](-[#1])(-[#1])-[#16]-[#6]:[#7]),$([#6](=[#8])-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[#7]),$([#6](=[#8])-[#6]:[#6]-[#8]-[#1]),$([#6]:[#7]),$([#6](-[#1])(-[#1])-[#6](-[#1])-[#8]-[#1])])-[#1])-[#1]",PAINS,6
+386,rhod_sat_A(33),[#7]-1-[#6](=[#16])-[#16]-[#6;X4]-[#6]-1=[#8],PAINS,6
+387,hzone_enamin(30),"[#7][#7]=[#6][#6](-[$([#1]),$([#6])])=[#6]([#6])-!@[$([#7]),$([#8])]",PAINS,6
+388,pyrrole_B(29),[#6;X4]c1ccc([#6]:[#6])n1c2ccccc2,PAINS,6
+389,thiophene_hydroxy(28),s1ccc(c1)-[#8;H1],PAINS,6
+390,cyano_pyridone_B(27),"[!#6][#6]1=,:[#7][#6]([#6])=,:[#6](C#N)[#6](=O)[#7]1",PAINS,6
+391,imine_one_sixes(27),[#6]-1(-[#6](=[#8])-[#7]-[#6](=[#8])-[#7]-[#6]-1=[#8])=[#7],PAINS,6
+392,dyes5A(27),"[#6]=,:[#6]:[#7]([#6])~[#6]:[#6]=,:[#6][#6]~[#6]:[#7]",PAINS,6
+393,naphth_amino_A(25),"c1cc2cccc3[#7][#6]=,:[#7]c(c1)c23",PAINS,6
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+435,anil_alk_bim(9),c:1:3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1]):n:c(-[#1]):n:3-[#6],PAINS,6
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+440,anil_OC_no_alk_A(8),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:n:c:1-[#1])-[#8]-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6
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+443,het_thio_5_A(8),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:c(:c(:n:1-!@[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)-[#1],PAINS,6
+444,anil_di_alk_ene_A(8),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6](-[#1])-c:1:c(:c:c:c:c:1)-[#16;X2]-c:3:c-2:c:c:c:c:3,PAINS,6
+445,ene_rhod_D(8),"[#16]-1-[#6](=!@[#7]-[$([#1]),$([#7](-[#1])-[#6]:[#6])])-[#7](-[$([#1]),$([#6]:[#7]:[#6]:[#6]:[#16])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[#6]:[#6]-[$([#17]),$([#8]-[#6]-[#1])]",PAINS,6
+446,ene_rhod_E(8),[#16]-1-[#6](=[#8])-[#7]-[#6](=[#16])-[#6]-1=[#6](-[#1])-[#6]:[#6],PAINS,6
+447,anil_OH_alk_A(8),c:1:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1])-[#1],PAINS,6
+448,pyrrole_C(8),n1(-[#6;X4])c(c(-[#1])c(c1-[#6]:[#6])-[#1])-[#6](-[#1])-[#1],PAINS,6
+449,thio_urea_D(8),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2,PAINS,6
+450,thiaz_ene_D(8),[#7](-c:1:c:c:c:c:c:1)-c2[n+]c(cs2)-c:3:c:c:c:c:c:3,PAINS,6
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+452,thiaz_ene_E(8),"[#6]-1(=[#6](-[#6](-[#1])(-[#6])-[#6])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6](-[#1])-[#1])])=[#8])-[#16]-[#6;R]",PAINS,6
+453,het_65_B(7),[!#1]:1:[!#1]-2:[!#1](:[!#1]:[!#1]:[!#1]:1)-[#7](-[#1])-[#7](-[#6]-2=[#8])-[#6],PAINS,6
+454,keto_keto_beta_C(7),c:1:c:c-2:c(:c:c:1)-[#6](=[#6](-[#6]-2=[#8])-[#6])-[#8]-[#1],PAINS,6
+455,het_66_A(7),c:2:c:c:1:n:n:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6]=[#8],PAINS,6
+456,thio_urea_E(7),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:c:c:2,PAINS,6
+457,thiophene_amino_C(7),"[#6](-[#1])-[#6](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6]-[#6]-[#6]=[#8])-[$([#6](=[#8])-[#8]),$([#6]#[#7])])-[#6](-[#1])-[#1]",PAINS,6
+458,hzone_phenone(7),"[#6](-c:1:c(:c(:c(:c:c:1-[#1])-[$([#6;X4]),$([#1])])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[$([#1]),$([#17])])-[#1])-[#1])=[$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#7](-[#1])-[#6](=[#7]-[#1])-[#7](-[#1])-[#1]),$([#6](-[#1])-[#7])]",PAINS,6
+459,ene_rhod_G(7),[#8](-[#1])-[#6](=[#8])-c:1:c:c(:c:c:c:1)-[#6]:[!#1]:[#6]-[#6](-[#1])=[#6]-2-[#6](=[!#6&!#1])-[#7]-[#6](=[!#6&!#1])-[!#6&!#1]-2,PAINS,6
+460,ene_cyano_B(7),[#6]-1(=[#6]-[#6](-c:2:c:c(:c(:n:c-1:2)-[#7](-[#1])-[#1])-[#6]#[#7])=[#6])-[#6]#[#7],PAINS,6
+461,dhp_amino_CN_C(7),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]:[#6])-[#8]-1)-[#6]#[#7],PAINS,6
+462,het_5_A(7),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6]=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6
+463,ene_five_het_H(6),[#7]-1=[#6]-[#6](-[#6](-[#7]-1)=[#16])=[#6],PAINS,6
+464,thio_amide_A(6),c1(coc(c1-[#1])-[#6](=[#16])-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[!#1]-[#6](-[#1])(-[#1])-[#6]-2(-[#1])-[#1])-[#1],PAINS,6
+465,ene_cyano_C(6),[#6]=[#6](-[#6]#[#7])-[#6](=[#7]-[#1])-[#7]-[#7],PAINS,6
+466,hzone_furan_A(6),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6
+467,anil_di_alk_H(6),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[!#1]:[#6]:[#6]:[#6]:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+468,het_65_C(6),"n2c1ccccn1c(c2-[$([#6](-[!#1])=[#6](-[#1])-[#6]:[#6]),$([#6]:[#8]:[#6])])-[#7]-[#6]:[#6]",PAINS,6
+469,thio_urea_F(6),[#6]-1-[#7](-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#7]-1-[#1],PAINS,6
+470,ene_five_het_I(6),c:1(:c:c:c:o:1)-[#6](-[#1])=!@[#6]-3-[#6](=[#8])-c:2:c:c:c:c:c:2-[!#6&!#1]-3,PAINS,6
+471,keto_keto_gamma(5),[#8]=[#6]-1-[#6;X4]-[#6]-[#6](=[#8])-c:2:c:c:c:c:c-1:2,PAINS,6
+472,quinone_B(5),c:1:c:c-2:c(:c:c:1)-[#6](-c3cccc4noc-2c34)=[#8],PAINS,6
+473,het_6_pyridone_OH(5),[#8](-[#1])-c:1:n:c(:c:c:c:1)-[#8]-[#1],PAINS,6
+474,hzone_naphth_A(5),"c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6]=[#7]-[#7](-[#1])-[$([#6]:[#6]),$([#6]=[#16])])-[#1])-[#1])-[#1])-[#1])-[#1]",PAINS,6
+475,thio_ester_A(5),[#6]-1=[#6](-[#16]-[#6](-[#6]=[#6]-1)=[#16])-[#7],PAINS,6
+476,ene_misc_A(5),[#6]-1=[#6]-[#6](-[#8]-[#6]-1-[#8])(-[#8])-[#6],PAINS,6
+477,cyano_pyridone_D(5),[#8]=[#6]-1-[#6](=[#6]-[#6](=[#7]-[#7]-1)-[#6]=[#8])-[#6]#[#7],PAINS,6
+478,het_65_Db(5),C3=CN1C(=NC(=C1-[#7]-[#6])-c:2:c:c:c:c:n:2)C=C3,PAINS,6
+479,het_666_A(5),[#7]N-2-c:1:c:c:c:c:c:1-[#6](=[#7])-c:3:c-2:c:c:c:c:3,PAINS,6
+480,diazox_sulfon_B(5),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](-[#1])-[#6](-[#1])-[#7](-[#6](-[#1])-[#6]-2-[#1])-[#16](=[#8])(=[#8])-c:3:c:c:c:c:4:n:s:n:c:3:4,PAINS,6
+481,anil_NH_alk_A(5),c:1(:c(:c-2:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#7]-2-[#1])=[#8])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
+482,sulfonamide_C(5),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c(:c:c:2)-[!#6&!#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6
+483,het_thio_N_55(5),[#6](-[#1])-[#6]:2:[#7]:[#7](-c:1:c:c:c:c:c:1):[#16]:3:[!#6&!#1]:[!#1]:[#6]:[#6]:2:3,PAINS,6
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+489,pyrrole_E(5),n2(-[#6]:1:[!#1]:[!#6&!#1]:[!#1]:[#6]:1-[#1])c(c(-[#1])c(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6
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+492,pyrrole_F(5),n2(-[#6]:1:[#6](-[#6]#[#7]):[#6]:[#6]:[!#6&!#1]:1)c(c(-[#1])c(c2)-[#1])-[#1],PAINS,6
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+502,anil_di_alk_I(4),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+503,het_thio_6_furan(4),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:n:c(:c(:n:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-c:3:c(:c(:c(:o:3)-[#1])-[#1])-[#1],PAINS,6
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+506,anil_OC_alk_A(4),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):o:c:3:c(-[#1]):c(:c(-[#8]-[#6](-[#1])-[#1]):c(:c:2:3)-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
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+509,ene_five_het_K(4),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6]-2-[#6](=[#8])-[!#6&!#1]-[#6]=:[!#1]-2)-[#1])-[#1],PAINS,6
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+512,ene_five_het_L(4),[#8]=[#6]-3-[#6](=!@[#6](-[#1])-c:1:c:n:c:c:1)-c:2:c:c:c:c:c:2-[#7]-3,PAINS,6
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+514,dhp_amino_CN_E(4),[#6](-[#1])(-[#1])-[#16;X2]-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1,PAINS,6
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+516,imine_imine_B(3),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7]=[#6],PAINS,6
+517,thiazole_amine_B(3),c:1(:c:c:c(:c:c:1)-[#6](-[#1])-[#1])-c:2:c(:s:c(:n:2)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1],PAINS,6
+518,imine_ene_one_A(3),[#6]-2(-[#6]=[#7]-c:1:c:c:c:c:c:1-[#7]-2)=[#6](-[#1])-[#6]=[#8],PAINS,6
+519,diazox_A(3),[#8](-c:1:c:c:c:c:c:1)-c:3:c:c:2:n:o:n:c:2:c:c:3,PAINS,6
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+521,anil_OC_no_alk_C(3),[#7](-[#1])(-[#1])-c:1:c(:c:c:c:n:1)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+522,thiazol_SC_A(3),[#6]-[#16;X2]-c:1:n:c(:c:s:1)-[#1],PAINS,6
+523,het_666_B(3),c:1:c-3:c(:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2-[#8]-3)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6
+524,furan_A(3),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6]#[#6]-[#6;X4],PAINS,6
+525,colchicine_A(3),[#6]-1(-[#6](=[#6]-[#6]=[#6]-[#6]=[#6]-1)-[#7]-[#1])=[#7]-[#6],PAINS,6
+526,thiophene_C(3),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-[#6](=[#8])-c:1:c(-[#16;X2]):s:c(:c:1)-[$([#6]#[#7]),$([#6]=[#8])]",PAINS,6
+527,anil_OC_alk_B(3),"c:1:3:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[F,Cl,Br,I])-[#6]-2=[#8])-[#7](-[#1])-[#6]:[#6]:[#6]:[#6](-[#8]-[#6](-[#1])-[#1]):[#6]:[#6]:3",PAINS,6
+528,het_thio_66_A(3),c:1-2:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]=[#6]-2-[#16;X2]-[#6](-[#1])(-[#1])-[#6](=[#8])-c:3:c:c:c:c:c:3,PAINS,6
+529,rhod_sat_B(3),[#7]-2(-c:1:c:c:c:c:c:1-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[!#1]:[!#1]:[!#1])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
+530,ene_rhod_I(3),[#7]-2(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](=[#6](-[#1])-c:1:c:c:c:c(:c:1)-[Br])-[#6]-2=[#8],PAINS,6
+531,keto_thiophene(3),c:1(:c(:c:2:c(:s:1):c:c:c:c:2)-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6
+532,imine_imine_C(3),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])=[#7]-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#6](-[#1])-[#1])-[#6]:[#6],PAINS,6
+533,het_65_pyridone_A(3),"[#6]:2(:[#6](-[#6](-[#1])-[#1]):[#6]-1:[#6](-[#7]=[#6](-[#7](-[#6]-1=[!#6&!#1;X1])-[#6](-[#1])-[$([#6](=[#8])-[#8]),$([#6]:[#6])])-[$([#1]),$([#16]-[#6](-[#1])-[#1])]):[!#6&!#1;X2]:2)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]",PAINS,6
+534,thiazole_amine_C(3),"c:1(:n:c(:c(-[#1]):s:1)-[!#1]:[!#1]:[!#1](-[$([#8]-[#6](-[#1])-[#1]),$([#6](-[#1])-[#1])]):[!#1]:[!#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(-[#1]):c(:c(-[#1]):o:2)-[#1]",PAINS,6
+535,het_thio_pyr_A(3),n:1:c(:c(:c(:c(:c:1-[#16]-[#6]-[#1])-[#6]#[#7])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]:[#6],PAINS,6
+536,melamine_A(3),"c:1:4:c(:n:c(:n:c:1-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#7](-[#1])-c:3:c:c(:c(:c:c:3-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])]):c:c:c:c:4",PAINS,6
+537,anil_NH_alk_B(3),[#7](-[#1])(-[#6]:1:[#6]:[#6]:[!#1]:[#6]:[#6]:1)-c:2:c:c:c(:c:c:2)-[#7](-[#1])-[#6]-[#1],PAINS,6
+538,rhod_sat_C(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#7]-[#6]=[#8])-[#16]-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
+539,thiophene_amino_D(3),[#6]=[#6]-[#6](=[#8])-[#7]-c:1:c(:c(:c(:s:1)-[#6](=[#8])-[#8])-[#6]-[#1])-[#6]#[#7],PAINS,6
+540,anil_OC_alk_C(3),"[$([#1]),$([#6](-[#1])-[#1])]-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:n:2",PAINS,6
+541,het_thio_65_A(3),[#6](-[#1])(-[#1])-[#16;X2]-c3nc1c(n(nc1-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)nn3,PAINS,6
+542,het_thio_656b(3),[#6]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-c:3:n:n:c:2:c:1:c(:c(:c(:c(:c:1:n(:c:2:n:3)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+543,thiazole_amine_D(3),"s:1:c(:[n+](-[#6](-[#1])-[#1]):c(:c:1-[#1])-[#6])-[#7](-[#1])-c:2:c:c:c:c:c:2[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
+544,thio_urea_H(3),[#6]-2(=[#16])-[#7](-[#6](-[#1])(-[#1])-c:1:c:c:c:o:1)-[#6](=[#7]-[#7]-2-[#1])-[#6]:[#6],PAINS,6
+545,cyano_pyridone_F(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-[#6]#[#7])-[#6]#[#7],PAINS,6
+546,rhod_sat_D(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6
+547,ene_rhod_J(3),"[#6](-[#1])(-[#1])-[#7]-2-[#6](=[$([#16]),$([#7])])-[!#6&!#1]-[#6](=[#6]-1-[#6](=[#6](-[#1])-[#6]:[#6]-[#7]-1-[#6](-[#1])-[#1])-[#1])-[#6]-2=[#8]",PAINS,6
+548,imine_phenol_A(3),[#6]=[#7;!R]-c:1:c:c:c:c:c:1-[#8]-[#1],PAINS,6
+549,thio_carbonate_B(3),[#8]=[#6]-2-[#16]-c:1:c(:c(:c:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#8]-2,PAINS,6
+550,het_thio_N_5A(3),[#7]=[#6]-1-[#7]=[#6]-[#7]-[#16]-1,PAINS,6
+551,het_thio_N_65A(3),[#7]-2-[#16]-[#6]-1=[#6](-[#6]:[#6]-[#7]-[#6]-1)-[#6]-2=[#16],PAINS,6
+552,anil_di_alk_J(3),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]=[#6](-[#6])-[#6]:[#6])-[#1])-[#1],PAINS,6
+553,pyrrole_H(3),n1-2cccc1-[#6]=[#7](-[#6])-[#6]-[#6]-2,PAINS,6
+554,ene_cyano_D(3),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6](-[#16])-[#16],PAINS,6
+555,cyano_cyano_B(3),[#6]-1(-[#6]#[#7])(-[#6]#[#7])-[#6](-[#1])(-[#6](=[#8])-[#6])-[#6]-1-[#1],PAINS,6
+556,ene_five_het_M(3),"[#6]-1=:[#6]-[#6](-[#6](-[$([#8]),$([#16])]-1)=[#6]-[#6]=[#8])=[#8]",PAINS,6
+557,cyano_ene_amine_C(3),[#6]:[#6]-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](-[#6]#[#7])=[#6](-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
+558,thio_urea_I(3),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#7]=[#6]-c:2:c:n:c:c:2,PAINS,6
+559,dhp_amino_CN_F(3),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-c:1:c:c:c:s:1)-[#6](=[#6](-[#6](-[#1])-[#1])-[#8]-2)-[#6](=[#8])-[#8]-[#6],PAINS,6
+560,anthranil_acid_B(3),c:1:c-3:c(:c:c(:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#8]-[#1])-[#6](-[#7](-[#6]-3=[#8])-[#6](-[#1])-[#1])=[#8],PAINS,6
+561,diazox_B(3),[Cl]-c:2:c:c:1:n:o:n:c:1:c:c:2,PAINS,6
+562,thio_aldehyd_A(3),[#6]-[#6](=[#16])-[#1],PAINS,6
+563,thio_amide_B(2),[#6;X4]-[#7](-[#1])-[#6](-[#6]:[#6])=[#6](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6
+564,imidazole_B(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-c1cn(cn1)-[#1],PAINS,6
+565,thiazole_amine_E(2),[#8]=[#6]-[#7](-[#1])-c:1:c(-[#6]:[#6]):n:c(-[#6](-[#1])(-[#1])-[#6]#[#7]):s:1,PAINS,6
+566,thiazole_amine_F(2),[#6](-[#1])-[#7](-[#1])-c:1:n:c(:c:s:1)-c2cnc3n2ccs3,PAINS,6
+567,thio_ester_C(2),[#7]-1-[#6](=[#8])-[#6](=[#6](-[#6])-[#16]-[#6]-1=[#16])-[#1],PAINS,6
+568,ene_one_B(2),[#6](-[#16])(-[#7])=[#6](-[#1])-[#6]=[#6](-[#1])-[#6]=[#8],PAINS,6
+569,quinone_C(2),[#8]=[#6]-3-c:1:c(:c:c:c:c:1)-[#6]-2=[#6](-[#8]-[#1])-[#6](=[#8])-[#7]-c:4:c-2:c-3:c:c:c:4,PAINS,6
+570,keto_naphthol_A(2),"c:1:2:c:c:c:c(:c:1:c(:c:c:c:2)-[$([#8]-[#1]),$([#7](-[#1])-[#1])])-[#6](-[#6])=[#8]",PAINS,6
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+605,het_thio_5_B(2),[#6]-1(-[#6]=[#8])(-[#6]:[#6])-[#16;X2]-[#6]=[#7]-[#7]-1-[#1],PAINS,6
+606,thiophene_amino_F(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#6]#[#7])-[#6]:3:[!#1]:[!#1]:[!#1]:[!#1]:[!#1]:3,PAINS,6
+607,anil_OC_alk_D(2),"[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2-[$([#6](-[#1])-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6
+608,tert_butyl_A(2),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c:c(:c(:c:1-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])-[#7])-[#1],PAINS,6
+609,thio_urea_J(2),c:1(:c(:o:c:c:1)-[#6]-[#1])-[#6]=[#7]-[#7](-[#1])-[#6](=[#16])-[#7]-[#1],PAINS,6
+610,het_thio_65_B(2),[#7](-[#1])-c1nc(nc2nnc(n12)-[#16]-[#6])-[#7](-[#1])-[#6],PAINS,6
+611,coumarin_B(2),c:1-2:c(:c:c:c:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6](=[#8])-[#8]-2)-[#1],PAINS,6
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+613,thiophene_amino_G(2),[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-c:1:c:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6
+614,anil_NH_alk_D(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c:c:1-[#7](-[#1])-[#6](-[#1])(-[#6])-[#6](-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+615,het_thio_5_C(2),[#16]=[#6]-2-[#7](-[#1])-[#7]=[#6](-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#8]-2,PAINS,6
+616,thio_keto_het(2),[#16]=[#6]-c:1:c:c:c:2:c:c:c:c:n:1:2,PAINS,6
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+618,quinone_D(2),[#6]-1(-[#6]=:[#6]-[#6]=:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1],PAINS,6
+619,anil_di_alk_furan_B(2),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(-[#1]):c(:c(:o:1)-[#6](-[#1])=[#6]-[#6]#[#7])-[#1],PAINS,6
+620,ene_six_het_C(2),[#8]=[#6]-1-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7]-[#6]-1=[#6]-[#1],PAINS,6
+621,het_55_A(2),[#6]:[#6]-[#7]:2:[#7]:[#6]:1-[#6](-[#1])(-[#1])-[#16;X2]-[#6](-[#1])(-[#1])-[#6]:1-[#6]:2-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])=[#6]-[#1],PAINS,6
+622,het_thio_65_C(2),n:1:c(:n(:c:2:c:1:c:c:c:c:2)-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-[#6](-[#1])=[#6]-[#1],PAINS,6
+623,hydroquin_A(2),c:1(:c:c(:c(:c:c:1)-[#8]-[#1])-[#6](=!@[#6]-[#7])-[#6]=[#8])-[#8]-[#1],PAINS,6
+624,anthranil_acid_F(2),c:1(:c:c(:c(:c:c:1)-[#7](-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1])-[#8]-[#1],PAINS,6
+625,pyrrole_I(2),n2(-[#6](-[#1])-[#1])c-1c(-[#6]:[#6]-[#6]-1=[#8])cc2-[#6](-[#1])-[#1],PAINS,6
+626,thiophene_amino_H(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6
+627,imine_one_fives_C(2),[#6]:[#6]-[#7;!R]=[#6]-2-[#6](=[!#6&!#1])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6
+628,keto_phenone_zone_A(2),c:1:c:c:c:c:c:1-[#6](=[#8])-[#7](-[#1])-[#7]=[#6]-3-c:2:c:c:c:c:c:2-c:4:c:c:c:c:c-3:4,PAINS,6
+629,dyes7A(2),c:1:c(:c:c:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=!@[#6](-[#1])-[#6](-[#1])=[#6]-[#6]=@[#7]-c:2:c:c:c:c:c:2,PAINS,6
+630,het_pyridiniums_B(2),[#6]:1:2:[!#1]:[#7+](:[!#1]:[#6](:[!#1]:1:[#6]:[#6]:[#6]:[#6]:2)-[*])~[#6]:[#6],PAINS,6
+631,het_5_D(2),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#16]-[#6])-[#6]-2=[#8],PAINS,6
+632,thiazole_amine_H(1),c:1:c:c:c(:c:c:1-[#7](-[#1])-c2nc(c(-[#1])s2)-c:3:c:c:c(:c:c:3)-[#6](-[#1])(-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+633,thiazole_amine_I(1),[#6](-[#1])(-[#1])-[#7](-[#1])-[#6]=[#7]-[#7](-[#1])-c1nc(c(-[#1])s1)-[#6]:[#6],PAINS,6
+634,het_thio_N_5C(1),[#6]:[#6]-[#7](-[#1])-[#6](=[#8])-c1c(snn1)-[#7](-[#1])-[#6]:[#6],PAINS,6
+635,sulfonamide_F(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6
+636,thiazole_amine_J(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6
+637,het_65_F(1),s2c:1:n:c:n:c(:c:1c(c2-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7]-[#7]=[#6]-c3ccco3,PAINS,6
+638,keto_keto_beta_E(1),[#6](=[#8])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6](-[#8]-[#1])=[#6](-[#1])-[#6](=[#8])-[#6],PAINS,6
+639,ene_five_one_B(1),c:2(:c:1-[#6](-[#6](-[#6](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])(-[#1])-[#1])=[#8])=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6
+640,keto_keto_beta_zone(1),[#6]:[#6]-[#7](-[#1])-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6]:[#6],PAINS,6
+641,thio_urea_L(1),[#6;X4]-[#16;X2]-[#6](=[#7]-[!#1]:[!#1]:[!#1]:[!#1])-[#7](-[#1])-[#7]=[#6],PAINS,6
+642,het_thio_urea_ene(1),[#6]-1(=[#7]-[#7](-[#6](-[#16]-1)=[#6](-[#1])-[#6]:[#6])-[#6]:[#6])-[#6]=[#8],PAINS,6
+643,cyano_amino_het_A(1),c:1(:c(:c:2:c(:n:c:1-[#7](-[#1])-[#1]):c:c:c(:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-[#6]#[#7])-[#6]#[#7],PAINS,6
+644,tetrazole_hzide(1),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7](-[#1])-[#7](-[#1])-c2nnnn2-[#6])=[#8],PAINS,6
+645,imine_naphthol_A(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#7]-[#6]:[#6])-[#6](-[#1])-[#1])-[#8]-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+646,misc_anisole_A(1),c:1(:c(:c:2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1]):c(:c(:c(:c:2-[#7](-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
+647,het_thio_665(1),c:1:c:c-2:c(:c:c:1)-[#16]-c3c(-[#7]-2)cc(s3)-[#6](-[#1])-[#1],PAINS,6
+648,anil_di_alk_L(1),c:1:c:c:c-2:c(:c:1)-[#6](-[#6](-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-4-[#6](-c:3:c:c:c:c:c:3-[#6]-4=[#8])=[#8])(-[#1])-[#1])(-[#1])-[#1],PAINS,6
+649,colchicine_B(1),c:1(:c:c:c(:c:c:1)-[#6]-3=[#6]-[#6](-c2cocc2-[#6](=[#6]-3)-[#8]-[#1])=[#8])-[#16]-[#6](-[#1])-[#1],PAINS,6
+650,misc_aminoacid_A(1),[#6;X4]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6
+651,imidazole_amino_A(1),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#7]=!@[#6])-[#7](-[#1])-[#1],PAINS,6
+652,phenol_sulfite_A(1),[#6](-c:1:c:c:c(:c:c:1)-[#8]-[#1])(-c:2:c:c:c(:c:c:2)-[#8]-[#1])-[#8]-[#16](=[#8])=[#8],PAINS,6
+653,het_66_D(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6],PAINS,6
+654,misc_anisole_B(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c(-[#6](-[#1])-[#1])c:c:2,PAINS,6
+655,tetrazole_A(1),[#6](-[#1])(-[#1])-c1nnnn1-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6
+656,het_65_G(1),[#6]-2(=[#7]-c1c(c(nn1-[#6](-[#6]-2(-[#1])-[#1])=[#8])-[#7](-[#1])-[#1])-[#7](-[#1])-[#1])-[#6],PAINS,6
+657,misc_trityl_A(1),[#6](-[#6]:[#6])(-[#6]:[#6])(-[#6]:[#6])-[#16]-[#6]:[#6]-[#6](=[#8])-[#8]-[#1],PAINS,6
+658,misc_pyridine_OC(1),[#8]=[#6](-c:1:c(:c(:n:c(:c:1-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+659,het_6_hydropyridone(1),[#7]-1=[#6](-[#7](-[#6](-[#6](-[#6]-1(-[#1])-[#6]:[#6])(-[#1])-[#1])=[#8])-[#1])-[#7]-[#1],PAINS,6
+660,misc_stilbene(1),[#6]-1(=[#6](-[#6](-[#6](-[#6](-[#6]-1(-[#1])-[#1])(-[#1])-[#6](=[#8])-[#6])(-[#1])-[#6](=[#8])-[#8]-[#1])(-[#1])-[#1])-[#6]:[#6])-[#6]:[#6],PAINS,6
+661,misc_imidazole(1),[#6](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[Cl])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[Cl])-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c3nc(c(n3-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6
+662,anil_NH_no_alk_A(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
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+666,misc_aminal_acid(1),c:1:c:c-2:c(:c:c:1)-[#7](-[#6](-[#8]-[#6]-2)(-[#6](=[#8])-[#8]-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])-[#1],PAINS,6
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+668,anil_alk_C(1),[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#6](-[#6])(-[#6])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
+669,misc_anisole_C(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6]-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])(-[#1])-[#1])-[#6]:[#6],PAINS,6
+670,het_465_misc(1),c:1-2:c:c-3:c(:c:c:1-[#8]-[#6]-[#8]-2)-[#6]-[#6]-3,PAINS,6
+671,anthranil_acid_G(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
+672,anil_di_alk_M(1),c:1(:c:4:c(:n:c(:c:1-[#6](-[#1])(-[#1])-[#7]-3-c:2:c(:c(:c(:c(:c:2-[#6](-[#1])(-[#1])-[#6]-3(-[#1])-[#1])-[#1])-[#1])-[#1])-[#1])-[#1]):c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
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+675,thiazole_amine_K(1),n:1:c3:c(:c:c2:c:1nc(s2)-[#7])sc(n3)-[#7],PAINS,6
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+677,thio_amide_E(1),c:1:c(:n:c:c:c:1)-[#6](=[#16])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6
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+679,sulfonamide_G(1),[#6](-[#1])(-[#1])(-[#1])-c:1:c(:c(:c(:c(:n:1)-[#7](-[#1])-[#16](-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])(=[#8])=[#8])-[#1])-[#1])-[#1],PAINS,6
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+686,sulfonamide_H(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-c:2:n:n:c(:c(:c:2-[#1])-[#1])-[#1],PAINS,6
+687,het_565_indole(1),c2(c(-[#1])n(-[#6](-[#1])-[#1])c:3:c(:c(:c:1n(c(c(c:1:c2:3)-[#1])-[#1])-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6
+688,pyrrole_J(1),c1(c-2c(c(n1-[#6](-[#8])=[#8])-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#16]-2)-[#6](-[#1])-[#1],PAINS,6
+689,pyrazole_amino_B(1),s1ccnc1-c2c(n(nc2-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
+690,pyrrole_K(1),c1(c(c(c(n1-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+691,anthranil_acid_I(1),c:1:2(:c(:c(:c(:o:1)-[#6])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6]:2-[#6](=[#8])-[#8]-[#1],PAINS,6
+692,thio_amide_F(1),[!#1]:[#6]-[#6](=[#16])-[#7](-[#1])-[#7](-[#1])-[#6]:[!#1],PAINS,6
+693,ene_one_C(1),[#6]-1(=[#8])-[#6](-[#6](-[#6]#[#7])=[#6](-[#1])-[#7])-[#6](-[#7])-[#6]=[#6]-1,PAINS,6
+694,het_65_H(1),c2(c-1n(-[#6](-[#6]=[#6]-[#7]-1)=[#8])nc2-c3cccn3)-[#6]#[#7],PAINS,6
+695,cyano_imine_D(1),[#8]=[#6]-1-[#6](=[#7]-[#7]-[#6]-[#6]-1)-[#6]#[#7],PAINS,6
+696,cyano_misc_A(1),c:2(:c:1:c:c:c:c:c:1:n:n:c:2)-[#6](-[#6]:[#6])-[#6]#[#7],PAINS,6
+697,ene_misc_C(1),c:1:c:c-2:c(:c:c:1)-[#6]=[#6]-[#6](-[#7]-2-[#6](=[#8])-[#7](-[#1])-c:3:c:c(:c(:c:c:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+698,het_66_E(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-c:3:c:c:c:c:c:3)-c:4:c:c:c:c:c:4-[#8]-[#1],PAINS,6
+699,keto_keto_beta_F(1),[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#6](-[#1])-[#6]#[#6],PAINS,6
+700,misc_naphthimidazole(1),c:1:c:4:c(:c:c2:c:1nc(n2-[#1])-[#6]-[#8]-[#6](=[#8])-c:3:c:c(:c:c(:c:3)-[#7](-[#1])-[#1])-[#7](-[#1])-[#1]):c:c:c:c:4,PAINS,6
+701,naphth_ene_one_C(1),c:2(:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#6]=[#6]-[#6]-3=[#7])-[#7],PAINS,6
+702,keto_phenone_C(1),c:2(:c:1:c:c:c:c:c:1:c-3:c(:c:2)-[#6](-c:4:c:c:c:c:c-3:4)=[#8])-[#8]-[#1],PAINS,6
+703,coumarin_C(1),[#6]-2(-[#6]=[#7]-c:1:c:c(:c:c:c:1-[#8]-2)-[Cl])=[#8],PAINS,6
+704,thio_est_cyano_A(1),[#6]-1=[#6]-[#7](-[#6](-c:2:c-1:c:c:c:c:2)(-[#6]#[#7])-[#6](=[#16])-[#16])-[#6]=[#8],PAINS,6
+705,het_65_imidazole(1),c2(nc:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])n2-[#6])-[#7](-[#1])-[#6](-[#7](-[#1])-c:3:c(:c:c:c:c:3-[#1])-[#1])=[#8],PAINS,6
+706,anthranil_acid_J(1),[#7](-[#1])(-[#6]:[#6])-c:1:c(-[#6](=[#8])-[#8]-[#1]):c:c:c(:n:1)-[#6]:[#6],PAINS,6
+707,colchicine_het(1),c:1-3:c(:c:c:c:c:1)-[#16]-[#6](=[#7]-[#7]=[#6]-2-[#6]=[#6]-[#6]=[#6]-[#6]=[#6]-2)-[#7]-3-[#6](-[#1])-[#1],PAINS,6
+708,ene_misc_D(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#6](-[#6])-[#16]-[#6]-2(-[#1])-[#1])-[#6],PAINS,6
+709,indole_3yl_alk_B(1),c:12:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#6]:[#6])n2-!@[#6]:[#6])-[#6](-[#1])-[#1],PAINS,6
+710,anil_OH_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c:c:c(:c:c:1-[#8]-[#1])-[#16](=[#8])(=[#8])-[#8]-[#1],PAINS,6
+711,thiazole_amine_L(1),s:1:c:c:c(:c:1-[#1])-c:2:c:s:c(:n:2)-[#7](-[#1])-[#1],PAINS,6
+712,pyrazole_amino_A(1),c1c(-[#7](-[#1])-[#1])nnc1-c2c(-[#6](-[#1])-[#1])oc(c2-[#1])-[#1],PAINS,6
+713,het_thio_N_5D(1),n1nscc1-c2nc(no2)-[#6]:[#6],PAINS,6
+714,anil_alk_indane(1),c:1(:c:c-3:c(:c:c:1)-[#7]-[#6]-4-c:2:c:c:c:c:c:2-[#6]-[#6]-3-4)-[#6;X4],PAINS,6
+715,anil_di_alk_N(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#6]-3-[#6](-[#6]#[#7])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#7]-2-3)-[#1],PAINS,6
+716,het_666_C(1),c:2-3:c(:c:c:1:c:c:c:c:c:1:c:2)-[#7](-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#7]-3)-[#6]:[#6]-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
+717,ene_one_D(1),[#6](-[#8]-[#1]):[#6]-[#6](=[#8])-[#6](-[#1])=[#6](-[#6])-[#6],PAINS,6
+718,anil_di_alk_indol(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#1])-[#16](=[#8])=[#8],PAINS,6
+719,anil_no_alk_indol_A(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#6](-[#1])-[#1])-[#1],PAINS,6
+720,dhp_amino_CN_G(1),"[#16;X2]-1-[#6]=[#6](-[#6]#[#7])-[#6](-[#6])(-[#6]=[#8])-[#6](=[#6]-1-[#7](-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6
+721,anil_di_alk_dhp(1),[#7]-2-[#6]=[#6](-[#6]=[#8])-[#6](-c:1:c:c:c(:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6]~3=[#6]-2~[#7]~[#6](~[#16])~[#7]~[#6]~3~[#7],PAINS,6
+722,anthranil_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#7](-[#1])-[#7](-[#1])-c:3:n:c:c:s:3,PAINS,6
+723,hzone_anthran_Z(1),c:1:c:2:c(:c:c:c:1):c(:c:3:c(:c:2):c:c:c:c:3)-[#6]=[#7]-[#7](-[#1])-c:4:c:c:c:c:c:4,PAINS,6
+724,ene_one_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](-[#1])-[#7]-[#6](=[#8])-[#6](-[#7](-[#1])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6](=[#8])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6
+725,het_76_A(1),s:1:c(:c(-[#1]):c(:c:1-[#6]-3=[#7]-c:2:c:c:c:c:c:2-[#6](=[#7]-[#7]-3-[#1])-c:4:c:c:n:c:c:4)-[#1])-[#1],PAINS,6
+726,thio_urea_N(1),o:1:c(:c(-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#6]-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6
+727,anil_di_alk_coum(1),c:1:c(:c:c:c:c:1)-[#7](-[#6]-[#1])-[#6](-[#1])-[#6](-[#1])-[#6](-[#1])-[#7](-[#1])-[#6](=[#8])-[#6]-2=[#6](-[#8]-[#6](-[#6](=[#6]-2-[#6](-[#1])-[#1])-[#1])=[#8])-[#6](-[#1])-[#1],PAINS,6
+728,ene_one_amide_B(1),c2-3:c:c:c:1:c:c:c:c:c:1:c2-[#6](-[#1])-[#6;X4]-[#7]-[#6]-3=[#6](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+729,het_thio_656c(1),c:1:c(:c:c:c:c:1)-[#6]-4=[#7]-[#7]:2:[#6](:[#7+]:c:3:c:2:c:c:c:c:3)-[#16]-[#6;X4]-4,PAINS,6
+730,het_5_ene(1),[#6]-2(=[#8])-[#6](=[#6](-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#7]=[#6](-c:1:c:c:c:c:c:1)-[#8]-2,PAINS,6
+731,thio_imide_A(1),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[#1])-[#6]-2=[#8])-[#16]-c:3:c:c:c:c:c:3,PAINS,6
+732,dhp_amidine_A(1),[#7]-1(-[#1])-[#7]=[#6](-[#7]-[#1])-[#16]-[#6](=[#6]-1-[#6]:[#6])-[#6]:[#6],PAINS,6
+733,thio_urea_O(1),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])-c:2:c(:c(:c(:o:2)-[#6]-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6
+734,anil_di_alk_O(1),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+735,thio_urea_P(1),[#8]=[#6]-!@n:1:c:c:c-2:c:1-[#7](-[#1])-[#6](=[#16])-[#7]-2-[#1],PAINS,6
+736,het_pyraz_misc(1),[#6](-[F])(-[F])-[#6](=[#8])-[#7](-[#1])-c:1:c(-[#1]):n(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6]):n:c:1-[#1],PAINS,6
+737,diazox_C(1),[#7]-2=[#7]-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#7]=[#7]-[#6]:[#6]-2,PAINS,6
+738,diazox_D(1),[#6]-2(-[#1])(-[#8]-[#1])-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#6](-[#1])(-[#8]-[#1])-[#6]=[#6]-2,PAINS,6
+739,misc_cyclopropane(1),[#6]-1(-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#1])(-[#6](=[#8])-[#7](-[#1])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])(-[#1])-[#8])-[#16](=[#8])(=[#8])-[#6]:[#6],PAINS,6
+740,imine_ene_one_B(1),[#6]-1:[#6]-[#6](=[#8])-[#6]=[#6]-1-[#7]=[#6](-[#1])-[#7](-[#6;X4])-[#6;X4],PAINS,6
+741,coumarin_D(1),c:1:c:c(:c:c-2:c:1-[#6](=[#6](-[#1])-[#6](=[#8])-[#8]-2)-c:3:c:c:c:c:c:3)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#8]:[#6],PAINS,6
+742,misc_furan_A(1),c:1:c(:o:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-c:2:c:c-3:c(:c:c:2)-[#8]-[#6](-[#8]-3)(-[#1])-[#1],PAINS,6
+743,rhod_sat_E(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#7](-[#1])-c:2:c:c:c:c:3:c:c:c:c:c:2:3)-[#6]-4=[#8],PAINS,6
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+746,het_thio_5_imine_B(1),[#7]-1(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6]:[#6])-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6
+747,het_thio_5_imine_C(1),[#16]-1-[#6](=[#7]-[#7]-[#1])-[#16]-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6
+748,ene_five_het_N(1),"[#6]-2(=[#8])-[#6](=[#6](-[#1])-c:1:c(:c:c:c(:c:1)-[F,Cl,Br,I])-[#8]-[#6](-[#1])-[#1])-[#7]=[#6](-[#16]-[#6](-[#1])-[#1])-[#16]-2",PAINS,6
+749,thio_carbam_A(1),[#6](-[#1])(-[#1])-[#16]-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+750,misc_anilide_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+751,misc_anilide_B(1),c:1(:c(:c:c(:c:c:1-[#6])-[Br])-[#6])-[#7](-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]-[#6]-[#6],PAINS,6
+752,mannich_B(1),c:1-2:c(:c:c:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6]:[#6]-[#8]-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#1],PAINS,6
+753,mannich_catechol_A(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#8])-[#8])-[#1],PAINS,6
+754,anil_alk_D(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+755,het_65_I(1),n:1:2:c:c:c(:c:c:1:c:c(:c:2-[#6](=[#8])-[#6]:[#6])-[#6]:[#6])-[#6](~[#8])~[#8],PAINS,6
+756,misc_urea_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#6;X4])(-[#6;X4])-[#7](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+757,imidazole_C(1),[#6]-3(-[#1])(-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[Br])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1],PAINS,6
+758,styrene_imidazole_A(1),[#6](=[#6](-[#1])-[#6](-[#1])(-[#1])-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])(-[#6]:[#6])-[#6]:[#6],PAINS,6
+759,thiazole_amine_M(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:n:c:c:2)-[#7](-[#1])-[#6]:[#6]-[#6](-[#1])-[#1],PAINS,6
+760,misc_pyrrole_thiaz(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:c:c:c:2)-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-c:3:c:c:c:n:3-[#1],PAINS,6
+761,pyrrole_L(1),n:1(-[#1]):c(:c(-[#6](-[#1])-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#8]-[#6](-[#1])-[#1],PAINS,6
+762,het_thio_65_D(1),"c:2(:n:c:1:c(:c(:c:c(:c:1-[#1])-[F,Cl,Br,I])-[#1]):n:2-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6]",PAINS,6
+763,ene_misc_E(1),c:1(:c(:c-2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]=[#6]-[#6](-[#1])-[#16]-2)-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
+764,thio_cyano_A(1),[#7]-1(-[#1])-[#6](=[#16])-[#6](-[#1])(-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6]-1-[#6]:[#6])-[#1],PAINS,6
+765,cyano_amino_het_B(1),n:1:c(:c(:c(:c(:c:1-[#16;X2]-c:2:c:c:c:c:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-c:3:c:c:c:c:c:3)-[#6]#[#7])-[#7](-[#1])-[#1],PAINS,6
+766,cyano_pyridone_G(1),[#7]-2(-c:1:c:c:c(:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-n:3:c:n:c:c:3)-[#6]#[#7],PAINS,6
+767,het_65_J(1),o:1:c(:c:c:2:c:1:c(:c(:c(:c:2-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](~[#8])~[#8],PAINS,6
+768,ene_one_yne_A(1),[#6]#[#6]-[#6](=[#8])-[#6]#[#6],PAINS,6
+769,anil_OH_no_alk_B(1),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#8]-[#1])-[#6]=[#8])-[#1])-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
+770,hzone_acyl_misc_A(1),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[$([#1]),$([#6](-[#1])-[#1])])-c:2:c:c:c:c(:c:2)-[*]-[*]-[*]-c:3:c:c:c:o:3",PAINS,6
+771,thiophene_F(1),[#16](=[#8])(=[#8])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6
+772,anil_OC_alk_E(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6](-[#1])-[#1],PAINS,6
+773,anil_OC_alk_F(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6]=[#8])-[#16],PAINS,6
+774,het_65_K(1),n1nnnc2cccc12,PAINS,6
+775,het_65_L(1),c:1-2:c(-[#1]):s:c(:c:1-[#6](=[#8])-[#7]-[#7]=[#6]-2-[#7](-[#1])-[#1])-[#6]=[#8],PAINS,6
+776,coumarin_E(1),c:1-3:c(:c:2:c(:c:c:1-[Br]):o:c:c:2)-[#6](=[#6]-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
+777,coumarin_F(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:o:c:c:2-[Br])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
+778,coumarin_G(1),"c:1-2:c(:c:c(:c:c:1-[F,Cl,Br,I])-[F,Cl,Br,I])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#1])-[#6](=[#7]-[#1])-[#8]-2)-[#1]",PAINS,6
+779,coumarin_H(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:c(:c:s:2)-[#6]:[#16]:[#6]-[#1])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
+780,het_thio_67_A(1),[#6](-[#1])(-[#1])-[#16;X2]-c:2:n:n:c:1-[#6]:[#6]-[#7]=[#6]-[#8]-c:1:n:2,PAINS,6
+781,sulfonamide_I(1),[#16](=[#8])(=[#8])(-c:1:c:n(-[#6](-[#1])-[#1]):c:n:1)-[#7](-[#1])-c:2:c:n(:n:c:2)-[#6](-[#1])(-[#1])-[#6]:[#6]-[#8]-[#6](-[#1])-[#1],PAINS,6
+782,het_65_mannich(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#8]-2)-[#6](-[#1])(-[#1])-[#7]-3-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6]-3)-[#1])-[#1])-[#1],PAINS,6
+783,anil_alk_A(1),[#6](-[#1])(-[#1])-[#8]-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c:1:n(:c(:n:c:1:c:2-[#1])-[#1])-[#6]-[#1])-[#1])-[#1],PAINS,6
+784,het_5_inium(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#7+](-c:2:c:c:c:c:c:2)-[#6](=[#7]-c:3:c:c:c:c:c:3)-[#7]-4)-[#1],PAINS,6
+785,anil_di_alk_P(1),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:1:s:c(:n:c:1:c:2)-[#16]-[#6](-[#1])-[#1],PAINS,6
+786,thio_urea_Q(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(-[#1]):c(:c:2-[#1])-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6]:[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6
+787,thio_pyridine_A(1),[#6]:1(:[#7]:[#6](:[#7]:[!#1]:[#7]:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#16]-[#6;X4],PAINS,6
+788,melamine_B(1),n:1:c(:n:c(:n:c:1-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6]-[#1])-[#6]=[#8],PAINS,6
+789,misc_phthal_thio_N(1),c:1(:n:s:c(:n:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](=[#8])-c:2:c:c:c:c:c:2-[#6](=[#8])-[#8]-[#1])-c:3:c:c:c:c:c:3,PAINS,6
+790,hzone_acyl_misc_B(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-c:2:c:c:c:c:c:2-[#8]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+791,tert_butyl_B(1),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1],PAINS,6
+792,diazox_E(1),[#7](-[#1])(-[#1])-c:1:c(-[#7](-[#1])-[#1]):c(:c(-[#1]):c:2:n:o:n:c:1:2)-[#1],PAINS,6
+793,anil_NH_no_alk_B(1),"[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1])-[F,Cl,Br,I])-[#1]",PAINS,6
+794,anil_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7]=[#6]-2-[#6](=[#6]~[#6]~[#6]=[#6]-2)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+795,anil_no_alk_B(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-n:2:c:c:c:c:2)-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6
+796,thio_ene_amine_A(1),[#16]=[#6]-[#6](-[#6](-[#1])-[#1])=[#6](-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+797,het_55_B(1),[#6]-1:[#6]-[#8]-[#6]-2-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#6]-1-2,PAINS,6
+798,cyanamide_A(1),[#8]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-[#6](=[#7]-[#6]#[#7])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6
+799,ene_one_one_A(1),[#8]=[#6]-[#6]-1=[#6](-[#16]-[#6](=[#6](-[#1])-[#6])-[#16]-1)-[#6]=[#8],PAINS,6
+800,ene_six_het_D(1),[#8]=[#6]-1-[#7]-[#7]-[#6](=[#7]-[#6]-1=[#6]-[#1])-[!#1]:[!#1],PAINS,6
+801,ene_cyano_E(1),[#8]=[#6]-[#6](-[#1])=[#6](-[#6]#[#7])-[#6],PAINS,6
+802,ene_cyano_F(1),[#8](-[#1])-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#1])-c:2:c(-[#1]):c(:c(:o:2)-[#6](-[#1])=[#6](-[#6]#[#7])-c:3:n:c:c:n:3)-[#1])-[#1])-[#1],PAINS,6
+803,hzone_furan_C(1),c:1:c(:c:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2)-[#7]=[#6](-[#1])-[#6]:3:[#6](:[#6](:[#6](:[!#1]:3)-c:4:c:c:c:c(:c:4)-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6
+804,anil_no_alk_C(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-c:2:c(-[#1]):c(:c(-[#6](-[#1])-[#1]):o:2)-[#6]=[#8])-[#1])-[#1],PAINS,6
+805,hzone_acid_D(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c(:c:c:1)-[#7]-[#7]=[#6](-[#1])-[#6]:2:[#6](:[#6](:[#6](:[!#1]:2)-c:3:c:c:c:c:c:3)-[#1])-[#1],PAINS,6
+806,hzone_furan_E(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c:c(:c:1)-[#6]:[!#1]:[#6]-[#6]=[#7]-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#8],PAINS,6
+807,het_6_pyridone_NH2(1),[#8](-[#1])-[#6]:1:[#6](:[#6]:[!#1]:[#6](:[#7]:1)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8],PAINS,6
+808,imine_one_fives_D(1),[#6]-1(=[!#6&!#1])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6
+809,pyrrole_M(1),n2(-c:1:c:c:c:c:c:1)c(c(-[#1])c(c2-[#6]=[#7]-[#8]-[#1])-[#1])-[#1],PAINS,6
+810,pyrrole_N(1),n2(-[#6](-[#1])-c:1:c(:c(:c:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#1])c(c2-[#6]-[#1])-[#1])-[#6]-[#1],PAINS,6
+811,pyrrole_O(1),n1(-[#6](-[#1])-[#1])c(c(-[#6](=[#8])-[#6])c(c1-[#6]:[#6])-[#6])-[#6](-[#1])-[#1],PAINS,6
+812,ene_cyano_G(1),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6](-[#6]#[#7])-c:2:n:c:c:s:2)-[#1])-[#1],PAINS,6
+813,sulfonamide_J(1),n3(-c:1:c:c:c:c:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c:s:2)c(c(-[#1])c(c3-[#1])-[#1])-[#1],PAINS,6
+814,misc_pyrrole_benz(1),n2(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])c(c(-[#1])c(c2-[#1])-[#1])-[#1],PAINS,6
+815,thio_urea_R(1),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=[#8],PAINS,6
+816,ene_one_one_B(1),[#6]-1(-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6]-[#6](-[#1])(-[#1])-[#6]-1=[#8])=[#6](-[#7]-[#1])-[#6]=[#8],PAINS,6
+817,dhp_amino_CN_H(1),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#16]-[#6;X4]-[#16]-1,PAINS,6
+818,het_66_anisole(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:c:c:n:c:3:c(:c:c:c(:c:2:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
+819,thiazole_amine_N(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:n:c(:c:s:2)-c:3:c:c:c(:c:c:3)-[#8]-[#6](-[#1])-[#1],PAINS,6
+820,het_pyridiniums_C(1),[#6]~1~3~[#7](-[#6]:[#6])~[#6]~[#6]~[#6]~[#6]~1~[#6]~2~[#7]~[#6]~[#6]~[#6]~[#7+]~2~[#7]~3,PAINS,6
+821,het_5_E(1),[#7]-3(-c:2:c:1:c:c:c:c:c:1:c:c:c:2)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6
+822,"2,2-dimethyl-4,5-dicarboxy-dithiole",C1(C)(C)SC(C(=O)O)=C(C(=O)O)S1,SureChEMBL,5
+823,"2,3,4_trihydroxyphenyl",c([OH])c([OH])c([OH]),SureChEMBL,5
+824,"2,3,5_trihydroxyphenyl",c([OH])c([OH])cc([OH]),SureChEMBL,5
+825,acid_anhydrides,C(=O)OC(=O),SureChEMBL,5
+826,acid_halides,"[S,C](=[O,S])[F,Br,Cl,I]",SureChEMBL,5
+827,Acridine,c1c2cc4ccccc4nc2ccc1,SureChEMBL,5
+828,Active_Phosphate,"P(=S)([OH1,O$(O[#6])])([OH1,O$(O[#6])])[S,O]",SureChEMBL,5
+829,acyl_cyanide,C(=O)-C#N,SureChEMBL,5
+830,Adjacent_Ring_Double_Bonds,[*;R]=[*;R]=[*;R],SureChEMBL,5
+831,Aldehyde,[#6][C!H0]=O,SureChEMBL,5
+832,Aliphatic_Triflate,COS(=O)(=O)C(F)(F)F,SureChEMBL,5
+833,alkyl_halides,"[Br,Cl,I][CX4;CH,CH2]",SureChEMBL,5
+834,AlkylEnamine,"[C;H1$(C([#6;!$(C=O)])),H0$(C([#6;!$(C=O)])[#6;!$(C=O)])]=[CH1]!@N([#6;!$(C(=O))])[#6;!$(C(=O))]",SureChEMBL,5
+835,Allene,*=C=*,SureChEMBL,5
+836,Alpha_Halo_Carbonyl,"[C;!$(C[N])](=O)!@[C;h1,h2;H1,H2][F,Cl,Br,I]",SureChEMBL,5
+837,amidotetrazole,c1nnnn1C=O,SureChEMBL,5
+838,Amino_Naphtalimide,c1(N)ccc(C(=O)NC3(=O))c(c3ccc2)c21,SureChEMBL,5
+839,Aminonitrile,NC#N,SureChEMBL,5
+840,Anhydride,[#6]C(=O)OC(=O)[#6],SureChEMBL,5
+841,Any_Carbazide,O=*N=[N+]=[N-],SureChEMBL,5
+842,aromatic_azides,cN=N=N,SureChEMBL,5
+843,Azanitrone,N=[N+]([O-])C,SureChEMBL,5
+844,azoalkanals,[N;R0]=[N;R0]CC=O,SureChEMBL,5
+845,Azobenzene,c1ccccc1[N!r]=[N!r]c2ccccc2,SureChEMBL,5
+846,Azocyanamide,[N;R0]=[N;R0]C#N,SureChEMBL,5
+847,b-Carbonyl_Quaternary_Nitrogen,"C(=O)CC[N+,n+]",SureChEMBL,5
+848,benzylic_quaternary_nitrogen,"cC[N+,NX4]",SureChEMBL,5
+849,beta-carbonyl_quaternary_nitrogen,"C(=O)C[N+,n+,NX4,nX4]",SureChEMBL,5
+850,Beta-Fluoro-ethyl-ON,"[C;H2$(CF),H1$(C(F)F)]!@[CH2][N,O]",SureChEMBL,5
+851,biotin_analogue,C12C(NC(N1)=O)CSC2,SureChEMBL,5
+852,carbazides,C(=O)N=N=N,SureChEMBL,5
+853,carbodiimides,N=C=N,SureChEMBL,5
+854,CCl3-CHO_releasing,"C(Cl)(Cl)(Cl)C([O,S])[NX3]",SureChEMBL,5
+855,Chloramidine,[Cl]C([C&R0])=N,SureChEMBL,5
+856,Conjugated_Dithioether,SC(=[!r])S,SureChEMBL,5
+857,Crown_Ether_12CRO4,O1CCOCCOCCOCC1,SureChEMBL,5
+858,Crown_Ether_15CRO5,O1CCOCCOCCOCCOCC1,SureChEMBL,5
+859,Crown_Ether_16CRO6,O1CCOCCOCCOCCOCCOCC1,SureChEMBL,5
+860,crown_ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],SureChEMBL,5
+861,cyanamide,N[CH2]C#N,SureChEMBL,5
+862,Cyanophosphonate,P(OCC)(OCC)(=O)C#N,SureChEMBL,5
+863,Cyanohydrin,N#CC[OH1],SureChEMBL,5
+864,di_and_triphosphates,P(=O)([OH])OP(=O)[OH],SureChEMBL,5
+865,Diacetylene,C#CC#C,SureChEMBL,5
+866,Diazoalkane,C=[N+]=[N-],SureChEMBL,5
+867,Diazonium_Salt,[N+]#N,SureChEMBL,5
+868,Diene,C!@=[CH1]-C!@=[CH1]-[CX3](=O),SureChEMBL,5
+869,Dinitrobenzene_1,c1c([N+](=O)[O-])c([N+](=O)[O-])ccc1,SureChEMBL,5
+870,Dinitrobenzene_2,c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1,SureChEMBL,5
+871,Dinitrobenzene_3,c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1,SureChEMBL,5
+872,disulfides,[SX2][SX2],SureChEMBL,5
+873,Dithiocarbamate,NC(=S)S,SureChEMBL,5
+874,Dithiole-2-thione,S1SC=CC1=S,SureChEMBL,5
+875,Dithiole-3-thione,S1C=CSC1=C,SureChEMBL,5
+876,Dithiomethylene_acetal,S[C;!$(C=*)]S,SureChEMBL,5
+877,Enyne,C=!@CC#C,SureChEMBL,5
+878,"epoxides,_thioepoxides,_aziridines","C1[O,S,N]C1",SureChEMBL,5
+879,ester_of_HOBT,C(=O)Onnn,SureChEMBL,5
+880,Flavin,"c1cccc(NC(=NC(=[N,S,O])NC(=O)3)C3=N2)c12",SureChEMBL,5
+881,Fluorescein,c1cc(O)cc(OC(=CC(=O)C=C3)C3=C2)c12,SureChEMBL,5
+882,Fluorinated_Carbon_1,C(C(CF)F)F,SureChEMBL,5
+883,Fluorinated_Carbon_2,C(C(F)F)(F)F,SureChEMBL,5
+884,four_member_lactones,C1(=O)OCC1,SureChEMBL,5
+885,geminal_amines,[NH1;!r][CX4][NH1;!r],SureChEMBL,5
+886,geminal_dinitriles,N#CCC#N,SureChEMBL,5
+887,"halo-pyridine,_-diazoles_and_-triazoles","[Cl,Br,I]c1[c,n][c,n][c,n][c,n]n1",SureChEMBL,5
+888,hydrazothiourea,N=NC(S)N,SureChEMBL,5
+889,Imidazolium,c1[n+]([#6])ccn1([#6]),SureChEMBL,5
+890,Imine2,"[#6,#8,#16]-[CH1]=[NH1]",SureChEMBL,5
+891,imines_(not_ring),"[#6][C;R0](=[N;R0,O0])[#6]",SureChEMBL,5
+892,isocyanates_and_isothiocyanates,"N=C=[S,O]",SureChEMBL,5
+893,isonitrile,[N+]#[C-],SureChEMBL,5
+894,ketene,C=C=O,SureChEMBL,5
+895,Lawesson_Reagent_Derivatives,P(=S)(S)S,SureChEMBL,5
+896,"methylidene-1,3-dithiole",S1C=CSC1=S,SureChEMBL,5
+897,Michael_Phenyl_Ketone,c1ccccc1C(=O)C=!@CC(=O)!@*,SureChEMBL,5
+898,N-halo,"[NX3,NX4][F,Cl,Br,I]",SureChEMBL,5
+899,Nitrobenz-azadiazole_1,"c1ccc(n[o,s]n2)c2c1[N+](=O)[O-]",SureChEMBL,5
+900,Nitrobenz-azadiazole_2,"c1c([N+](=O)[O-])cc(n[o,s]n2)c2c1",SureChEMBL,5
+901,nitrosamine,N-[N;X2](=O),SureChEMBL,5
+902,nitroso,[N&D2](=O),SureChEMBL,5
+903,noname,"N1=C[S,NH1]C(=[C,N,P][C,N,O,P])C1(=O)",SureChEMBL,5
+904,N-Oxide_aliphatic,[N+!$(N=O)][O-X1],SureChEMBL,5
+905,N-S_(not_sulfonamides),[#6][S!$(S(~[OD1])~[OD1])][N;H0],SureChEMBL,5
+906,Orthoester,C(O)(O)[OH],SureChEMBL,5
+907,o-tertbutylphenol,c1c([OH1])c(C(C)(C)C)ccc1,SureChEMBL,5
+908,Oxobenzothiepine,C1(=O)C=CCSC=C1,SureChEMBL,5
+909,P_or_S_Halides,"[P,S][Cl,Br,F,I]",SureChEMBL,5
+910,p-Aminoaryl_diazo,Nc1aaa(N!@=N)aa1,SureChEMBL,5
+911,PCP,PCP,SureChEMBL,5
+912,paranitrophenyl_esters,C(=O)Oc1ccc([N+](=O)[O-])cc1,SureChEMBL,5
+913,pentahalophenyl,"c1c([F,Cl])c([F,Cl])c([F,Cl])c([F,Cl])c1([F,Cl])",SureChEMBL,5
+914,pentafluorophenyl_esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),SureChEMBL,5
+915,peroxide,[#8]~[#8],SureChEMBL,5
+916,Phenanthrene,c12cccc3c1c4c(cc3)cccc4cc2,SureChEMBL,5
+917,Phenylester,C(=O)!@Oc1ccccc1,SureChEMBL,5
+918,phosphonate_esters,[#6]P(=O)(~O)O[#6],SureChEMBL,5
+919,phosphoramides,NP(=O)(N)N,SureChEMBL,5
+920,phosphorane,C=P,SureChEMBL,5
+921,Phosphorus_Halide,"[S,P][F,Cl,Br,I]",SureChEMBL,5
+922,Polyene,C=!@CC=!@C,SureChEMBL,5
+923,polyenes,C=CC=CC=CC=C,SureChEMBL,5
+924,polyene_chain_between_aromatics,cC=CC=CC=Cc,SureChEMBL,5
+925,polyines,CC#CC#CC,SureChEMBL,5
+926,Polynuclear_Aromatic_1,c1cccc(cc(cccc2)c2c3)c13,SureChEMBL,5
+927,Polynuclear_Aromatic_2,c1cccc(c(cccc2)c2cc3)c13,SureChEMBL,5
+928,Polysulfide,*[SX2][SX2][SX2]*,SureChEMBL,5
+929,Sulphur_Halide,"[#16][F,Cl,Br,I]",SureChEMBL,5
+930,pyrene_fragments,c1c2cccc3c2c4c(cc3)cccc4c1,SureChEMBL,5
+931,Pyrylium,c1ccc[o+]c1,SureChEMBL,5
+932,reactive_carbonyls,"[C;!r](=[O,S])[S;!r]",SureChEMBL,5
+933,reactive_carbonyls,"[C;!r](=[O,S])[CD2;!r][F,Br,Cl]",SureChEMBL,5
+934,Ring_Triple_Bond,"[C,c;R]#[C,c;R]",SureChEMBL,5
+935,S=N_(not_ring),[S;R0]=[N;R0],SureChEMBL,5
+936,Sulfonate_Ester,O=[SX4](=O)OC,SureChEMBL,5
+937,sulfonyl_cyanide,S(=O)(=O)C#N,SureChEMBL,5
+938,Sulphate_Ester,"COS(=O)O[C,c]",SureChEMBL,5
+939,sulphonates,"COS(=O)(=O)[C,c]",SureChEMBL,5
+940,Sulphur_Nitrogen_single_bond,[SX2H0]!@[N],SureChEMBL,5
+941,Tetraazinane,C1NNC=NN1,SureChEMBL,5
+942,Thiocyanate,SC#N,SureChEMBL,5
+943,thioesters,"C[O,S;R0][C;R0](=S)",SureChEMBL,5
+944,thioles_(not_aromatic),[!a][SX2;H1],SureChEMBL,5
+945,Thiophosphothionate,"P(=S)(-[S;H1,H0$(S(P)C)])(-[O;H1,H0$(O(P)C)])(-N(C)C)",SureChEMBL,5
+946,thiourea,[N;!r][C;!r](=S)[N;!r],SureChEMBL,5
+947,Three_Membered_Heterocycle,"*1[O,S]*1",SureChEMBL,5
+948,Tri_Pentavalent_S,"[#16v3,#16v5]",SureChEMBL,5
+949,Triacyloxime,C(=O)N(C(=O))OC(=O),SureChEMBL,5
+950,Triazole,c1cnnn1!@C!@[NH1][#6],SureChEMBL,5
+951,triflate,OS(=O)(=O)(C(F)(F)(F)),SureChEMBL,5
+952,Triphenyl_Boranyl,B(c1ccccc1)(c2ccccc2)c3ccccc3,SureChEMBL,5
+953,triphenylphosphines,P(c1aaaaa1)(c1aaaaa1)(c1aaaaa1),SureChEMBL,5
+954,Triphenyl_Silyl,[Si](c1ccccc1)(c2ccccc2)(c3ccccc3),SureChEMBL,5
+955,Vinyl_Halide,"[Cl,Br,I]C=[!O!R]",SureChEMBL,5
+956,Vinyl_Sulphone,"[#6][CH1]!@=[CH1][S;H1,H0$(S(C)C)](=O)(=O)",SureChEMBL,5
+957,sulphates,[#6]S(=O)(=O)O,SureChEMBL,5
+958,tropone,C1C(=O)C=CC=CC=1,SureChEMBL,5
+959,Oxime,"[#6]C(=!@N[$(OC),$([OH])])[#6]",SureChEMBL,5
+960,hydrazone,[#6]C(=!@NNa)[#6],SureChEMBL,5
+961,Nitrosone_not_nitro,[$(N(~!@[#6])!@O);!$([N+]([O-])=O)],SureChEMBL,5
+962,Thiocarbonyl_group,C=S,SureChEMBL,5
+963,enamine_like,C=[NH],SureChEMBL,5
+964,analine,"c1ccccc1[NH2,NH3+]",SureChEMBL,5
+965,acid_anhydrides_2,"[#6]C(=O)!@OC(=!@[N,O])[#6]",SureChEMBL,5
+966,trifluroacetate_amide,FC(F)(F)C(=O)N,SureChEMBL,5
+967,triple_bond,[#6]C#[CH],SureChEMBL,5
+968,Allene,C=C=C,SureChEMBL,5
+969,thiatetrazolidine,"[$(Sc1nnn[nH,n-]1),$(Sc1nn[nH,n-]n1)]",SureChEMBL,5
+970,glycol,"[#6][O;R0][$(C([#6])[#6]),$([CH][#6]),$([CH2])][O;R0][#6]",SureChEMBL,5
+971,oxy-amide,[#6]C(=O)!@C!@C(=O)N,SureChEMBL,5
+972,formate_formide,"O=[CH][O,N][#6]",SureChEMBL,5
+973,pyranone,O=C1C=COC=C1,SureChEMBL,5
+974,Coumarin,c1cc2C=CC(=O)Oc2cc1,SureChEMBL,5
+975,aminothiazole,s1ccnc1[N!H0],SureChEMBL,5
+976,Thiazolidinone,O=C1CSCN1,SureChEMBL,5
+977,Thiomorpholinedione,N1C(=O)CSCC1=O,SureChEMBL,5
+978,oxepine,O1C=CC=CC=C1,SureChEMBL,5
+979,phenylethene,c1ccccc1!@[CH]=!@[C!H0],SureChEMBL,5
+980,Ethene,C=[CH2],SureChEMBL,5
+981,cyclobutene,C1CC=C1,SureChEMBL,5
+982,poly_sub_atomatic,*!@c1c(!@*)c(!@*)c(!@*)c(!@*)c1,SureChEMBL,5
+983,Isotopes,"[2#1,3#1,11C,11c,14C,14c,125I,32P,33P,35S]",SureChEMBL,5
+984,Undesirable_Elements_Salts,"[Ac,Ag,Am,Ar,As,At,Au,Ba,Be,Bi,Bk,Cd,Ce,Cf,Cm,Cr,Cs,Dy,Er,Eu,Fr,Ga,Gd,Ge,He,Hf,Ho,In,Ir,Kr,La,Lu,Mo,Nb,Nd,Ne,Ni,Np,Os,Pa,Pb,Pd,Pm,Po,Pr,Pt,Pu,Ra,Rb,Re,Rh,Rn,Ru,Sb,Sc,Se,Sm,Sr,Ta,Tb,Tc,Te,Th,Ti,Tl,Tm,U,V,W,Xe,Y,Yb,Zr]",SureChEMBL,5
+985,Metal_Carbon_bond,"[#6;$([#6]~[#3,#11,#12,#13,#19,#20,#26,#27,#28,#29,#30])]",SureChEMBL,5
+986,Aromatic_N-Oxide_more_than_one,[n+][O-X1].[n+][O-X1],SureChEMBL,5
+987,Nitro_more_than_one,[N+](=O)[O-].[N+](=O)[O-],SureChEMBL,5
+988,anhydride,C(=O)OC(=O),MLSMR,3
+989,pentafluorophenyl ester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),MLSMR,3
+990,p-nitrophenyl ester,C(=O)Oc1ccc([N+]([O-])=O)cc1,MLSMR,3
+991,any carbazide,O=*N=[N+]=[N-],MLSMR,3
+992,HOBT ester,C(=O)Onnn,MLSMR,3
+993,aromatic azide,cN=[N+]=[N-],MLSMR,3
+994,imine2,"[#6,#8,#16]-[CH1]=[NH1]",MLSMR,3
+995,sulfonyl cyanide,S(=O)(=O)C#N,MLSMR,3
+996,azocyanamide,[N;R0]=[N;R0]C#N,MLSMR,3
+997,cyanohydrin,N#CC[OH],MLSMR,3
+998,acyl cyanide,N#CC(=O),MLSMR,3
+999,acid halide,"[S,C](=[O,S])[F,Br,Cl,I]",MLSMR,3
+1000,chloramidine,[Cl]C([C&R0])=N,MLSMR,3
+1001,P/S halide,"[P,S][F,Cl,Br,I]",MLSMR,3
+1002,quaternary,"[C+,Cl+,I+,P+,S+]",MLSMR,3
+1003,unacceptable atoms,[!#6;!#7;!#8;!#16;!#1;!#3;!#9;!#11;!#12;!#15;!#17;!#19;!#20;!#30;!#35],MLSMR,3
+1004,triacyloxime,C(=O)N(C(=O))OC(=O),MLSMR,3
+1005,b-carbonyl quaternary nitrogen,"C(=O)CC[N+,n+]",MLSMR,3
+1006,benzylic quaternary nitrogen,cC[N+],MLSMR,3
+1007,phosphorane,C=P,MLSMR,3
+1008,Lawesson reagent derivatives,P(=S)(S)S,MLSMR,3
+1009,cyanophosphonate,P(OCC)(OCC)(=O)C#N,MLSMR,3
+1010,sulfonate,"COS(=O)(=O)[C,c]",MLSMR,3
+1011,Heteroaryl sulfonate,"a-S(=O)(=O)-O[$([a&!#6]),$(c[a&!#6]),$(cc[a&!#6]),$(ccc[a&!#6]),$(cccc[a&!#6]),$(ccccc[a&!#6])]",MLSMR,3
+1012,sulfate ester,"COS(=O)O[C,c]",MLSMR,3
+1013,triflate,OS(=O)(=O)C(F)(F)F,MLSMR,3
+1014,polyacidic,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",MLSMR,3
+1015,Sulfonic acid,[OH]-S(=O)(=O)-*,MLSMR,3
+1016,thiol,[SH],MLSMR,3
+1017,benzhydrol,[OH1]-C(-c1ccccc1)c2ccccc2,MLSMR,3
+1018,dihydroxybenzene,[OH1]c1ccc([OH1])cc1,MLSMR,3
+1019,"2,3,4trihydroxyphenyl",c([OH])c([OH])c([OH]),MLSMR,3
+1020,"2,4,5trihydroxyphenyl",c([OH])c([OH])cc([OH]),MLSMR,3
+1021,allene,*=C=*,MLSMR,3
+1022,Azide,N=N=N,MLSMR,3
+1023,azoalkanal,[N;R0]=[N;R0]CC=O,MLSMR,3
+1024,hydrazothiourea,N=NC(=S)N,MLSMR,3
+1025,Azo,N=N,MLSMR,3
+1026,aldehyde,[#6]-[CH1]=O,MLSMR,3
+1027,hemiacetal,[#6]-O[CH1](-[#6])[OH1],MLSMR,3
+1028,acetal,[#6]-O[CH1](-[#6])O-[#6],MLSMR,3
+1029,Ketone,[#6]-C(=O)-[#6],MLSMR,3
+1030,Ester,[#6]-C(=O)O-[#6],MLSMR,3
+1031,imine 1,"[#6,#8,#16]-C(=[NH1])[#6,#8,#16]",MLSMR,3
+1032,Imine 3,C=[NH],MLSMR,3
+1033,thioketone,CC(=S)C,MLSMR,3
+1034,thioester,"C[O,S;R0][C;R0](=S)",MLSMR,3
+1035,thionoester,COC(=S)C,MLSMR,3
+1036,thioamide,CC(=S)N,MLSMR,3
+1037,thiourea,NC(=S)N,MLSMR,3
+1038,nitroso,[N&D2](=O),MLSMR,3
+1039,long chain hydrocarbon,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],MLSMR,3
+1040,Long aliphatic chain,"[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]",MLSMR,3
+1041,Unbranched chain,"[$([A&D2]),$([A&D1])]!@[A&D2]!@[A&D2]!@[A&D2]!@[A&D2]!@[$([A&D2]),$([A&D1])]",MLSMR,3
+1042,polyene,C=CC=CC=CC=C,MLSMR,3
+1043,Dye 25,acC=&!@Cca,MLSMR,3
+1044,isonitrile,[N+]#[C-],MLSMR,3
+1045,thiocyanate,SC#N,MLSMR,3
+1046,cyanamide,N[CH2]C#N,MLSMR,3
+1047,Dye 16 (1),c([N+](=O)[O-]),MLSMR,3
+1048,nitro aromatic 2+,a-[N+](=O)[O-].a-[N+](=O)[O-],MLSMR,3
+1049,Dye 29,"O=[N+](-[O-])-caac-[$(N(C)C),$([NH]C),$([NH2])]",MLSMR,3
+1050,Dye 1 (1),"c1cccc(C(=O)[C,c]([#7])=,:[C,c]([#7])C2(=O))c12",MLSMR,3
+1051,Dye 7,"N=C1[#6]:,=[#6]C(=[C,N])[#6]:,=[#6]1",MLSMR,3
+1052,Dye 11,"*=,:[#6]C([#6]=,:*)[#6]=,:*",MLSMR,3
+1053,Dye 9,ac-*=&!@*-&!@C(=O)-&!@ca,MLSMR,3
+1054,Dye 32,"c1cccc2C(=O)C(C:,=*)C(=O)c12",MLSMR,3
+1055,Dye 6,c12cccc(C(=O)C(ca)C(=O)3)c2c3ccc1,MLSMR,3
+1056,Dye 22,NS(=O)(=O)c1cccc([#7])c1,MLSMR,3
+1057,Dye 2,OCccCO,MLSMR,3
+1058,Dye 26,c1ccccc1-n2nnnc2[CH2]*,MLSMR,3
+1059,alkyl halide,"[Br,Cl,I][CX4,CH,CH2,CH3]",MLSMR,3
+1060,Perhalo_ketone,"O=CC(-[F,Cl,Br,I])([F,Cl,Br,I])-[F,Cl,Br,I]",MLSMR,3
+1061,Beta halo carbonyl,"O=CCC[F,Cl,Br,I]",MLSMR,3
+1062,4-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[n]:[c,n]:[c,n]1",MLSMR,3
+1063,2-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[c,n]:[c,n]:[n]1",MLSMR,3
+1064,Hetero_hetero,"*[N,S,O]-&!@[N,S,O][#6]",MLSMR,3
+1065,peroxide,OO,MLSMR,3
+1066,disulfide,SS,MLSMR,3
+1067,hydrazine,[#6]-[NH]-[NH]-[#6],MLSMR,3
+1068,acyl hydrazine,[N;R0][N;R0]C(=O),MLSMR,3
+1069,vinyl michael acceptor1,"[#6]-[CH1]=C-C(=O)[#6,#7,#8]",MLSMR,3
+1070,vinyl michael acceptor2,"[CH2]=C-C(=O)[#6,#7,#8]",MLSMR,3
+1071,michael acceptor 5,N#CC(=C)C#N,MLSMR,3
+1072,Michael acceptor 6,"[#6,#7]-&!@[#6](=&!@[CH])-&!@C(=O)-&!@[C,N,O,S]",MLSMR,3
+1073,alkynyl michael acceptor1,"[#6]-C#CC(=O)[#6,#7,#8]",MLSMR,3
+1074,alkynyl michael acceptor2,"[CH1]#CC(=O)-[#6,#7,#8]",MLSMR,3
+1075,nitroalkane,C[N+](=O)[O-],MLSMR,3
+1076,crown ether,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],MLSMR,3
+1077,nitrate,[#6]-O-[N+](=O)[O-],MLSMR,3
+1078,Oxalyl,O=C-&!@C=O,MLSMR,3
+1079,Dipeptide,*-C(=O)-&!@[NH]-C-&!@C(=O)-&!@[NH]-*,MLSMR,3
+1080,quaternary nitroxy,C[N+](-[O-])(C)C,MLSMR,3
+1081,Triphenylphosphine,a-P(-a)-a,MLSMR,3
+1082,Phosphoric acid,[OH]-P(=O)(-O)-*,MLSMR,3
+1083,Phosphoric ester,COP(=O)(-*)O,MLSMR,3
+1084,di/triphosphate,P(=O)([OH])OP(=O)[OH],MLSMR,3
+1085,tri phosphoric esters,[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6],MLSMR,3
+1086,phosphoramide,NP(=O)(N)N,MLSMR,3
+1087,Phenalene,c1(c)c2c(c)cccc2ccc1,MLSMR,3
+1088,(poly(azo(anthracene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1[c,n]c3:[c,n]:[c,n]:[c,n]:[c,n]:c3[c,n]2",MLSMR,3
+1089,(poly(azo(phenanthrene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1:[c,n]:[c,n]:c3:[c,n]:[c,n]:[c,n]:[c,n]:c23",MLSMR,3
+1090,Dye 31,a1aaac2ac3acac4aaac(c34)c12,MLSMR,3
+1091,Dye 4,c12ccccc1C(=O)c3ccccc3C2=O,MLSMR,3
+1092,Dye 8,c12cccc(C(=O)N(-&!@C)C(=O)3)c2c3ccc1,MLSMR,3
+1093,"epoxide, aziridine, thioepoxide","C1[O,S,N]C1",MLSMR,3
+1094,propiolactone,C1(=O)OCC1,MLSMR,3
+1095,b-lactam,N1CCC1=O,MLSMR,3
+1096,cycloheximide,O=C1CCCC(N1)=O,MLSMR,3
+1097,aromatic Sulfonic ester,"[#6,#7]-S(=O)(=O)Oc",MLSMR,3
+1098,quinone,"[$([o,n]=c1ccc(=[o,n])cc1),$([O,N]=C1C=CC(=[O,N])C=C1),$([O,N]=C1[#6]:,=[#6]C(=[O,N])[#6]:,=[#6]1)]",MLSMR,3
+1099,saponin,O1CCCCC1OC2CCC3CCCCC3C2,MLSMR,3
+1100,monensin,O1CCCCC1C2CCCO2,MLSMR,3
+1101,squalestatin,C12OCCC(O1)CC2,MLSMR,3
+1102,cyanidin,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,MLSMR,3
+1103,cytochalasin,O=C1NCC2CCCCC21,MLSMR,3
+1104,Filter1_2_halo_ether,"[Cl,Br,I][CX4][CX4][$([O,S,N]*),Cl,Br,I]",Inpharmatica,1
+1105,Filter2_acyl_phosphyl_sulfonyl_halide,"[C,S,P](=O)[F,Cl,Br,I]",Inpharmatica,1
+1106,Filter3_allyl_halide,"[F,Cl,Br,I][CX4]C=C",Inpharmatica,1
+1107,Filter4_alpha_halo_carbonyl,"[Br,Cl,I][C!H0]C=[O,S]",Inpharmatica,1
+1108,Filter5_azo,"[$([NX2R0]-[!#7]),$([NX2R0H1])]=[$([NX2R0]-[!#7]),$([NX2R0H1])]",Inpharmatica,1
+1109,Filter6_benzyl_halide,"[Br,Cl,I][CX4]c",Inpharmatica,1
+1110,Filter7_diazo,[!#7]~[NX2]~[NX1],Inpharmatica,1
+1111,Filter8_thio_isocyanat_diimin,"N=C=[N,O,P,S]",Inpharmatica,1
+1112,Filter9_metal,"[$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53]~[*]),$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53;h])]",Inpharmatica,1
+1113,Filter10_Terminal_vinyl,"[CH2]=[CH][N,O,P,S;R0]",Inpharmatica,1
+1114,Filter11_nitrosamin,[NR0]~[NX2]~[OX1],Inpharmatica,1
+1115,Filter12_nitroso,"[$([NX2]~*),$([NX2H])]~[OX1]",Inpharmatica,1
+1116,Filter13_PS_double_bond,"S=[$([PX2]~*),$([PX2H])]",Inpharmatica,1
+1117,Filter14_thio_oxopyrylium_salt,"c1ccc[s,o;X2]c1",Inpharmatica,1
+1118,Filter15_thiosulfate,[SX4](~S)(~O)(~O)~*,Inpharmatica,1
+1119,Filter16_trialkyl_phosphin,[PX3]([#6])([#6])[#6],Inpharmatica,1
+1120,Filter17_trialkyl_phosphin2,[PX4](~[!O!S])([#6])([#6])[#6],Inpharmatica,1
+1121,Filter18_oxime_ester,"[$([CX3H1]-[!#7]),$([CX3H2])]=NO[C,S,P](=O)*",Inpharmatica,1
+1122,Filter19_hydroxyimide_ester,O=C[NX3](C=O)OC(=O)*,Inpharmatica,1
+1123,Filter20_hydrazine,[Nv3X3][Nv3X3!H0],Inpharmatica,1
+1124,Filter21_cyanhydrin,[NX1]#C[CX4][OH],Inpharmatica,1
+1125,Filter22_sulfonium_salt,*[SX3](*)*,Inpharmatica,1
+1126,Filter23_ortho_quinone,C1(C=CC=CC1=O)=O,Inpharmatica,1
+1127,Filter24_react_imide,"*C([F,Cl,Br,I,$(OS(=O)(=O)*)])=[NX2]*",Inpharmatica,1
+1128,Filter25_sulfonyl_halide,"*S(=O)(=O)[F,Cl,Br,I]",Inpharmatica,1
+1129,Filter26_alkyl_halide,"AA[CH2][F,Cl,Br,I,$(OS(=O)(=O)*)]",Inpharmatica,1
+1130,Filter27_anhydride,"*[C,S](=O)O[C,S](=O)*",Inpharmatica,1
+1131,Filter28_halo_pyrimidine,"c1nc(ncc1)[Br,I]",Inpharmatica,1
+1132,Filter29_thioester,"CC(=[OX1,SX1,NH])[$([SX2]-*),$([SX2H])]",Inpharmatica,1
+1133,Filter30_beta_halo_carbonyl,"[$(C(-C)(-C)(=O)),$([CH](=O)-C)](=O)CC[Br,I]",Inpharmatica,1
+1134,Filter31_so_bond,"[SX2R0][OX2]",Inpharmatica,1
+1135,Filter32_oo_bond,"[OX2R0][OX2]",Inpharmatica,1
+1136,Filter33_c10_alkyl,[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2],Inpharmatica,1
+1137,Filter34_isotope,"[2#1,3#1,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]",Inpharmatica,1
+1138,Filter35_pp_bond,P-P,Inpharmatica,1
+1139,Filter36_ss_double_bond,S=S,Inpharmatica,1
+1140,Filter37_silicate,[Si]~O,Inpharmatica,1
+1141,Filter38_aldehyde,O=[CH]*,Inpharmatica,1
+1142,Filter39_imine,C[CR0]=[NR0][*!O],Inpharmatica,1
+1143,Filter40_epoxide_aziridine,"C1C[N,S,O]1",Inpharmatica,1
+1144,Filter41_12_dicarbonyl,*C(=O)C(=O)*,Inpharmatica,1
+1145,Filter42_12_dicarbonyl_tautomer,[*!$(C[OH])]=C([OH])C(=O)*,Inpharmatica,1
+1146,Filter43_michael_acceptor_sp1,C#CC=O,Inpharmatica,1
+1147,Filter44_michael_acceptor2,"[$([C!$(C1(=O)C=CC(=O)C=C1)]C),$([Ch]),$(C[OH0])](=O)C=[C!$(C[Nv3X3,OH])]",Inpharmatica,1
+1148,Filter45_allyl_halide2,"[Br,Cl,I][CX4]C=[C,N,P]",Inpharmatica,1
+1149,Filter46_nhalide,"N[F,Cl,Br,I]",Inpharmatica,1
+1150,Filter47_so2f,O=S(=O)(*)F,Inpharmatica,1
+1151,Filter48_foso,O=S(*)OF,Inpharmatica,1
+1152,Filter49_halogen,"[FX2,ClX2,BrX2,IX2,IX3,IX4,IX5]",Inpharmatica,1
+1153,Filter50_grignard,"C[Mg][F,Cl,Br,I]",Inpharmatica,1
+1154,Filter51_pn3,N[PX3](N)N,Inpharmatica,1
+1155,Filter52_NC_haloamine,"NC[F,Cl,Br,I]",Inpharmatica,1
+1156,Filter53_para_quinones,O=C1C=CC(=O)C=C1,Inpharmatica,1
+1157,Filter56_SS_bond,S-S,Inpharmatica,1
+1158,Filter57_polyphenol1,Oc1cc(O)cc(O)c1,Inpharmatica,1
+1159,Filter58_polyphenol2,Oc1c(O)cc(O)cc1,Inpharmatica,1
+1160,Filter59_phoshorous_ylide,C=P,Inpharmatica,1
+1161,Filter60_Acyclic_N-S,N!@[SX2],Inpharmatica,1
+1162,Filter61_phosphor_halide_and_P_S_bond,"[#15]~[F,Cl,Br,I,#16]",Inpharmatica,1
+1163,Filter62_oxo_thio_halide,"[O,S]~[Cl,Br,I]",Inpharmatica,1
+1164,Filter63_polyaromatic,a1aaaa2ccc3ccccc3c12,Inpharmatica,1
+1165,Filter64_halo_ketone_sulfone,"[#6][C,S](=[O,S])C[F,Cl,Br,I]",Inpharmatica,1
+1166,Filter65_alkyl_sulfonate,"[#6][P,S](~[OX1])(~[OX1])O[C!H0]",Inpharmatica,1
+1167,Filter66_c4_perfluoralkyl,C(F)(F)C(F)(F)C(F)(F)C(F)(F),Inpharmatica,1
+1168,Filter67_S_or_O_C_triplebond_N,"[O,S]C#N",Inpharmatica,1
+1169,Filter68_anthracene_acridine,a1aaac2cc3ccccc3cc12,Inpharmatica,1
+1170,Filter69_thio_carbonate,"[O,S]C(=[O,S])[O,S]",Inpharmatica,1
+1171,Filter70_AlkylCN2,*(C#N)C#N,Inpharmatica,1
+1172,Filter71_thio_anhydride,"*C(=[O,S])[O,S]C(=[O,S])*",Inpharmatica,1
+1173,Filter72_hydrated_di_ketone,C(=O)C([OH])[OH],Inpharmatica,1
+1174,Filter73_thio_ketone,CC(=S)C,Inpharmatica,1
+1175,Filter74_thiol,*[SX2H],Inpharmatica,1
+1176,Filter75_alkyl_Br_I,"[C!H0][Br,I]",Inpharmatica,1
+1177,Filter76_S_ester,CC(=S)O,Inpharmatica,1
+1178,Filter77_alkyl_NO2,"[*!#7]~[#6]-,=CN(~O)(~O)",Inpharmatica,1
+1179,Filter78_bicyclic_Imide,*~@C1C(=O)NC(=O)C(~@*)1,Inpharmatica,1
+1180,Filter79_maleimide,[CH]1C(=O)NC(=O)[CH]=1,Inpharmatica,1
+1181,Filter80_Thioepoxide_aziridone,"[N,S]1[C,N,S][C,N,S]1",Inpharmatica,1
+1182,Filter81_Thiocarbamate,"S!@C(=!@[O,S])!@[#7]",Inpharmatica,1
+1183,Filter82_pyridinium,"[c,n]1[c,n][c,n][c,n][c,n]n(C)1",Inpharmatica,1
+1184,Filter83_per_halo_chain,"[F,Cl,Br,I]C-,=;!@C([F,Cl,Br,I])-,=;!@C([F,Cl,Br,I])",Inpharmatica,1
+1185,Filter84_nitrogen_mustard,"[N,P,Se,S][C!H0]C[Br,Cl,I]",Inpharmatica,1
+1186,Filter85_keto_acrylonitrile,*C(=O)C(=!@[C!H0])C#N,Inpharmatica,1
+1187,Filter86_cyanamide,N#C[#7!$(N(C#N)=C(N)NC)],Inpharmatica,1
+1188,Filter87_crowns,"[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[O,N]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@C",Inpharmatica,1
+1189,Filter88_ene_sulfone,[C!H0]=CS(=O)(=O)*,Inpharmatica,1
+1190,Filter89_hydroxylamine,"[*!$(C=O)]!@N!@[$([OX2])]",Inpharmatica,1
+1191,Filter90_N_double_bond_S,N=!@S,Inpharmatica,1
+1192,Filter92_trityl,*(c1ccccc1)(c1ccccc1)(c1ccccc1),Inpharmatica,1
+1193,Filter93_acetyl_urea,C(=O)!@N!@C(=O)[#7],Inpharmatica,1
+1194,Filter94_2_halo_pyridine,"c1nc(ccc1)[Br,I,Cl,F]",Inpharmatica,1
+1195,aromatic NO2,O~N(=O)-c(:*):*,LINT,2
+1196,deuterium,[2H],LINT,2
+1197,C13,[13#6],LINT,2
+1198,2-chloropyridine,n1c(cccc1)Cl,LINT,2
+1199,aniline,[NH2D1]-c(:*):*,LINT,2
+1200,"Si,B,Se atoms","[Si,B,Se]",LINT,2
+1201,hetero imides,[!#6]-[CH2]-N1C(=O)CCC(=O)1,LINT,2
+1202,poly ethers,O[CH2][CH2]O-!@[CH2][CH2]O,LINT,2
+1203,acyclic imines,"[$([CX3R0]([#6])[#6]),$([CX3HR0][#6])]=[$([NX2R0][#6]),$([NX2HR0])]",LINT,2
+1204,alkyl esters of S or P,"[S,P](=O)OC",LINT,2
+1205,ugly P compounds,"P(=[O,S])[C,N]([C,N])[C,N]",LINT,2
+1206,"acyclic N-,=N and not N bound to carbonyl or sulfone","[N;!$(N-[C,S]=*)]-,=;!@[N;!$(N-[C,S]=*)]",LINT,2
+1207,acyclic N-C-N,N-!@[CX4]-!@N,LINT,2
+1208,acyclic N-S,N-!@[SX2]-*,LINT,2
+1209,mustards,"[N,S,O][CH2][CH2]-[F,Cl,Br,I]",LINT,2
+1210,aldehyde,O=[C!H0],LINT,2
+1211,"1,2-dicarbonyl not in ring",O=[CX3]-!@[CX3]=O,LINT,2
+1212,"carbamate, T-boc Protected",NC(OC([CH3])([CH3])[CH3])=O,LINT,2
+1213,"carbamate, CBZ Protected",NC(O[CH2]c1ccccc1)=O,LINT,2
+1214,carbamate include di-substitued N,OC(=O)-!@[NX3],LINT,2
+1215,acyl halide,"O=C-[F,Cl,Br,I]",LINT,2
+1216,alkyl halide,"[CH2]-[Cl,Br,I]",LINT,2
+1217,alpha halo carbonyl,"O=C-C-[F,Cl,Br,I]",LINT,2
+1218,sufonyl halide,"S(=O)(=O)-[F,Cl,Br,I]",LINT,2
+1219,N:C-SCH2 groups,[ND1]=C-!@[SX2]-[CH2D2],LINT,2
+1220,26,N-C(=S)-N,LINT,2
+1221,terminal vinyl,[CH2D1]=[CD2]-!@*,LINT,2
+1222,28,S=P~*,LINT,2
+1223,thio cyanates,S-C#N,LINT,2
+1224,thiols,*-[S!H0],LINT,2
+1225,thionyl,[Sv4](=O)(-!@[!#1])-!@[!#1],LINT,2
+1226,n-haloamines,"N-[F,Cl,Br,I]",LINT,2
+1227,N-C-Hal or cyano methyl,"N-C-[F,Cl,Br,I,$(C#N)]",LINT,2
+1228,alpha beta-unsaturated ketones; center of Michael reactivity,"[$(C#N),$(N(~O)~O),$(C=O),$(S(=O)=O),$(C(F)(F)F),Cl][C!H0]=[C!H0]",LINT,2
+1229,aliphatic ketone not ring and not di-carbonyl,[C;!$(C=*)][C!R](=O)[CH2D2],LINT,2
+1230,"aliphatic ester, not lactones",C[C!R](=O)[O!R][CH2D2],LINT,2
+1231,"long aliphatic chain, 6+",[CH2][CH2][CH2]-!@[CH2][CH2][CH2],LINT,2
+1232,quinones,"O=[#6]1[#6]:,=[#6][#6](=O)[#6]:,=[#6]1",LINT,2
+1233,acyclic C=C-O,C=C-!@O-*,LINT,2
+1234,acyclic C=N-H,[NH1X2]=[C!R;!$(C(-N)(=[NH1])-N)],LINT,2
+1235,acyclic NO not nitro,O-!@[N;!$(N(=O)=O);!$([N+](=O)[O-])],LINT,2
+1236,42,S-S,LINT,2
+1237,43,O~O,LINT,2
+1238,thioester,C-C(=O)[SD2],LINT,2
+1239,aziridine-like N in 3-membered ring,N~1~*~*1,LINT,2
+1240,epoxides,O~1C~*1,LINT,2
+1241,aryl iodide,I-c:*,LINT,2
+1242,aryl bromide,Br-c:*,LINT,2
+1243,multiple aromatic rings,a1aaa2a(a1)aaa(a2):a,LINT,2
+1244,multiple aromatic rings,"[!#1]-,:1-:a2a(-:[!#1]:3:a1aaaa3)aaaa2",LINT,2
+1245,S/PO3 groups,"[P,S](~O)(~O)~O",LINT,2
+1246,adamantyl,C12CC3CC(C1)CC(C2)C3,LINT,2
+1247,too many cyano Groups (>1),C#N.C#N,LINT,2
+1248,too many COOH groups (>1),[CX3](=O)[OH1].[CX3](=O)[OH1],LINT,2
+1249,amino acid,[NH2][CX4]C(=O)O,LINT,2
+1250,chlorates,Cl~O,LINT,2
+1251,high halogen content (>3),"[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I]",LINT,2
diff --git a/rd_filters/data/rules.json b/rd_filters/data/rules.json
index 6f66dcf..60dacfb 100644
--- a/rd_filters/data/rules.json
+++ b/rd_filters/data/rules.json
@@ -1,34 +1,8 @@
-{
-    "HBA": [
-        0,
-        10
-    ],
-    "HBD": [
-        0,
-        5
-    ],
-    "LogP": [
-        -5,
-        5
-    ],
-    "MW": [
-        0,
-        500
-    ],
-    "Rot": [
-        0,
-        10
-    ],
-    "Rule_BMS": false,
-    "Rule_Dundee": false,
-    "Rule_Glaxo": false,
-    "Rule_Inpharmatica": true,
-    "Rule_LINT": false,
-    "Rule_MLSMR": false,
-    "Rule_PAINS": false,
-    "Rule_SureChEMBL": false,
-    "TPSA": [
-        0,
-        200
-    ]
-}
\ No newline at end of file
+[
+  { "property": "HBA", "min": 0, "max": 10 },
+  { "property": "HBD", "min": 0, "max": 5 },
+  { "property": "LogP", "min": -5, "max": 5 },
+  { "property": "MW", "min": 0, "max": 500 },
+  { "property": "Rot", "min": 0, "max": 10 },
+  { "property": "TSPA", "min": 0, "max": 200 }
+]
diff --git a/rd_filters/rd_filters.py b/rd_filters/rd_filters.py
index d9f49bb..2af2c95 100644
--- a/rd_filters/rd_filters.py
+++ b/rd_filters/rd_filters.py
@@ -1,213 +1,178 @@
-#!/usr/bin/env python3
-
-import sys
-from rdkit import Chem
-from rdkit.Chem.Descriptors import MolWt, MolLogP, NumHDonors, NumHAcceptors, TPSA
-from rdkit.Chem.rdMolDescriptors import CalcNumRotatableBonds
+import csv
+import functools
+import json
+import logging
 import multiprocessing as mp
+from collections.abc import Generator, Iterable
+from dataclasses import dataclass, field
 from multiprocessing import Pool
-import time
-import pandas as pd
-import os
-import json
-from docopt import docopt
+from pathlib import Path
+from typing import Optional
+
 import pkg_resources
+import typer
+from rdkit import Chem
+from rdkit.Chem.Descriptors import TPSA, MolLogP, MolWt, NumHAcceptors, NumHDonors
+from rdkit.Chem.rdMolDescriptors import CalcNumRotatableBonds
 
-cmd_str = """Usage:
-rd_filters filter --in INPUT_FILE --prefix PREFIX [--rules RULES_FILE_NAME] [--alerts ALERT_FILE_NAME][--np NUM_CORES]
-rd_filters template --out TEMPLATE_FILE [--rules RULES_FILE_NAME]
-
-Options:
---in INPUT_FILE input file name
---prefix PREFIX prefix for output file names
---rules RULES_FILE_NAME name of the rules JSON file
---alerts ALERTS_FILE_NAME name of the structural alerts file
---np NUM_CORES the number of cpu cores to use (default is all)
---out TEMPLATE_FILE parameter template file name
-"""
-
-
-def read_rules(rules_file_name):
-    """
-    Read rules from a JSON file
-    :param rules_file_name: JSON file name
-    :return: dictionary corresponding to the contents of the JSON file
-    """
-    with open(rules_file_name) as json_file:
-        try:
-            rules_dict = json.load(json_file)
-            return rules_dict
-        except json.JSONDecodeError:
-            print(f"Error parsing JSON file {rules_file_name}")
-            sys.exit(1)
-
-
-def write_rules(rule_dict, file_name):
-    """
-    Write configuration to a JSON file
-    :param rule_dict: dictionary with rules
-    :param file_name: JSON file name
-    :return: None
-    """
-    ofs = open(file_name, "w")
-    ofs.write(json.dumps(rule_dict, indent=4, sort_keys=True))
-    print(f"Wrote rules to {file_name}")
-    ofs.close()
-
-
-def default_rule_template(alert_list, file_name):
-    """
-    Build a default rules template
-    :param alert_list: list of alert set names
-    :param file_name: output file name
-    :return: None
-    """
-    default_rule_dict = {
-        "MW": [0, 500],
-        "LogP": [-5, 5],
-        "HBD": [0, 5],
-        "HBA": [0, 10],
-        "TPSA": [0, 200],
-        "Rot": [0, 10]
-    }
-    for rule_name in alert_list:
-        if rule_name == "Inpharmatica":
-            default_rule_dict["Rule_" + rule_name] = True
+logger = logging.getLogger(__package__)
+_alerts_file = pkg_resources.resource_filename("rd_filters", "data/alerts.csv")
+_rules_file = pkg_resources.resource_filename("rd_filters", "data/rules.json")
+_rule_fns = {
+    "MW": MolWt,
+    "LogP": MolLogP,
+    "HBD": NumHDonors,
+    "HBA": NumHAcceptors,
+    "TPSA": TPSA,
+    "Rot": CalcNumRotatableBonds,
+}
+
+
+def _read_file(path: Path) -> list[dict]:
+    with path.open(encoding="utf8") as f:
+        if path.suffix == ".csv":
+            return list(csv.DictReader(f))
+        elif path.suffix in {".tsv", ".tab"}:
+            return list(csv.DictReader(f, delimiter="\t"))
+        elif path.suffix == ".json":
+            return json.load(f)
+
+
+@dataclass(frozen=True, repr=True, order=True)
+class Alert:
+    id: int
+    group: str
+    description: str
+    smarts: str = field()
+    priority: int
+
+    @functools.cached_property
+    def chem(self) -> str:
+        return Chem.MolFromSmarts(self.smarts)
+
+    @property
+    def name(self) -> str:
+        return f"{self.name}:{self.description.replace(' ', '-')}"
+
+
+@dataclass(frozen=True, repr=True, order=True)
+class Rule:
+    id: str | None
+    property: int
+    min: float
+    max: float
+
+    @property
+    def name(self):
+        if self.id is None:
+            return self.property
         else:
-            default_rule_dict["Rule_" + rule_name] = False
-    write_rules(default_rule_dict, file_name)
-
-
-def get_config_file(file_name, environment_variable):
-    """
-    Read a configuration file, first look for the file, if you can't find
-    it there, look in the directory pointed to by environment_variable
-    :param file_name: the configuration file
-    :param environment_variable: the environment variable
-    :return: the file name or file_path if it exists otherwise exit
-    """
-    if os.path.exists(file_name):
-        return file_name
-    else:
-        config_dir = os.environ.get(environment_variable)
-        if config_dir:
-            config_file_path = os.path.join(os.path.sep, config_dir, file_name)
-            if os.path.exists(config_file_path):
-                return config_file_path
-
-    error_list = [f"Could not file {file_name}"]
-    if config_dir:
-        err_str = f"Could not find {config_file_path} based on the {environment_variable}" + \
-                  "environment variable"
-        error_list.append(err_str)
-    error_list.append(f"Please check {file_name} exists")
-    error_list.append(f"Or in the directory pointed to by the {environment_variable} environment variable")
-    print("\n".join(error_list))
-    sys.exit(1)
+            return self.id
+
+
+@dataclass(frozen=True, repr=True, order=True)
+class Input:
+    smiles: str
+    id: str
 
 
+@dataclass(frozen=True, repr=True, order=True)
+class Violation:
+    smiles: str
+    id: str
+    violation: str
+
+    @property
+    def msg(self) -> str:
+        return f"{self.id}: {self.violation}"
+
+
+def _read_input_file(path: Path) -> list[Input]:
+    if path.suffix in {".txt", ".smi", ".smiles"}:
+        lines = path.read_text(encoding="utf8").splitlines()
+        return [Input(s, s) for s in lines]
+    return [Input(**x) for x in _read_file(path)]
+
+
+def _read_alerts_file(path: Path) -> list[Alert]:
+    return [Alert(**x) for x in _read_file(path)]
+
+
+def _read_rules_file(path: Path) -> list[Rule]:
+    return [Rule(**x) for x in _read_file(path)]
+
+
+@dataclass(frozen=True)
 class RDFilters:
-    def __init__(self, rules_file_name):
-        good_name = get_config_file(rules_file_name, "FILTER_RULES_DIR")
-        self.rule_df = pd.read_csv(good_name)
-        # make sure there wasn't a blank line introduced
-        self.rule_df = self.rule_df.dropna()
-        self.rule_list = []
-
-    def build_rule_list(self, alert_name_list):
-        """
-        Read the alerts csv file and select the rule sets defined in alert_name_list
-        :param alert_name_list: list of alert sets to use
-        :return:
-        """
-        self.rule_df = self.rule_df[self.rule_df.rule_set_name.isin(alert_name_list)]
-        tmp_rule_list = self.rule_df[["rule_id", "smarts", "max", "description"]].values.tolist()
-        for rule_id, smarts, max_val, desc in tmp_rule_list:
-            smarts_mol = Chem.MolFromSmarts(smarts)
-            if smarts_mol:
-                self.rule_list.append([smarts_mol, max_val, desc])
+    alerts: list[Alert]
+    rules: list[Rule]
+
+    def __post_init__(self):
+        for rule in self.rules:
+            if rule.property not in _rule_fns:
+                raise KeyError(f"Property '{rule.property}' of rule '{rule.name} is unknown")
+
+    def detect_all(self, inputs: Iterable[Input]) -> Generator[Violation, None, None]:
+        for inp in inputs:
+            for msg in self.detect(inp.smiles):
+                yield Violation(inp.smiles, inp.id, msg)
             else:
-                print(f"Error parsing SMARTS for rule {rule_id}", file=sys.stderr)
-
-    def get_alert_sets(self):
-        """
-        :return: a list of unique rule set names
-        """
-        return self.rule_df.rule_set_name.unique()
-
-    def evaluate(self, lst_in):
-        """
-        Evaluate structure alerts on a list of SMILES
-        :param lst_in: input list of [SMILES, Name]
-        :return: list of alerts matched or "OK"
-        """
-        smiles, name = lst_in
+                yield Violation(inp.smiles, inp.id, "OK")
+
+    def detect(self, smiles: str) -> Generator[str, None, None]:
         mol = Chem.MolFromSmiles(smiles)
         if mol is None:
-            return [smiles, name, 'INVALID', -999, -999, -999, -999, -999, -999]
-        desc_list = [MolWt(mol), MolLogP(mol), NumHDonors(mol), NumHAcceptors(mol), TPSA(mol),
-                     CalcNumRotatableBonds(mol)]
-        for row in self.rule_list:
-            patt, max_val, desc = row
-            if len(mol.GetSubstructMatches(patt)) > max_val:
-                return [smiles, name] + [desc + " > %d" % (max_val)] + desc_list
-        return [smiles, name] + ["OK"] + desc_list
-
-
-def main():
-    cmd_input = docopt(cmd_str)
-    alert_file_name = cmd_input.get("--alerts") or pkg_resources.resource_filename('rd_filters',
-                                                                                   "data/alert_collection.csv")
-    rf = RDFilters(alert_file_name)
-
-    if cmd_input.get("template"):
-        template_output_file = cmd_input.get("--out")
-        default_rule_template(rf.get_alert_sets(), template_output_file)
-
-    elif cmd_input.get("filter"):
-        input_file_name = cmd_input.get("--in")
-        rules_file_name = cmd_input.get("--rules") or pkg_resources.resource_filename('rd_filters', "data/rules.json")
-        rules_file_path = get_config_file(rules_file_name, "FILTER_RULES_DATA")
-        prefix_name = cmd_input.get("--prefix")
-        num_cores = cmd_input.get("--np") or mp.cpu_count()
-        num_cores = int(num_cores)
-
-        print("using %d cores" % num_cores, file=sys.stderr)
-        start_time = time.time()
-        p = Pool(num_cores)
-        input_data = [x.split() for x in open(input_file_name)]
-        input_data = [x for x in input_data if len(x) == 2]
-        rule_dict = read_rules(rules_file_path)
-
-        rule_list = [x.replace("Rule_", "") for x in rule_dict.keys() if x.startswith("Rule") and rule_dict[x]]
-        rule_str = " and ".join(rule_list)
-        print(f"Using alerts from {rule_str}", file=sys.stderr)
-        rf.build_rule_list(rule_list)
-        res = list(p.map(rf.evaluate, input_data))
-        df = pd.DataFrame(res, columns=["SMILES", "NAME", "FILTER", "MW", "LogP", "HBD", "HBA", "TPSA", "Rot"])
-        df_ok = df[
-            (df.FILTER == "OK") &
-            df.MW.between(*rule_dict["MW"]) &
-            df.LogP.between(*rule_dict["LogP"]) &
-            df.HBD.between(*rule_dict["HBD"]) &
-            df.HBA.between(*rule_dict["HBA"]) &
-            df.TPSA.between(*rule_dict["TPSA"]) &
-            df.Rot.between(*rule_dict["Rot"])
-            ]
-        output_smiles_file = prefix_name + ".smi"
-        output_csv_file = prefix_name + ".csv"
-        df_ok[["SMILES", "NAME"]].to_csv(f"{output_smiles_file}", sep=" ", index=False, header=False)
-        print(f"Wrote SMILES for molecules passing filters to {output_smiles_file}", file=sys.stderr)
-        df.to_csv(f"{prefix_name}.csv", index=False)
-        print(f"Wrote detailed data to {output_csv_file}", file=sys.stderr)
-
-        num_input_rows = df.shape[0]
-        num_output_rows = df_ok.shape[0]
-        fraction_passed = "%.1f" % (num_output_rows / num_input_rows * 100.0)
-        print(f"{num_output_rows} of {num_input_rows} passed filters {fraction_passed}%", file=sys.stderr)
-        elapsed_time = "%.2f" % (time.time() - start_time)
-        print(f"Elapsed time {elapsed_time} seconds", file=sys.stderr)
+            yield "invalid"
+            return
+        for rule in self.rules:
+            value = _rule_fns[rule.property](mol)
+            if value < rule.min:
+                yield f"{rule.name}: {value}<{rule.min}"
+            if value > rule.min:
+                yield f"{rule.name}: {value}>{rule.max}"
+        for alert in self.alerts:
+            for match in mol.GetSubstructMatches(alert.smarts):
+                yield f"{alert.description}: '{match}'"
+
+
+app = typer.Typer()
+
+
+@app.command()
+def report(
+    data: Path = typer.Argument(dir_okay=False),
+    alerts: Path = typer.Option(_alerts_file, dir_okay=False),
+    rules: Path = typer.Option(_rules_file, dir_okay=False),
+    num_cores: int = typer.Option(1, min=1, max=mp.cpu_count()),
+):
+    rf = RDFilters(_read_alerts_file(alerts), _read_rules_file(rules))
+
+    def fn(task):
+        for v in rf.detect_all([task]):
+            print(v.msg)
+
+    inputs = _read_input_file(data)
+    Pool(num_cores).map(fn, inputs)
+
+
+@app.command(name="filter")
+def filter_ok(
+    data: Path = typer.Argument(dir_okay=False),
+    alerts: Path = typer.Option(_alerts_file, dir_okay=False),
+    rules: Path = typer.Option(_rules_file, dir_okay=False),
+    num_cores: int = typer.Option(1, min=1, max=mp.cpu_count()),
+):
+    rf = RDFilters(_read_alerts_file(alerts), _read_rules_file(rules))
+
+    def fn(task):
+        for v in rf.detect_all([task]):
+            if v.violation == "OK":
+                print(v.id)
+                break
+
+    inputs = _read_input_file(data)
+    Pool(num_cores).map(fn, inputs)
 
 
 if __name__ == "__main__":
-    main()
+    app()

From c7357fd54d52cac33ea259c84b0a3bf9d343bc30 Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Tue, 4 Jul 2023 10:25:38 -0700
Subject: [PATCH 02/14] revamp build and CI/CD

---
 .editorconfig                    |  23 +++++++
 .github/workflows/publish.yaml   |  52 ++++++++++++++++
 .github/workflows/pull-test.yaml |  29 +++++++++
 .github/workflows/push-main.yaml |  29 +++++++++
 .gitignore                       |  80 ++++++++++++++++++++++++
 .pre-commit-config.yaml          |  59 ++++++++++++++++++
 CHANGELOG.md                     |   0
 MANIFEST.in                      |   1 -
 pyproject.toml                   |  78 +++++++++++++++++++++++
 rd_filters.sh                    |   6 --
 setup.py                         |  15 -----
 HIV.smi => tests/data/HIV.smi    |   0
 tests/test_rdfilter.py           | 103 +++++++++++++++----------------
 tox.ini                          |  17 +++++
 14 files changed, 418 insertions(+), 74 deletions(-)
 create mode 100644 .editorconfig
 create mode 100644 .github/workflows/publish.yaml
 create mode 100644 .github/workflows/pull-test.yaml
 create mode 100644 .github/workflows/push-main.yaml
 create mode 100644 .gitignore
 create mode 100644 .pre-commit-config.yaml
 create mode 100644 CHANGELOG.md
 delete mode 100644 MANIFEST.in
 create mode 100644 pyproject.toml
 delete mode 100755 rd_filters.sh
 delete mode 100644 setup.py
 rename HIV.smi => tests/data/HIV.smi (100%)
 create mode 100644 tox.ini

diff --git a/.editorconfig b/.editorconfig
new file mode 100644
index 0000000..bffc04a
--- /dev/null
+++ b/.editorconfig
@@ -0,0 +1,23 @@
+# Check https://editorconfig.org for more information
+# These are derived from https://ukupat.github.io/tabs-or-spaces/
+# The most majority indentation style was selected for each language
+root = true
+
+# 2-space
+[*]
+end_of_line = lf
+charset = utf-8
+indent_style = space
+indent_size = 2
+trim_trailing_whitespace = true
+insert_final_newline = true
+
+# 4-space
+[*.py]
+indent_size = 4
+
+# CSV-like; no newlines or trimming whitespace
+[*.{tsv,tab,csv}]
+indent_style = tab
+trim_trailing_whitespace = false
+insert_final_newline = false
diff --git a/.github/workflows/publish.yaml b/.github/workflows/publish.yaml
new file mode 100644
index 0000000..07bb791
--- /dev/null
+++ b/.github/workflows/publish.yaml
@@ -0,0 +1,52 @@
+# Build, test, and publish to releases, packages, PyPi, etc.
+# Runs when creating a GitHub release
+name: publish
+on:
+  release:
+    types: [published]
+    branches: [main, master, "release/**", "releases/**"]
+jobs:
+  test:
+    strategy:
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-latest]
+        python-version: ["3.8", "3.9", "3.10", "3.11"]
+    name: "test on ${{ matrix.os }}/py${{ matrix.python-version }}"
+    runs-on: "${{ matrix.os }}"
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: "Set up Python ${{ matrix.python-version }}"
+        uses: actions/setup-python@v4
+        with:
+          python-version: "${{ matrix.python-version }}"
+      - name: Install Tox
+        run: pip install tox>=4,<5"
+      - name: Test with tox
+        run: |
+          tox -v
+  deploy:
+    runs-on: ubuntu-latest
+    needs: ["test"]
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: $MAX_PYTHON_VR
+      - name: Install build meta-dependencies
+        run: pip install $META_DEPS
+      - name: Build sdists and wheels with Poetry
+        run: |
+          poetry build
+          poetry install
+      - name: Attach artifacts to the GitHub release
+        uses: skx/github-action-publish-binaries@master
+        with:
+          args: dist/*
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+      - name: Publish to PyPi
+        run: |
+          poetry publish -vv --username __token__ --password ${{ secrets.PYPI_TOKEN }}
diff --git a/.github/workflows/pull-test.yaml b/.github/workflows/pull-test.yaml
new file mode 100644
index 0000000..9884e4c
--- /dev/null
+++ b/.github/workflows/pull-test.yaml
@@ -0,0 +1,29 @@
+# Runs tests via tox
+# Runs on pull requests to main
+name: pulltest
+on:
+  pull_request:
+    types: [ready_for_review, opened, reopened]
+    branches: [main, master, stable, "release/**", "releases/**"]
+    paths-ignore: ["**/*.md", "**/*.rst"]
+jobs:
+  test:
+    name: "Test ${{ github.ref_type }}:${{ github.ref_name }} on ${{ matrix.os }}/py${{ matrix.python-version }}"
+    strategy:
+      max-parallel: 1
+      matrix:
+        os: [ubuntu-latest, windows-latest", macos-latest]
+        python-version: ["3.11"]
+    runs-on: "${{ matrix.os }}"
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v4
+        with:
+          python-version: "${{ matrix.python-version }}"
+      - name: Install Tox
+        run: pip install tox>=4,<5"
+      - name: Test with tox
+        run: |
+          tox -v
diff --git a/.github/workflows/push-main.yaml b/.github/workflows/push-main.yaml
new file mode 100644
index 0000000..4d66a5b
--- /dev/null
+++ b/.github/workflows/push-main.yaml
@@ -0,0 +1,29 @@
+# Build, test, and run static analyses, and send reports to external services
+# Runs only on pushing to main
+name: maintest
+on:
+  push:
+    branches: [main, master]
+jobs:
+  test:
+    strategy:
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-latest]
+        python-version: ["3.8", "3.9", "3.10", "3.11"]
+    name: "test on ${{ matrix.os }}/py${{ matrix.python-version }}"
+    runs-on: "${{ matrix.os }}"
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+      - name: "Set up Python ${{ matrix.python-version }}"
+        uses: actions/setup-python@v4
+        with:
+          python-version: "${{ matrix.python-version }}"
+      - name: Install Tox
+        run: pip install "tox>=4,<5"
+      - name: Test with tox
+        run: |
+          tox -v
+      #- name: Submit to codecov
+      #  if: runner.os == 'Linux' && $USE_CODECOV
+      #  run: pip install "codecov>=$CODECOV_VR" && codecov
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 0000000..5b6b98b
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,80 @@
+# Also see https://github.com/github/gitignore/blob/master/Python.gitignore
+# This is simpler and easier to understand
+# We'll ignore all .* files and then re-add some
+
+# General hidden or unwanted
+.*
+~*
+*~
+*#
+Thumbs.db
+*.bak
+*.swp
+tmp/
+null
+
+# Log files and binary files
+*.log
+*.zip
+*.tar.gz
+*.tgz
+*.gz
+*.tar
+*.z7
+*.exe
+*.msi
+*.pkg
+*.dll
+*.so
+
+# Python temp and build files
+docs/html/
+__pycache__/
+__pypackages__/
+*.py[cod]
+*$py.class
+*.egg-info
+pip-wheel-metadata
+share/python-wheels/
+build/
+dist/
+eggs/
+sdist/
+docs/_build
+cython_debug/
+docs/autoapi
+
+# Hidden files that are definitely unwanted (redundant)
+.tox/
+.pytest_cache
+.ipynb_checkpoints
+
+# Files from other languages
+*.o
+hs_err_pid*
+*.class
+*.jl.cov
+*.jl.*.cov
+*.jl.mem
+deps/deps.jl
+
+# Keep these config files
+!/.gitignore
+!/.prettierignore
+!/.travis.yml
+!/.travis.yaml
+!/.circleci/config.yml
+!/.circleci/config.yaml
+!/.github
+!/.appveyor.yml
+!/.appveyor.yaml
+!/.flake8
+!/.readthedocs.yml
+!/.readthedocs.yaml
+!/.dockerignore
+!/.editorconfig
+!/.pre-commit-config.yml
+!/.pre-commit-config.yaml
+!.npmignore
+!/.scrutinizer.yml
+!/.scrutinizer.yaml
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
new file mode 100644
index 0000000..3ed0081
--- /dev/null
+++ b/.pre-commit-config.yaml
@@ -0,0 +1,59 @@
+# Check out https://pre-commit.com/ for documentation
+# :Tyranno: minimum_pre_commit_version: ${.test-deps.pre-commit}
+minimum_pre_commit_version: 3.3.3
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.4.0
+    hooks:
+      - id: check-case-conflict
+      - id: check-merge-conflict
+      - id: check-toml
+      - id: check-json
+      - id: check-shebang-scripts-are-executable
+      - id: check-symlinks
+      - id: check-yaml
+      - id: end-of-file-fixer
+      - id: fix-byte-order-marker
+        exclude: "^tests/(?:resources|data)/"
+      - id: fix-encoding-pragma
+        args: [--remove]
+      - id: trailing-whitespace
+
+  # --- Commit msg checks ---
+  - hooks:
+      - id: commitizen
+        stages: ["commit-msg"]
+    repo: https://github.com/commitizen-tools/commitizen
+    rev: v3.5.2
+
+  # --- Linters ---
+
+  - repo: https://github.com/asottile/pyupgrade
+    rev: v3.7.0
+    hooks:
+      - id: pyupgrade
+        args: [--py310-plus]
+
+  - repo: https://github.com/pycqa/isort
+    rev: 5.12.0
+    hooks:
+      - id: isort
+        args: [--profile, black]
+
+  - repo: https://github.com/psf/black
+    rev: 23.3.0
+    hooks:
+      - id: black
+
+  - repo: https://github.com/asottile/blacken-docs
+    rev: 1.14.0
+    hooks:
+      - id: blacken-docs
+
+  - repo: https://github.com/pre-commit/mirrors-prettier
+    rev: v2.7.1
+    hooks:
+      - id: prettier
+        stages: [commit]
+        args: [--print-width, "100"]
+        exclude: ^recipes/.*
diff --git a/CHANGELOG.md b/CHANGELOG.md
new file mode 100644
index 0000000..e69de29
diff --git a/MANIFEST.in b/MANIFEST.in
deleted file mode 100644
index 582ab76..0000000
--- a/MANIFEST.in
+++ /dev/null
@@ -1 +0,0 @@
-graft rd_filters
\ No newline at end of file
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 0000000..71aa129
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,78 @@
+[metadata]
+description-file = "README.md"
+
+[build-system]
+requires = ["poetry>=1.5,<2", "virtualenv>=20.0.33", "wheel>=0.37,<1.0"]
+build-backend = "poetry.masonry.api"
+
+[tool.poetry]
+name = "rd_filters"
+version = "0.2.0"
+description = "Apply structural alerts to chemical structures."
+maintainers = ["Pat Walters"]
+authors = ["Pat Walters"]
+license = "MIT"
+readme = "README.md"
+keywords = ["chemistry", "alerts", "chembl", "rdkit"]
+homepage = "https://github.com/PatWalters/rd_filters"
+repository = "https://github.com/PatWalters/rd_filters"
+documentation = "https://github.com/PatWalters/rd_filters"
+classifiers = [
+    "Development Status :: 3 - Alpha",
+    "Natural Language :: English",
+    "Programming Language :: Python :: 3 :: Only",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Intended Audience :: Developers",
+    "Intended Audience :: Science/Research",
+    "Operating System :: OS Independent",
+    "Topic :: Scientific/Engineering :: Chemistry"
+]
+
+[tool.poetry.urls]
+CI = "https://github.com/PatWalters/rd_filters/actions"
+Issues = "https://github.com/PatWalters/rd_filters/issues"
+Changelog = "https://github.com/PatWalters/rd_filters/blob/main/CHANGELOG.md"
+
+[tool.poetry.scripts]
+rd_filters = "rd_filters.rd_filters:cli"
+
+[tool.poetry.dependencies]
+python                        = "^3.11"
+tomlkit                       = ">=0.11, <1"
+typer                         = "^0.9"
+rdkit                         = ">=2022"
+
+[tool.poetry.group.test.dependencies]
+coverage                      = {version = "^7", extras = ["toml"]}
+pre-commit                    = "^3.3"
+pytest                        = "^7"
+pytest-cov                    = "^4"
+
+[tool.pytest.ini_options]
+log_cli = true
+log_cli_level = "INFO"
+log_cli_format = "%(asctime)s [%(levelname)8s] %(name)s: %(message)s (%(filename)s:%(lineno)s)"
+log_cli_date_format = "%Y-%m-%d %H:%M:%S"
+addopts = "--cov rd_filters --cov-report term-missing"
+
+[tool.coverage.run]
+source = "rd_filters"
+
+[tool.coverage.html]
+directory = ".coverage_report"
+
+[tool.coverage.paths]
+source = ["rd_filters"]
+
+[tool.coverage.report]
+show_missing = true
+
+[tool.black]
+line-length = 100
+
+[tool.isort]
+profile = "black"
+line_length = 100
diff --git a/rd_filters.sh b/rd_filters.sh
deleted file mode 100755
index b5356d0..0000000
--- a/rd_filters.sh
+++ /dev/null
@@ -1,6 +0,0 @@
-#!/usr/bin/bash
-
-# edit part of the line below to reflect where you git cloned rd_filters
-export FILTERS_RULES_DATA=~/src/rd_filters/rd_filters/data
-
-rd_filters "$@"
diff --git a/setup.py b/setup.py
deleted file mode 100644
index ea29f62..0000000
--- a/setup.py
+++ /dev/null
@@ -1,15 +0,0 @@
-from setuptools import setup, find_packages
-
-
-setup(
-    name="rd_filters",
-    version="0.1",
-    packages=find_packages(),
-    entry_points={
-        'console_scripts': [
-            'rd_filters=rd_filters.rd_filters:main',
-        ],
-    },
-    install_requires=['pandas', 'docopt'],
-    include_package_data=True,
-)
diff --git a/HIV.smi b/tests/data/HIV.smi
similarity index 100%
rename from HIV.smi
rename to tests/data/HIV.smi
diff --git a/tests/test_rdfilter.py b/tests/test_rdfilter.py
index b8b96c4..ab5ec45 100644
--- a/tests/test_rdfilter.py
+++ b/tests/test_rdfilter.py
@@ -1,64 +1,63 @@
-from rd_filters import rd_filters
 import pkg_resources
 
+from rd_filters import rd_filters
+
 # these just stop on the first filter
 test_lint = [
-    ('C1N=C1', 'aziridine-like N in 3-membered ring > 0'),
-    ('NN=N', 'acyclic N-,=N and not N bound to carbonyl or sulfone > 0'),
-    ]
+    ("C1N=C1", "aziridine-like N in 3-membered ring > 0"),
+    ("NN=N", "acyclic N-,=N and not N bound to carbonyl or sulfone > 0"),
+]
 
 test_inpharmatica = [
-    ('CN=C', 'OK'),
-    ('CN=CC', 'Filter39_imine > 0'),
-    ('CN=C(C)', 'Filter39_imine > 0'),
-    ('CN=NC', 'Filter5_azo > 0'),
-    ('CN=N', 'Filter5_azo > 0'),
-    ('N=N', 'Filter5_azo > 0'),
-    ('[Fe]C', 'Filter9_metal > 0'),
-    ('[FeH]', 'Filter9_metal > 0'),
-    ('[Fe]', 'OK'),
-    ('CN=O', 'Filter12_nitroso > 0'),
-    ('N=O', 'Filter12_nitroso > 0'),
-    ('S=P', 'Filter13_PS_double_bond > 0'),
-    ('S=PC', 'Filter13_PS_double_bond > 0'),
-    ('CC(=O)SC', 'Filter29_thioester > 0'),
-    ('CC(=S)SC', 'Filter29_thioester > 0'),
-    ('CC(=N)SC', 'Filter29_thioester > 0'),
-    ('CC(=O)S', 'Filter29_thioester > 0'),
-    ('CC(=S)S', 'Filter29_thioester > 0'),
-    ('CC(=N)S', 'Filter29_thioester > 0'),
-    ('CC(=O)CCBr', 'Filter26_alkyl_halide > 0'),
-    ('CC(=O)CCI', 'Filter26_alkyl_halide > 0'),
-    ('C(=O)CCI', 'Filter26_alkyl_halide > 0'),
-    ('NC(=O)CCI', 'Filter26_alkyl_halide > 0'),
-    ('CC=NOS(=O)N', 'Filter18_oxime_ester > 0'),
-    ('NC=NOP(=O)N', 'Filter89_hydroxylamine > 0'),
-    ('C=NOP(=O)N', 'Filter18_oxime_ester > 0'),
-    ('SO', 'Filter31_so_bond > 0'),
-    ('SOC', 'Filter31_so_bond > 0'),
-    ('c1csocc1', 'OK'),
-    ('OO', 'Filter32_oo_bond > 0'),
-    ('COO', 'Filter32_oo_bond > 0'),
-    ('c1coocc1', 'OK'),
-    ('CC(=O)C=C', 'Filter44_michael_acceptor2 > 0'),
-    ('C(=O)C=C', 'Filter38_aldehyde > 0'),
-    ('OC(=O)C=C', 'Filter44_michael_acceptor2 > 0'),
-    ('C1(=O)C=CC(=O)C=C1', 'Filter53_para_quinones > 0'),
-    ('CIC', 'Filter49_halogen > 0'),
-    ('CI(C)C', 'Filter49_halogen > 0'),
-    ('CC=NOS(=O)N', 'Filter18_oxime_ester > 0'),
-    ('NC=NO', 'Filter89_hydroxylamine > 0'),
-    ('C(=O)NOS', 'Filter31_so_bond > 0'),
+    ("CN=C", "OK"),
+    ("CN=CC", "Filter39_imine > 0"),
+    ("CN=C(C)", "Filter39_imine > 0"),
+    ("CN=NC", "Filter5_azo > 0"),
+    ("CN=N", "Filter5_azo > 0"),
+    ("N=N", "Filter5_azo > 0"),
+    ("[Fe]C", "Filter9_metal > 0"),
+    ("[FeH]", "Filter9_metal > 0"),
+    ("[Fe]", "OK"),
+    ("CN=O", "Filter12_nitroso > 0"),
+    ("N=O", "Filter12_nitroso > 0"),
+    ("S=P", "Filter13_PS_double_bond > 0"),
+    ("S=PC", "Filter13_PS_double_bond > 0"),
+    ("CC(=O)SC", "Filter29_thioester > 0"),
+    ("CC(=S)SC", "Filter29_thioester > 0"),
+    ("CC(=N)SC", "Filter29_thioester > 0"),
+    ("CC(=O)S", "Filter29_thioester > 0"),
+    ("CC(=S)S", "Filter29_thioester > 0"),
+    ("CC(=N)S", "Filter29_thioester > 0"),
+    ("CC(=O)CCBr", "Filter26_alkyl_halide > 0"),
+    ("CC(=O)CCI", "Filter26_alkyl_halide > 0"),
+    ("C(=O)CCI", "Filter26_alkyl_halide > 0"),
+    ("NC(=O)CCI", "Filter26_alkyl_halide > 0"),
+    ("CC=NOS(=O)N", "Filter18_oxime_ester > 0"),
+    ("NC=NOP(=O)N", "Filter89_hydroxylamine > 0"),
+    ("C=NOP(=O)N", "Filter18_oxime_ester > 0"),
+    ("SO", "Filter31_so_bond > 0"),
+    ("SOC", "Filter31_so_bond > 0"),
+    ("c1csocc1", "OK"),
+    ("OO", "Filter32_oo_bond > 0"),
+    ("COO", "Filter32_oo_bond > 0"),
+    ("c1coocc1", "OK"),
+    ("CC(=O)C=C", "Filter44_michael_acceptor2 > 0"),
+    ("C(=O)C=C", "Filter38_aldehyde > 0"),
+    ("OC(=O)C=C", "Filter44_michael_acceptor2 > 0"),
+    ("C1(=O)C=CC(=O)C=C1", "Filter53_para_quinones > 0"),
+    ("CIC", "Filter49_halogen > 0"),
+    ("CI(C)C", "Filter49_halogen > 0"),
+    ("CC=NOS(=O)N", "Filter18_oxime_ester > 0"),
+    ("NC=NO", "Filter89_hydroxylamine > 0"),
+    ("C(=O)NOS", "Filter31_so_bond > 0"),
 ]
-         
+
+
 def test_hydrogen_suppression():
-    alert_file_name = pkg_resources.resource_filename('rd_filters',
-                                                      "data/alert_collection.csv")
-    for rule_list, tests in [(["Inpharmatica"], test_inpharmatica),
-                             (["LINT"], test_lint)]:
+    alert_file_name = pkg_resources.resource_filename("rd_filters", "data/alerts.csv")
+    for rule_list, tests in [(["Inpharmatica"], test_inpharmatica), (["LINT"], test_lint)]:
         rf = rd_filters.RDFilters(alert_file_name)
         rf.build_rule_list(rule_list)
         for smi, res in tests:
-            result = rf.evaluate((smi,smi))
+            result = rf.evaluate((smi, smi))
             assert result[2] == res, repr((result[:3], res))
-
diff --git a/tox.ini b/tox.ini
new file mode 100644
index 0000000..a0a822f
--- /dev/null
+++ b/tox.ini
@@ -0,0 +1,17 @@
+[tox]
+minversion = 4.5
+isolated_build = True
+env_list = py3.11
+
+[testenv]
+whitelist_externals = poetry
+skip_dist = True
+skip_install = True
+# the - prefix means ignore nonzero exit codes
+commands_pre =
+    poetry install -v
+commands =
+    poetry run pre-commit run check-toml
+    poetry run pre-commit run check-yaml
+    poetry run pre-commit run check-json
+    poetry run pytest tests/

From a8ecd46e80217a3ce84eef53ec0dd0d9b9ac8cb2 Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Tue, 4 Jul 2023 10:28:53 -0700
Subject: [PATCH 03/14] add to changelog

---
 CHANGELOG.md | 18 ++++++++++++++++++
 1 file changed, 18 insertions(+)

diff --git a/CHANGELOG.md b/CHANGELOG.md
index e69de29..17e13fd 100644
--- a/CHANGELOG.md
+++ b/CHANGELOG.md
@@ -0,0 +1,18 @@
+# Changelog for rd_filters
+
+Refer to [Keep a Changelog](https://keepachangelog.com/en/1.1.0/) for formatting information.
+
+## 0.2.0 - unreleased
+
+### Changed
+
+- Redesigned CLI
+
+### Dropped
+
+- Past-EOL Python version support
+
+### Fixed
+
+- Build infrastructure and CI/CD
+- Removed pandas dependency

From ded86d267f92efc624e4756b1cd067ff1ec3964b Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Tue, 4 Jul 2023 11:08:16 -0700
Subject: [PATCH 04/14] simplify readme and tests

---
 README.md                | 181 ++++++++++-----------------------------
 rd_filters/rd_filters.py |  42 +++++++--
 tests/test_rdfilter.py   |  31 ++++---
 3 files changed, 99 insertions(+), 155 deletions(-)

diff --git a/README.md b/README.md
index 1c96654..515d8cf 100644
--- a/README.md
+++ b/README.md
@@ -1,40 +1,39 @@
 # rd_filters
 
-This script provides a simple means of applying the 
-functional group filters from the ChEMBL database, as well as a number of 
-property  filters from the RDKit, to a set 
-of compounds.  As of ChEMBL 23,  the database table **structural_alerts**
-contains 8 sets of alerts.  ChEMBL doesn't apper to have much in the way of 
-documentation on the different alert sets. 
-
-|Rule Set |Number of Alerts|
-|---|---:|
-|BMS|	180|
-|Dundee|	105|
-|Glaxo|	55|
-|Inpharmatica|	91|
-|LINT|	57|
-|MLSMR|	116|
-|[PAINS](https://pubs.acs.org/doi/abs/10.1021/jm901137j)|	479|
-|SureChEMBL|	166|
-
-The SMARTS patterns in a number of these alerts were not compatible with the RDKit
-so I edited them.  A complete list of the changes I made is in the file **Notes.txt**. 
+This script provides a simple means of applying the
+functional group alerts from the ChEMBL database and property alerts from the RDKit
+to a set of compounds. As of ChEMBL 23, the database table **structural_alerts**
+contains 8 sets of alerts. ChEMBL doesn't have much documentation on the different alert sets.
+
+| Rule Set                                                | Number of Alerts |
+| ------------------------------------------------------- | ---------------: |
+| BMS                                                     |              180 |
+| Dundee                                                  |              105 |
+| Glaxo                                                   |               55 |
+| Inpharmatica                                            |               91 |
+| LINT                                                    |               57 |
+| MLSMR                                                   |              116 |
+| [PAINS](https://pubs.acs.org/doi/abs/10.1021/jm901137j) |              479 |
+| SureChEMBL                                              |              166 |
+
+The SMARTS for some alerts are incompatible with RDKit,
+so I edited them. A complete list of the changes I made is in the file **Notes.txt**.
 
 ## Prerequisite
 
-* At least Python 3.6
-* The RDKit, you can find installation instructions [here](https://www.rdkit.org/docs/Install.html).  I'd recommend the conda route.
+- Python 3.7+
+- [rdkit](https://www.rdkit.org/docs/Install.html)
 
 ## Installation
 
-### Directly install from github
+Run `pip install rd-filters`
 
+Directly from GitHub:
 `pip install git+https://github.com/PatWalters/rd_filters.git`
 
-### Local install
+Install locally:
 
-``` shell
+```bash
 git clone https://github.com/PatWalters/rd_filters
 cd rd_filters
 pip install .
@@ -42,128 +41,36 @@ pip install .
 
 ## Usage
 
-The script needs 2 files to operate.
-
-* alert_collection.csv - the set of structural alerts
-* rules.json - the configuration file
-
-The script uses the following logic to find alert_collection.csv and rules.json.
-
-1. Use locations specified by the "--alert" (for alerts.csv) and "--rules" (for rules.json) command line arguments.
-2. Look in the current directory.
-3. Look in the directory pointed to by the FILTER_RULES_DATA environment variable.
-
-I'll provide some examples below to illustrate.  
-
-That's it, at this point you should be good to go. 
-
-### Configuration files
-
-The file **alert_collection.csv** contains alerts.  You shouldn't have to mess with this unless you
-want to add your own structural alerts. I think the format is pretty obvious.
-
-The file **rules.json** controls which filters and alerts are used.  You can use the command
-below to generate a **rules.json** with the default settings. 
-
-`rd_filters template --out rules.json`
-
-The **rules.json** file looks like this. The values for the properties are the maximum and minimum 
-allowed (inclusive).  To set which structural alerts are used, set **true** and **false**. You can 
-use multiple alert sets. 
-Just edit the file with your [favorite text editor](https://www.gnu.org/software/emacs/).
-
-```javascript
-{
-    "HBA": [
-        0,
-        10
-    ],
-    "HBD": [
-        0,
-        5
-    ],
-    "LogP": [
-        -5,
-        5
-    ],
-    "MW": [
-        0,
-        500
-    ],
-    "Rule_BMS": false,
-    "Rule_Dundee": false,
-    "Rule_Glaxo": false,
-    "Rule_Inpharmatica": true,
-    "Rule_LINT": false,
-    "Rule_MLSMR": false,
-    "Rule_PAINS": false,
-    "Rule_SureChEMBL": false,
-    "TPSA": [
-        0,
-        200
-    ]
-}
-```
-
-#### Examples
-
-First off, you're going to want to copy **alert_collection.csv** and 
-**rules.json** to a directory and set the FILTER_RULES_DATA environment
-variable to point to that directory.  If you are using a bash-ish shell
-and the files are in /home/elvis/data that would be:
-
-`export FILTER_RULES_DATA=/home/elvis/data`
-
-If you type
-
-`rd_filters -h`
+### Examples
 
-you'll see this:
+For command-line help, run:
 
-``` shell
-Usage:
-rd_filters filter --in INPUT_FILE --prefix PREFIX [--rules RULES_FILE_NAME] [--alerts ALERT_FILE_NAME][--np NUM_CORES]
-rd_filters template --out TEMPLATE_FILE [--rules RULES_FILE_NAME]
-
-Options:
---in INPUT_FILE input file name
---prefix PREFIX prefix for output file names
---rules RULES_FILE_NAME name of the rules JSON file
---alerts ALERTS_FILE_NAME name of the structural alerts file
---np NUM_CORES the number of cpu cores to use (default is all)
---out TEMPLATE_FILE parameter template file name
-"""
+```shell
+`rd-filter --help`
 ```
 
-The basic operation is pretty simple. If I want to filter a file called test.smi and 
-I want my output files to start with "out", I could do something like this:
-
-`rd_filters filter --in test.smi --prefix out`
+Usage is simple. To filter a file `test.smi` containing line-by-line SMILES:
 
-This will create 2 files
-* **out.smi** - contains the SMILES strings and molecule names for all of the compounds
-passing the filters
-* **out.csv** - contains calculated property values and a listing alerts triggered
-by a molecule
+```bash
+rd-filters filter test.smi > filtered.smi
+```
 
-By default, this script runs in parallel and uses all available processors.  To
-change this value, use the --np flag. 
+If I want to understand the violations that occurred:
 
-`rd_filters filter --in test.smi --prefix out --np 4`
+```bash
+rd-filters report test.smi > report.txt
+```
 
-As mentioned above, alternate rules files or alerts files can be specified on
-the command line.
+### Config files
 
-``` shell
-rd_filters filter --in test.smi --prefix out --rules myrules.json
-rd_filters filter --in test.smi --prefix out --alerts myalerts.csv
-rd_filters filter --in test.smi --prefix out --rules myrules.json --alerts myalerts.csv
-```
+2 config files are used. Both can be passed at the command-line.
 
-A new default rules template file can be generated using the **template** option.
+- `alerts.csv` - the set of structural alerts
+  You shouldn't have to mess with this unless you want to add your own structural alerts.
+- `rules.json` - the set of other violations.
 
-`rdfilters.py template --out myrules.json`
+## Contributing
 
-As always please let me know if you have questions, comments, etc. 
+As always please let me know if you have questions, comments, etc.
 
-Pat Walters, August 2018
+Copyright Pat Walters, August 2018
diff --git a/rd_filters/rd_filters.py b/rd_filters/rd_filters.py
index 2af2c95..f7b702b 100644
--- a/rd_filters/rd_filters.py
+++ b/rd_filters/rd_filters.py
@@ -140,12 +140,25 @@ def detect(self, smiles: str) -> Generator[str, None, None]:
 
 @app.command()
 def report(
-    data: Path = typer.Argument(dir_okay=False),
-    alerts: Path = typer.Option(_alerts_file, dir_okay=False),
-    rules: Path = typer.Option(_rules_file, dir_okay=False),
+    data: Path = typer.Argument(
+        dir_okay=False,
+        help="""
+        Can be .smi/.smiles/.txt containing SMILES,
+        a JSON file like [{"smiles": "O", "id": "oxygen"}],
+        'or a CSV file with columns "smiles" and "id".
+        """,
+    ),
+    alerts: Path = typer.Option(_alerts_file, dir_okay=False, help="Path to alerts.csv file"),
+    rules: Path = typer.Option(_rules_file, dir_okay=False, help="Path to rules.json file"),
+    exclude: str = typer.Option(
+        "", help="Comma-separated list of alert groups and rule properties to exclude"
+    ),
     num_cores: int = typer.Option(1, min=1, max=mp.cpu_count()),
 ):
-    rf = RDFilters(_read_alerts_file(alerts), _read_rules_file(rules))
+    exclude = {s.strip() for s in exclude.split(",")}
+    alerts = [a for a in _read_alerts_file(alerts) if a.name not in exclude]
+    rules = [r for r in _read_rules_file(rules) if r.property in exclude]
+    rf = RDFilters(alerts, rules)
 
     def fn(task):
         for v in rf.detect_all([task]):
@@ -157,12 +170,25 @@ def fn(task):
 
 @app.command(name="filter")
 def filter_ok(
-    data: Path = typer.Argument(dir_okay=False),
-    alerts: Path = typer.Option(_alerts_file, dir_okay=False),
-    rules: Path = typer.Option(_rules_file, dir_okay=False),
+    data: Path = typer.Argument(
+        dir_okay=False,
+        help="""
+        Can be .smi/.smiles/.txt containing SMILES,
+        a JSON file like [{"smiles": "O", "id": "oxygen"}],
+        'or a CSV file with columns "smiles" and "id".
+        """,
+    ),
+    alerts: Path = typer.Option(_alerts_file, dir_okay=False, help="Path to alerts.csv file"),
+    rules: Path = typer.Option(_rules_file, dir_okay=False, help="Path to rules.json file"),
+    exclude: str = typer.Option(
+        "", help="Comma-separated list of alert groups and rule properties to exclude"
+    ),
     num_cores: int = typer.Option(1, min=1, max=mp.cpu_count()),
 ):
-    rf = RDFilters(_read_alerts_file(alerts), _read_rules_file(rules))
+    exclude = {s.strip() for s in exclude.split(",")}
+    alerts = [a for a in _read_alerts_file(alerts) if a.name not in exclude]
+    rules = [r for r in _read_rules_file(rules) if r.property in exclude]
+    rf = RDFilters(alerts, rules)
 
     def fn(task):
         for v in rf.detect_all([task]):
diff --git a/tests/test_rdfilter.py b/tests/test_rdfilter.py
index ab5ec45..36b431f 100644
--- a/tests/test_rdfilter.py
+++ b/tests/test_rdfilter.py
@@ -1,14 +1,15 @@
 import pkg_resources
+import pytest
 
 from rd_filters import rd_filters
 
 # these just stop on the first filter
-test_lint = [
+_lint_data = [
     ("C1N=C1", "aziridine-like N in 3-membered ring > 0"),
     ("NN=N", "acyclic N-,=N and not N bound to carbonyl or sulfone > 0"),
 ]
 
-test_inpharmatica = [
+_inpharmatica_data = [
     ("CN=C", "OK"),
     ("CN=CC", "Filter39_imine > 0"),
     ("CN=C(C)", "Filter39_imine > 0"),
@@ -53,11 +54,21 @@
 ]
 
 
-def test_hydrogen_suppression():
-    alert_file_name = pkg_resources.resource_filename("rd_filters", "data/alerts.csv")
-    for rule_list, tests in [(["Inpharmatica"], test_inpharmatica), (["LINT"], test_lint)]:
-        rf = rd_filters.RDFilters(alert_file_name)
-        rf.build_rule_list(rule_list)
-        for smi, res in tests:
-            result = rf.evaluate((smi, smi))
-            assert result[2] == res, repr((result[:3], res))
+def test_lint():
+    alerts = rd_filters._read_alerts_file(rd_filters._alerts_file)
+    rf = rd_filters.RDFilters(alerts, [])
+    for input_, expected in _lint_data:
+        actual = list(rf.detect(input_))
+        assert actual == [expected]
+
+
+def test_inpharmatica():
+    alerts = rd_filters._read_alerts_file(rd_filters._alerts_file)
+    rf = rd_filters.RDFilters(alerts, [])
+    input_data = [rd_filters.Input(x, x) for x, y in _inpharmatica_data]
+    results = list(rf.detect_all(input_data))
+    assert [r.violation for r in results] == [x for x, _ in _inpharmatica_data]
+
+
+if __name__ == "__main__":
+    pytest.main()

From 754906c1157f086d68314f5ec33c8c90bf79cf5f Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:02:41 -0700
Subject: [PATCH 05/14] feat: pre-commit

---
 .pre-commit-config.yaml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 3ed0081..974d46f 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -1,5 +1,5 @@
 # Check out https://pre-commit.com/ for documentation
-# :Tyranno: minimum_pre_commit_version: ${.test-deps.pre-commit}
+# :tyranno: minimum_pre_commit_version: $project.optional-dependencies.test.pre-commit}
 minimum_pre_commit_version: 3.3.3
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks

From 9f084b47ccd946e33be2cc474df79db8e4b12eef Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:04:48 -0700
Subject: [PATCH 06/14] feat: continue code improvement

---
 rd_filters/data/descriptors.json | 210 +++++++++++++++++++++++++++++++
 rd_filters/data/rules.json       |  12 +-
 rd_filters/rd_filters.py         | 198 ++++++++++++++++++-----------
 3 files changed, 342 insertions(+), 78 deletions(-)
 create mode 100644 rd_filters/data/descriptors.json

diff --git a/rd_filters/data/descriptors.json b/rd_filters/data/descriptors.json
new file mode 100644
index 0000000..cf5347f
--- /dev/null
+++ b/rd_filters/data/descriptors.json
@@ -0,0 +1,210 @@
+[
+  "AvgIpc",
+  "BCUT2D_CHGHI",
+  "BCUT2D_CHGLO",
+  "BCUT2D_LOGPHI",
+  "BCUT2D_LOGPLOW",
+  "BCUT2D_MRHI",
+  "BCUT2D_MRLOW",
+  "BCUT2D_MWHI",
+  "BCUT2D_MWLOW",
+  "BalabanJ",
+  "BertzCT",
+  "Chi0",
+  "Chi0n",
+  "Chi0v",
+  "Chi1",
+  "Chi1n",
+  "Chi1v",
+  "Chi2n",
+  "Chi2v",
+  "Chi3n",
+  "Chi3v",
+  "Chi4n",
+  "Chi4v",
+  "EState_VSA1",
+  "EState_VSA10",
+  "EState_VSA11",
+  "EState_VSA2",
+  "EState_VSA3",
+  "EState_VSA4",
+  "EState_VSA5",
+  "EState_VSA6",
+  "EState_VSA7",
+  "EState_VSA8",
+  "EState_VSA9",
+  "ExactMolWt",
+  "FpDensityMorgan1",
+  "FpDensityMorgan2",
+  "FpDensityMorgan3",
+  "FractionCSP3",
+  "HallKierAlpha",
+  "HeavyAtomCount",
+  "HeavyAtomMolWt",
+  "Ipc",
+  "Kappa1",
+  "Kappa2",
+  "Kappa3",
+  "LabuteASA",
+  "MaxAbsEStateIndex",
+  "MaxAbsPartialCharge",
+  "MaxEStateIndex",
+  "MaxPartialCharge",
+  "MinAbsEStateIndex",
+  "MinAbsPartialCharge",
+  "MinEStateIndex",
+  "MinPartialCharge",
+  "MolLogP",
+  "MolMR",
+  "MolWt",
+  "NHOHCount",
+  "NOCount",
+  "NumAliphaticCarbocycles",
+  "NumAliphaticHeterocycles",
+  "NumAliphaticRings",
+  "NumAromaticCarbocycles",
+  "NumAromaticHeterocycles",
+  "NumAromaticRings",
+  "NumHAcceptors",
+  "NumHDonors",
+  "NumHeteroatoms",
+  "NumRadicalElectrons",
+  "NumRotatableBonds",
+  "NumSaturatedCarbocycles",
+  "NumSaturatedHeterocycles",
+  "NumSaturatedRings",
+  "NumValenceElectrons",
+  "PEOE_VSA1",
+  "PEOE_VSA10",
+  "PEOE_VSA11",
+  "PEOE_VSA12",
+  "PEOE_VSA13",
+  "PEOE_VSA14",
+  "PEOE_VSA2",
+  "PEOE_VSA3",
+  "PEOE_VSA4",
+  "PEOE_VSA5",
+  "PEOE_VSA6",
+  "PEOE_VSA7",
+  "PEOE_VSA8",
+  "PEOE_VSA9",
+  "RingCount",
+  "SMR_VSA1",
+  "SMR_VSA10",
+  "SMR_VSA2",
+  "SMR_VSA3",
+  "SMR_VSA4",
+  "SMR_VSA5",
+  "SMR_VSA6",
+  "SMR_VSA7",
+  "SMR_VSA8",
+  "SMR_VSA9",
+  "SlogP_VSA1",
+  "SlogP_VSA10",
+  "SlogP_VSA11",
+  "SlogP_VSA12",
+  "SlogP_VSA2",
+  "SlogP_VSA3",
+  "SlogP_VSA4",
+  "SlogP_VSA5",
+  "SlogP_VSA6",
+  "SlogP_VSA7",
+  "SlogP_VSA8",
+  "SlogP_VSA9",
+  "TPSA",
+  "VSA_EState1",
+  "VSA_EState10",
+  "VSA_EState2",
+  "VSA_EState3",
+  "VSA_EState4",
+  "VSA_EState5",
+  "VSA_EState6",
+  "VSA_EState7",
+  "VSA_EState8",
+  "VSA_EState9",
+  "fr_Al_COO",
+  "fr_Al_OH",
+  "fr_Al_OH_noTert",
+  "fr_ArN",
+  "fr_Ar_COO",
+  "fr_Ar_N",
+  "fr_Ar_NH",
+  "fr_Ar_OH",
+  "fr_COO",
+  "fr_COO2",
+  "fr_C_O",
+  "fr_C_O_noCOO",
+  "fr_C_S",
+  "fr_HOCCN",
+  "fr_Imine",
+  "fr_NH0",
+  "fr_NH1",
+  "fr_NH2",
+  "fr_N_O",
+  "fr_Ndealkylation1",
+  "fr_Ndealkylation2",
+  "fr_Nhpyrrole",
+  "fr_SH",
+  "fr_aldehyde",
+  "fr_alkyl_carbamate",
+  "fr_alkyl_halide",
+  "fr_allylic_oxid",
+  "fr_amide",
+  "fr_amidine",
+  "fr_aniline",
+  "fr_aryl_methyl",
+  "fr_azide",
+  "fr_azo",
+  "fr_barbitur",
+  "fr_benzene",
+  "fr_benzodiazepine",
+  "fr_bicyclic",
+  "fr_diazo",
+  "fr_dihydropyridine",
+  "fr_epoxide",
+  "fr_ester",
+  "fr_ether",
+  "fr_furan",
+  "fr_guanido",
+  "fr_halogen",
+  "fr_hdrzine",
+  "fr_hdrzone",
+  "fr_imidazole",
+  "fr_imide",
+  "fr_isothiocyan",
+  "fr_ketone",
+  "fr_ketone_Topliss",
+  "fr_lactam",
+  "fr_lactone",
+  "fr_methoxy",
+  "fr_morpholine",
+  "fr_nitrile",
+  "fr_nitro",
+  "fr_nitro_arom",
+  "fr_nitro_arom_nonortho",
+  "fr_nitroso",
+  "fr_oxazole",
+  "fr_oxime",
+  "fr_para_hydroxylation",
+  "fr_phenol",
+  "fr_phenol_noOrthoHbond",
+  "fr_phos_acid",
+  "fr_phos_ester",
+  "fr_piperdine",
+  "fr_piperzine",
+  "fr_priamide",
+  "fr_prisulfonamd",
+  "fr_pyridine",
+  "fr_quatN",
+  "fr_sulfide",
+  "fr_sulfonamd",
+  "fr_sulfone",
+  "fr_term_acetylene",
+  "fr_tetrazole",
+  "fr_thiazole",
+  "fr_thiocyan",
+  "fr_thiophene",
+  "fr_unbrch_alkane",
+  "fr_urea",
+  "qed"
+]
diff --git a/rd_filters/data/rules.json b/rd_filters/data/rules.json
index 60dacfb..fb32a9e 100644
--- a/rd_filters/data/rules.json
+++ b/rd_filters/data/rules.json
@@ -1,8 +1,8 @@
 [
-  { "property": "HBA", "min": 0, "max": 10 },
-  { "property": "HBD", "min": 0, "max": 5 },
-  { "property": "LogP", "min": -5, "max": 5 },
-  { "property": "MW", "min": 0, "max": 500 },
-  { "property": "Rot", "min": 0, "max": 10 },
-  { "property": "TSPA", "min": 0, "max": 200 }
+  { "property": "NumHAcceptors", "min": 0, "max": 10 },
+  { "property": "NumHDonors", "min": 0, "max": 5 },
+  { "property": "MolLogP", "min": -5, "max": 5 },
+  { "property": "MolWt", "min": 0, "max": 500 },
+  { "property": "NumRotatableBonds", "min": 0, "max": 10 },
+  { "property": "TPSA", "min": 0, "max": 200 }
 ]
diff --git a/rd_filters/rd_filters.py b/rd_filters/rd_filters.py
index f7b702b..5d9928b 100644
--- a/rd_filters/rd_filters.py
+++ b/rd_filters/rd_filters.py
@@ -3,29 +3,28 @@
 import json
 import logging
 import multiprocessing as mp
-from collections.abc import Generator, Iterable
+from collections.abc import Callable, Generator, Iterable
 from dataclasses import dataclass, field
 from multiprocessing import Pool
 from pathlib import Path
-from typing import Optional
+from typing import Any, Self
+
+try:
+    from typing import Annotated
+except ImportError:
+    from typing import Annotated
 
 import pkg_resources
 import typer
 from rdkit import Chem
-from rdkit.Chem.Descriptors import TPSA, MolLogP, MolWt, NumHAcceptors, NumHDonors
-from rdkit.Chem.rdMolDescriptors import CalcNumRotatableBonds
+from rdkit.Chem import Descriptors
+
+DEFAULT_ALERTS_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/alerts.csv"))
+DEFAULT_RULES_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/rules.json"))
 
 logger = logging.getLogger(__package__)
-_alerts_file = pkg_resources.resource_filename("rd_filters", "data/alerts.csv")
-_rules_file = pkg_resources.resource_filename("rd_filters", "data/rules.json")
-_rule_fns = {
-    "MW": MolWt,
-    "LogP": MolLogP,
-    "HBD": NumHDonors,
-    "HBA": NumHAcceptors,
-    "TPSA": TPSA,
-    "Rot": CalcNumRotatableBonds,
-}
+# noinspection PyUnresolvedReferences
+_rule_fns = dict(Descriptors.descList)
 
 
 def _read_file(path: Path) -> list[dict]:
@@ -38,7 +37,7 @@ def _read_file(path: Path) -> list[dict]:
             return json.load(f)
 
 
-@dataclass(frozen=True, repr=True, order=True)
+@dataclass(frozen=True, slots=False, order=True)
 class Alert:
     id: int
     group: str
@@ -47,7 +46,7 @@ class Alert:
     priority: int
 
     @functools.cached_property
-    def chem(self) -> str:
+    def mol(self) -> str:
         return Chem.MolFromSmarts(self.smarts)
 
     @property
@@ -55,28 +54,27 @@ def name(self) -> str:
         return f"{self.name}:{self.description.replace(' ', '-')}"
 
 
-@dataclass(frozen=True, repr=True, order=True)
+@dataclass(frozen=True, slots=True, order=True)
 class Rule:
     id: str | None
-    property: int
+    property: str
     min: float
     max: float
 
     @property
-    def name(self):
+    def name(self) -> str:
         if self.id is None:
             return self.property
-        else:
-            return self.id
+        return self.id
 
 
-@dataclass(frozen=True, repr=True, order=True)
+@dataclass(frozen=True, slots=True, order=True)
 class Input:
     smiles: str
     id: str
 
 
-@dataclass(frozen=True, repr=True, order=True)
+@dataclass(frozen=True, slots=True, order=True)
 class Violation:
     smiles: str
     id: str
@@ -87,42 +85,58 @@ def msg(self) -> str:
         return f"{self.id}: {self.violation}"
 
 
-def _read_input_file(path: Path) -> list[Input]:
+def read_input_file(path: Path) -> list[Input]:
     if path.suffix in {".txt", ".smi", ".smiles"}:
         lines = path.read_text(encoding="utf8").splitlines()
         return [Input(s, s) for s in lines]
     return [Input(**x) for x in _read_file(path)]
 
 
-def _read_alerts_file(path: Path) -> list[Alert]:
+def read_alerts_file(path: Path) -> list[Alert]:
     return [Alert(**x) for x in _read_file(path)]
 
 
-def _read_rules_file(path: Path) -> list[Rule]:
+def read_rules_file(path: Path) -> list[Rule]:
     return [Rule(**x) for x in _read_file(path)]
 
 
-@dataclass(frozen=True)
+@dataclass(frozen=True, slots=True)
 class RDFilters:
     alerts: list[Alert]
     rules: list[Rule]
 
+    @classmethod
+    def from_files(cls, *, alerts: Path, rules: Path, exclude: set[str] | None = None) -> Self:
+        if exclude is None:
+            exclude = set()
+        return cls(
+            alerts=[a for a in read_alerts_file(alerts) if a.name not in exclude],
+            rules=[r for r in read_rules_file(rules) if r.property in exclude],
+        )
+
     def __post_init__(self):
         for rule in self.rules:
             if rule.property not in _rule_fns:
                 raise KeyError(f"Property '{rule.property}' of rule '{rule.name} is unknown")
 
-    def detect_all(self, inputs: Iterable[Input]) -> Generator[Violation, None, None]:
+    def filter(self, inputs: Iterable[Input]) -> Generator[Input]:
+        for inp in inputs:
+            try:
+                next(iter(self.detect(inp.smiles)))
+            except StopIteration:
+                yield inp
+
+    def detect_all(self, inputs: Iterable[Input]) -> Generator[Violation]:
         for inp in inputs:
             for msg in self.detect(inp.smiles):
                 yield Violation(inp.smiles, inp.id, msg)
             else:
                 yield Violation(inp.smiles, inp.id, "OK")
 
-    def detect(self, smiles: str) -> Generator[str, None, None]:
+    def detect(self, smiles: str) -> Generator[str]:
         mol = Chem.MolFromSmiles(smiles)
         if mol is None:
-            yield "invalid"
+            yield "INVALID"
             return
         for rule in self.rules:
             value = _rule_fns[rule.property](mol)
@@ -131,72 +145,112 @@ def detect(self, smiles: str) -> Generator[str, None, None]:
             if value > rule.min:
                 yield f"{rule.name}: {value}>{rule.max}"
         for alert in self.alerts:
-            for match in mol.GetSubstructMatches(alert.smarts):
-                yield f"{alert.description}: '{match}'"
+            for _ in mol.GetSubstructMatches(alert.mol):
+                yield f"{alert.description}"
 
 
 app = typer.Typer()
 
 
+class Filter:
+    num_cores: int
+    out: Callable[[Violation], Any]
+    rf: RDFilters
+
+    def __call__(self, data: Path):
+        def fn(task):
+            for v in self.rf.detect_all([task]):
+                self.out(v)
+
+        inputs = read_input_file(data)
+        Pool(self.num_cores).map(fn, inputs)
+
+
 @app.command()
 def report(
-    data: Path = typer.Argument(
-        dir_okay=False,
-        help="""
-        Can be .smi/.smiles/.txt containing SMILES,
-        a JSON file like [{"smiles": "O", "id": "oxygen"}],
-        'or a CSV file with columns "smiles" and "id".
-        """,
-    ),
-    alerts: Path = typer.Option(_alerts_file, dir_okay=False, help="Path to alerts.csv file"),
-    rules: Path = typer.Option(_rules_file, dir_okay=False, help="Path to rules.json file"),
-    exclude: str = typer.Option(
-        "", help="Comma-separated list of alert groups and rule properties to exclude"
-    ),
-    num_cores: int = typer.Option(1, min=1, max=mp.cpu_count()),
+    data: Annotated[
+        Path,
+        typer.Argument(
+            dir_okay=False,
+            help="""
+            Can be .smi/.smiles/.txt containing SMILES,
+            a JSON file like [{"smiles": "O", "id": "oxygen"}],
+            'or a CSV file with columns "smiles" and "id".
+            """,
+        ),
+    ],
+    alerts: Annotated[
+        Path,
+        typer.Option(
+            DEFAULT_ALERTS_FILE, dir_okay=False, readable=True, help="Path to alerts.csv file"
+        ),
+    ],
+    rules: Annotated[
+        Path,
+        typer.Option(
+            DEFAULT_RULES_FILE, dir_okay=False, readable=True, help="Path to rules.json file"
+        ),
+    ],
+    exclude: Annotated[
+        str,
+        typer.Option(
+            "", help="Comma-separated list of alert groups and rule properties to exclude"
+        ),
+    ],
+    num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)],
 ):
     exclude = {s.strip() for s in exclude.split(",")}
-    alerts = [a for a in _read_alerts_file(alerts) if a.name not in exclude]
-    rules = [r for r in _read_rules_file(rules) if r.property in exclude]
-    rf = RDFilters(alerts, rules)
+    rf = RDFilters.from_files(alerts=alerts, rules=rules, exclude=exclude)
 
     def fn(task):
         for v in rf.detect_all([task]):
             print(v.msg)
 
-    inputs = _read_input_file(data)
+    inputs = read_input_file(data)
     Pool(num_cores).map(fn, inputs)
 
 
 @app.command(name="filter")
 def filter_ok(
-    data: Path = typer.Argument(
-        dir_okay=False,
-        help="""
-        Can be .smi/.smiles/.txt containing SMILES,
-        a JSON file like [{"smiles": "O", "id": "oxygen"}],
-        'or a CSV file with columns "smiles" and "id".
-        """,
-    ),
-    alerts: Path = typer.Option(_alerts_file, dir_okay=False, help="Path to alerts.csv file"),
-    rules: Path = typer.Option(_rules_file, dir_okay=False, help="Path to rules.json file"),
-    exclude: str = typer.Option(
-        "", help="Comma-separated list of alert groups and rule properties to exclude"
-    ),
-    num_cores: int = typer.Option(1, min=1, max=mp.cpu_count()),
+    data: Annotated[
+        Path,
+        typer.Argument(
+            dir_okay=False,
+            help="""
+            Can be .smi/.smiles/.txt containing SMILES,
+            a JSON file like [{"smiles": "O", "id": "oxygen"}],
+            'or a CSV file with columns "smiles" and "id".
+            """,
+        ),
+    ],
+    alerts: Annotated[
+        Path,
+        typer.Option(
+            DEFAULT_ALERTS_FILE, dir_okay=False, readable=True, help="Path to alerts.csv file"
+        ),
+    ],
+    rules: Annotated[
+        Path,
+        typer.Option(
+            DEFAULT_RULES_FILE, dir_okay=False, readable=True, help="Path to rules.json file"
+        ),
+    ],
+    exclude: Annotated[
+        str,
+        typer.Option(
+            "", help="Comma-separated list of alert groups and rule properties to exclude"
+        ),
+    ],
+    num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)],
 ):
     exclude = {s.strip() for s in exclude.split(",")}
-    alerts = [a for a in _read_alerts_file(alerts) if a.name not in exclude]
-    rules = [r for r in _read_rules_file(rules) if r.property in exclude]
-    rf = RDFilters(alerts, rules)
+    rf = RDFilters.from_files(alerts=alerts, rules=rules, exclude=exclude)
 
     def fn(task):
-        for v in rf.detect_all([task]):
-            if v.violation == "OK":
-                print(v.id)
-                break
+        for v in rf.filter([task]):
+            print(v.id)
 
-    inputs = _read_input_file(data)
+    inputs = read_input_file(data)
     Pool(num_cores).map(fn, inputs)
 
 

From 6618a977504b51fe84f084deba9fda92a53a992f Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:07:04 -0700
Subject: [PATCH 07/14] test: start to fix tests

---
 tests/data/HIV.smi     | 41913 ---------------------------------------
 tests/test_rdfilter.py |   122 +-
 2 files changed, 59 insertions(+), 41976 deletions(-)
 delete mode 100644 tests/data/HIV.smi

diff --git a/tests/data/HIV.smi b/tests/data/HIV.smi
deleted file mode 100644
index 3cbe603..0000000
--- a/tests/data/HIV.smi
+++ /dev/null
@@ -1,41913 +0,0 @@
-CCC1=[O+][Cu-3]2([O+]=C(CC)C1)[O+]=C(CC)CC(CC)=[O+]2 MOL0001
-C(=Cc1ccccc1)C1=[O+][Cu-3]2([O+]=C(C=Cc3ccccc3)CC(c3ccccc3)=[O+]2)[O+]=C(c2ccccc2)C1 MOL0002
-CC(=O)N1c2ccccc2Sc2c1ccc1ccccc21 MOL0003
-Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL0004
-O=S(=O)(O)CCS(=O)(=O)O MOL0005
-CCOP(=O)(Nc1cccc(Cl)c1)OCC MOL0006
-O=C(O)c1ccccc1O MOL0007
-CC1=C2C(=COC(C)C2C)C(O)=C(C(=O)O)C1=O MOL0008
-O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL0009
-O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-] MOL0010
-CC(C)(CCC(=O)O)CCC(=O)O MOL0011
-O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1 MOL0012
-O=C(O)c1ccccc1SSc1ccccc1C(=O)O MOL0013
-CCCCCCCCCCCC(=O)Nc1ccc(SSc2ccc(NC(=O)CCCCCCCCCCC)cc2)cc1 MOL0014
-Sc1cccc2c(S)cccc12 MOL0015
-CCOP(N)(=O)c1ccccc1 MOL0016
-NNP(=S)(NN)c1ccccc1 MOL0017
-O=P(Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1 MOL0018
-O=C1C(O)=C(CCCc2ccc(Oc3ccccc3)cc2)C(=O)c2ccccc21 MOL0019
-CC(C)N(C(C)C)P(=O)(OP(=O)(c1ccc([N+](=O)[O-])cc1)N(C(C)C)C(C)C)c1ccc([N+](=O)[O-])cc1 MOL0020
-c1ccc2c(c1)Sc1ccccc1S2 MOL0021
-CC(C)CCS(=O)(=O)O MOL0022
-Cc1ccccc1NC(=N)Nc1ccccc1C MOL0023
-CCCNP(=S)(NCCC)NCCC MOL0024
-CCCCCCCCCCCCNP(=S)(NCCCCCCCCCCCC)NCCCCCCCCCCCC MOL0025
-O=C1OC(=O)c2c1ccc1ccccc21 MOL0026
-S=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1 MOL0027
-Clc1ccnc2c1ccc1c(Cl)ccnc12 MOL0028
-O=C(OOC(=O)c1ccccc1)c1ccccc1 MOL0029
-c1ccc2nsnc2c1 MOL0030
-S=C1NCCS1 MOL0031
-CN(C)C1=[S+][Zn-2]2(S1)SC(N(C)C)=[S+]2 MOL0032
-CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 MOL0033
-[N-]=[N+]=CC(=O)OCC(N)C(=O)O MOL0034
-Nc1nc(O)c2nn[nH]c2n1 MOL0035
-CS(=O)(=O)OCCCCOS(C)(=O)=O MOL0036
-Nc1nc(S)c2nc[nH]c2n1 MOL0037
-Sc1ncnc2[nH]cnc12 MOL0038
-COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL0039
-CN(CCCl)CCCl MOL0040
-CS(C)=O MOL0041
-CCCCOB(OCCCC)OCCCC MOL0042
-CCCCCOB(OCCCCC)OCCCCC MOL0043
-CC1CC(C)(C)OB(OC(C)CC(C)(C)OB2OC(C)CC(C)(C)O2)O1 MOL0044
-c1ccn2nnnc2c1 MOL0045
-c1ccn2nncc2c1 MOL0046
-Clc1ccc(Cl)c(SSc2cc(Cl)ccc2Cl)c1 MOL0047
-CN(C)c1ccc(SSc2ccc(N(C)C)cc2)cc1 MOL0048
-Brc1ccc(SSc2ccc(Br)cc2)cc1 MOL0049
-Cc1ccc(SSc2ccc(C)cc2)cc1 MOL0050
-COc1ccc(SSc2ccc(OC)cc2)cc1 MOL0051
-NC1(C(=O)O)CCCC1 MOL0052
-CC(C)(Br)C(=O)C(Br)Br MOL0053
-CCOC(=S)SCCSC MOL0054
-CCOCC(C)(CO)CC(C)CO MOL0055
-O=C(O)C1CC1 MOL0056
-O=C(O)C1(O)CC(O)C(O)C(O)C1 MOL0057
-Nc1c(Cl)cc(Cl)cc1C(=O)O MOL0058
-CCCCCOC(=S)S MOL0059
-O=C(O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O MOL0060
-NC(=O)c1cc(O)c(O)c(O)c1 MOL0061
-C1C[S+]2CC[S+]1CC2 MOL0062
-Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl MOL0063
-CC12CCC(C(Br)C1=O)C2(C)CS(=O)(=O)O MOL0064
-CCC(C)(C(=O)O)C(=O)O MOL0065
-CC(C)C(C(=O)O)C(=O)O MOL0066
-CCOC(=O)C(=O)C1CCCCC1=O MOL0067
-CCOC(=O)CNS(=O)(=O)c1ccccc1 MOL0068
-CCN(CC)C(C)(O)CN MOL0069
-Cc1cccc2c(=O)c3ccccc3oc12 MOL0070
-CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCO MOL0071
-C1CN[Co-4]23(N1)(NCCN2)NCCN3 MOL0072
-CC(C)OC(=S)SSC(=S)OC(C)C MOL0073
-O=C(Nc1ccccc1)OCC1OCOC(COC(=O)Nc2ccccc2)C1OC(=O)Nc1ccccc1 MOL0074
-OCC1OCOC2COCOC12 MOL0075
-CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(CO2)C(OC(C)=O)C1OC(C)=O MOL0076
-CCN(CC)C(=O)N1CCN(C)CC1 MOL0077
-CC(=O)OC1COC(c2ccccc2)OC1C1OC(c2ccccc2)OCC1OC(C)=O MOL0078
-Oc1ncnc2[nH]ncc12 MOL0079
-O=C1O[Cu-5]2(O)(O)(OC1=O)OC(=O)C(=O)O2 MOL0080
-O=Nc1ccc(O)c(N=O)c1O MOL0081
-Oc1ccc(Nc2ccccc2)cc1 MOL0082
-CCCCCCc1ccc(O)cc1O MOL0083
-CCCCCCCC[N+]12CN3CN(CN(C3)C1)C2 MOL0084
-CC(C)(O)O.CC1(O)C(O)C(O)C1(O)CO MOL0085
-OC1COCOC1C(O)C1OCOCC1O MOL0086
-CN(C)C(=S)SSC(=S)N(C)C MOL0087
-O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL0088
-CCc1cc[n+]([Mn](SC#N)(SC#N)([n+]2ccc(CC)cc2)([n+]2ccc(CC)cc2)[n+]2ccc(CC)cc2)cc1 MOL0089
-N=c1[nH][nH]c(=N)[nH]1 MOL0090
-O=S(=O)(O)CCO MOL0091
-O=C1CSC(=S)N1 MOL0092
-C1CCNCC1.S=C(S)N1CCCCC1 MOL0093
-C1SCSCS1 MOL0094
-CCC(CC)(C(=O)O)C(=O)O MOL0095
-N#CC(=Cc1ccccc1)c1ccccc1 MOL0096
-N#CNC(=N)N MOL0097
-O=C1C(O)=C(CCCC2CCC3CCCCC3C2)C(=O)c2ccccc21 MOL0098
-O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O MOL0099
-O=C(O)c1ccccc1S MOL0100
-CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)C(=O)OCC MOL0101
-C=C(C)CS(=O)(=O)O MOL0102
-CCSc1ccc(N=[N+]([O-])c2ccc(SCC)c(Cl)c2)cc1Cl MOL0103
-COC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C MOL0104
-O=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1 MOL0105
-CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC MOL0106
-O=S(=O)(O)CO MOL0107
-CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12 MOL0108
-CCCC(O)CNCc1ccc(N(C)C)cc1 MOL0109
-N=C1NC(=O)C(c2ccccc2)S1 MOL0110
-Cc1cc(SCC(=O)c2ccccc2[N+](=O)[O-])cc(C)[o+]1 MOL0111
-CC12CCC(CC1)C(C)(C)NC(=N)S2 MOL0112
-CCSC(SCC)C(O)C(O)C(O)C(O)C(O)C(O)CO MOL0113
-O=C(O)C(O)C(O)C(O)C(O)C(O)C(O)CO MOL0114
-Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 MOL0115
-ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N1 MOL0116
-CCN(CC)CC.O=C(Nc1ccc(Cl)cc1)P(=O)(O)c1ccccc1 MOL0117
-O=S(=O)(O)CCCCBr MOL0118
-c1ccc(SSc2ccccc2)cc1 MOL0119
-O=S(=O)(O)CC(S(=O)(=O)O)S(=O)(=O)O MOL0120
-O=S1(=O)CCCc2c1ccc1ccccc21 MOL0121
-CCOC(=O)C(CCCCS(=O)(=O)O)C(=O)OCC MOL0122
-O=S1(=O)CCc2ccccc2C(Br)C1 MOL0123
-CCCCCCCCS(=O)(=O)O MOL0124
-CCOCCCCS(=O)(=O)O MOL0125
-CCOC(C)CCCS(=O)(=O)O MOL0126
-O=S(=O)(O)CCCCCO MOL0127
-O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O MOL0128
-CC(=O)N1C(=O)C(=O)c2ccccc21 MOL0129
-O=C1NC2NC(=O)NC2N1 MOL0130
-O=C1c2ccccc2C(=O)N1Cc1ccccc1 MOL0131
-CN(C)c1ccc(N=O)cc1 MOL0132
-O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1 MOL0133
-ClC(Cl)(Cl)C1OCOC(C(Cl)(Cl)Cl)OCO1 MOL0134
-O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O MOL0135
-O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1O MOL0136
-N=C1NC(=O)CS1 MOL0137
-O=C1O[Al]23(OC1=O)(OC(=O)C(=O)O2)OC(=O)C(=O)O3 MOL0138
-O=C1C[N+]23CC[N+]45CC(=O)O[Ni-4]24(O1)(OC(=O)C3)OC(=O)C5 MOL0139
-CC(=O)c1cc2c(cc1C(C)C)CCC1C(C)(C#N)CCCC21C MOL0140
-COC(=O)C1(C)CCCC2(C)c3cc(Br)c(C(C)C)cc3CCC12 MOL0141
-COC(=O)C1(C)CCCC2(C)c3ccccc3C(OO)CC12 MOL0142
-COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12 MOL0143
-C=C(C)c1ccc2c(c1)C(=O)CC1C(C)(C#N)CCCC21C MOL0144
-CC(C)c1ccc2c(c1)CCC1C2(C)CCCC1(C)C(O)c1ccccc1 MOL0145
-CC(=O)OC(C)(C)c1ccc2c(c1)C(=O)CC1C(C)(C#N)CCCC21C MOL0146
-CC(O)c1ccc2c(c1)C(O)CC1C(C)(CO)CCCC21C MOL0147
-CC(C)C1(Cl)CCC2C3(C)CCCC(C)(C(=O)O)C3CC(Cl)C2(Cl)C1Cl MOL0148
-COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3C(=O)C(Br)C12 MOL0149
-CNC=O MOL0150
-Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O MOL0151
-COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1 MOL0152
-O=[As]O MOL0153
-CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 MOL0154
-CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 MOL0155
-O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl MOL0156
-CC1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(Cl)c1 MOL0157
-CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)O MOL0158
-O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1 MOL0159
-CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 MOL0160
-CC[N+](C)(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 MOL0161
-CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 MOL0162
-Nc1cc([As]=[As]c2ccc(O)c(N)c2)ccc1O MOL0163
-Oc1nc(O)c2nnoc2n1 MOL0164
-N=C1NCCS1 MOL0165
-O=Nc1ccc(O)cc1 MOL0166
-NNC(=O)C(CC(C(=O)NN)C(=O)NN)C(=O)NN MOL0167
-O=C(O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O MOL0168
-NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1 MOL0169
-C[N+]1=Cc2ccccc2O[Cu-3]12Oc1ccccc1C=[N+]2C MOL0170
-O=S1OCCO1 MOL0171
-CCCCS(=O)(=O)O MOL0172
-COc1ccc2c(ccc(=O)n2C)c1 MOL0173
-CC(CN1CCCCC1)SSC(C)CN1CCCCC1 MOL0174
-Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1 MOL0175
-O=C1N(CO)C2C(N1CO)N(CO)C(=O)N2CO MOL0176
-CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)=O)CCC4C34C=CC2(C1)C1C(=O)OC(=O)C14 MOL0177
-CNC(=O)C(C)C1C(=O)C(=C(O)C=CC(C)=CC(C)C2OC3(C)OC(C=CC34CO4)C2C)C(=O)N1C1CCC(O)C(C)O1 MOL0178
-CCCCCC(O)C1C(=O)OC(C)C(O)C=CC=CC=CC=CC=C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC1O MOL0179
-CCC(C(=O)O)c1ccc([N+](=O)[O-])cc1.COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC43 MOL0180
-CCC(C)OC(=O)c1ccccc1C(=O)O.COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5C4C3 MOL0181
-O=c1ssc(=Nc2ccccc2)n1-c1ccccc1 MOL0182
-CCCN=c1ssc(=O)n1CCC MOL0183
-CCCCN=c1ssc(=O)n1CCCC MOL0184
-O=c1ssc(=Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 MOL0185
-CCCCCCCN=c1ssc(=O)n1CCCCCCC MOL0186
-NS(=O)(=O)c1cc(O)nc(O)n1 MOL0187
-CS(=O)(=O)c1cc(O)nc(O)n1 MOL0188
-CCS(=O)(=O)c1cc(O)nc(O)n1 MOL0189
-O=S(=O)(Cc1ccccc1)c1cc(O)nc(O)n1 MOL0190
-Cc1oc(C)c2c1C(=O)c1ccccc1C2=O MOL0191
-Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2C=O MOL0192
-CCOC(=O)Nc1ccc(C(=O)C=Cc2ccc(N(CC)CC)cc2)cc1 MOL0193
-CC1NC(C)SC(C)S1 MOL0194
-N#CNC(=N)NC(=O)C=CC=Cc1ccc(Cl)cc1 MOL0195
-O=C(O)C=CC(=O)NNC(=O)C=CC(=O)O MOL0196
-CC1C(=O)N2C(=O)C(C)C(C)C(=O)N2C(=O)C1C MOL0197
-O=C(O)CCC(=O)NNC(=O)CCC(=O)O MOL0198
-Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O MOL0199
-CCC(CS(=O)(=O)O)[N+](=O)[O-] MOL0200
-Oc1nnc(O)c2ncccc12 MOL0201
-Clc1nc(Cl)nc(Nc2ccccc2Cl)n1 MOL0202
-O=Nc1ccc(O)c2ncccc12 MOL0203
-Oc1ccc(Cl)cc1C(c1cc(Cl)ccc1O)C(Cl)(Cl)Cl MOL0204
-CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO MOL0205
-c1ccc2c(c1)SC1=[S+][Cu-3]3([S+]=C4Sc5ccccc5N43)N12 MOL0206
-Oc1c(Cl)cc(Cl)c2cccnc12 MOL0207
-CC(=O)Nc1c2sscc-2n(C)c1=O MOL0208
-[O-][N+]1=Cc2ccc[o+]2[Cu-3]12[N+]([O-])=Cc1ccc[o+]12 MOL0209
-O=C1O[Cu-3]2(Nc3ccccc31)Nc1ccccc1C(=O)O2 MOL0210
-O=C(Oc1cccc2cccnc12)c1ccccc1 MOL0211
-CCN(CC)C(=S)S[Se](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC MOL0212
-C1COCCN1.S=C(S)N1CCOCC1 MOL0213
-CC1=NNC(=O)C1 MOL0214
-O=c1ccc2cc(Cl)ccc2o1 MOL0215
-CN(C)c1ccc(C=Cc2ccnc3ccccc23)cc1 MOL0216
-CN(C)c1ccc(C=Cc2ccc3ccccc3[n+]2C)cc1 MOL0217
-CN(C)c1ccc(C=Cc2cc[n+](C)c3ccccc23)cc1 MOL0218
-c1cnc2c(c1)ccc1cccnc12 MOL0219
-Cc1ccc2ccc3ccc(C)nc3c2n1 MOL0220
-O=S(=O)(O)c1ccc2c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1 MOL0221
-O=C1OC(=O)C2C1C(c1ccccc1)N1C3C(=O)OC(=O)C3C(c3ccccc3)N21 MOL0222
-CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2S(=O)(=O)O)cc1 MOL0223
-COc1ccc(C=CC(=O)O)cc1OC MOL0224
-Cc1ccc(S(=O)(=O)Nc2cccc3c(O)ncnc23)cc1 MOL0225
-CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O MOL0226
-c1ccc(C2=NC3(CCCCC3)N=C2c2ccccc2)cc1 MOL0227
-CSc1nc(N)nc(N)n1 MOL0228
-Nc1nc(N)nc(-c2ccccc2-c2nc(N)nc(N)n2)n1 MOL0229
-C1CN2CN1CN1CCN(C1)C2 MOL0230
-N=C(N)Nc1nnn[nH]1 MOL0231
-O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl MOL0232
-O=C1N(Cl)C2(c3ccccc3)N(Cl)C(=O)N(Cl)C2(c2ccccc2)N1Cl MOL0233
-Nc1nc(N)nc(SCCOCCSc2nc(N)nc(N)n2)n1 MOL0234
-NNC(=O)c1ccccc1SSc1ccccc1C(=O)NN MOL0235
-O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1SSc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl MOL0236
-CCCC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CCCC(=O)CC(O)C(CC)C(=O)O1.O=S(=O)(O)O MOL0237
-O=c1c2ccccc2oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c12 MOL0238
-CC12CCC(C(=O)OC1=O)C2(C)C MOL0239
-C[Si](C)(CCC(=O)O)O[Si](C)(C)CCC(=O)O MOL0240
-O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1 MOL0241
-COc1ccc(C2c3cc(OC)c(OC)cc3CC3C(=O)OCC32)cc1OC MOL0242
-O=S(=O)(O)C(Br)(Br)Br MOL0243
-O=C(O)c1ccc(S(=O)(=O)O)o1 MOL0244
-S=c1[nH][nH]c(=S)s1 MOL0245
-OCC(S)CS MOL0246
-O=C(O)C(O)(O)C(O)(O)C(=O)O MOL0247
-CC1=[O+][V-]2(=O)([O+]=C(C)C1)[O+]=C(C)CC(C)=[O+]2 MOL0248
-CC1=[O+][Zr]234([O+]=C(C)C1)([O+]=C(C)CC(C)=[O+]2)([O+]=C(C)CC(C)=[O+]3)[O+]=C(C)CC(C)=[O+]4 MOL0249
-CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21 MOL0250
-N=c1[nH]ncs1 MOL0251
-CN1CSC(=S)N(C)C1 MOL0252
-CCCCC(CC)COS(=O)(=O)O MOL0253
-O=C1CSC(=O)N1c1ccccc1 MOL0254
-O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)O)cc1 MOL0255
-Oc1ccc(O)c([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL0256
-CN(C)C(=S)SC(=S)N(C)C MOL0257
-O=Nc1ccc(N=O)cc1 MOL0258
-O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12 MOL0259
-S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1 MOL0260
-CC(C)S(=O)(=O)O MOL0261
-CCN(CC)C(=S)S MOL0262
-O=C1NS(=O)(=O)c2ccccc21 MOL0263
-O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 MOL0264
-OCC1OC(n2cnc3c(Cl)ncnc32)C(O)C1O MOL0265
-Oc1ncc(S)c(O)n1 MOL0266
-Cc1nc(N)c2cnn(C)c2n1 MOL0267
-Cc1n[nH]c2c(N(C)C)ncnc12 MOL0268
-Cc1cc(O)cc(C)c1Cl MOL0269
-CC(C)=C1C=C2CCC3C(C)(C(=O)O)CCCC3(C)C2CC1 MOL0270
-CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1.O=S(=O)(O)O MOL0271
-Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N MOL0272
-O=Nc1ccc2ccccc2c1O MOL0273
-c1ccc(N2N=C3N(c4ccccc4)C2N3c2ccccc2)cc1 MOL0274
-CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1 MOL0275
-Cc1ccc2nc(-c3ccc(N=NNc4ccc(-c5nc6ccc(C)c(S(=O)(=O)O)c6s5)cc4)cc3)sc2c1S(=O)(=O)O MOL0276
-O=C(N=Nc1ccccc1)NNc1ccccc1.O=C(NNc1ccccc1)NNc1ccccc1 MOL0277
-Cc1cc(O)cc(O)c1N=Nc1ccc([N+](=O)[O-])cc1 MOL0278
-Nc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(N)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc12 MOL0279
-Nc1ccc2ccccc2c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(N)ccc4ccccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL0280
-O=C(O)CC1OCC=C2CN3CCC45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6NC4C1C2CC35 MOL0281
-O=[N+]([O-])c1ccc([As](=O)(O)O)cc1 MOL0282
-CC(C)c1cccc(C(C)C)c1O MOL0283
-CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O MOL0284
-O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12 MOL0285
-Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 MOL0286
-Oc1ccc(O)c([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL0287
-C1CN2CCOB(O1)OCC2 MOL0288
-CCO[Si](C)(OCC)OCC MOL0289
-CCCCOC(=S)SSC(=S)OCCCC MOL0290
-O=c1c2ccccc2c2ccc3c4ccc5c(=O)c6ccccc6c6ccc(c7ccc1c2c73)c4c56 MOL0291
-CC[Sn](Cl)(CC)CC MOL0292
-Cc1cc(=O)oc2cc(O)cc(O)c12 MOL0293
-COC(=O)c1ccccc1SSc1ccccc1C(=O)OC MOL0294
-O=C(O)c1ccccc1SSc1ccccc1C(=O)O MOL0295
-COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C MOL0296
-O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3c(O)cc(S(=O)(=O)O)cc23)cc1S(=O)(=O)O MOL0297
-CCCC(C)SP(=S)(SC(C)CCC)SC(C)CCC MOL0298
-CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc12.O=P(O)(O)O MOL0299
-CCCCCCCCCCCCCCCCCCN(C)C MOL0300
-CC1OC(OC2C(COc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OOC(CO)C2O)C(O)C(O)C1O MOL0301
-O=Nc1ccc(O)cc1O MOL0302
-CCCCCCOP(OCCCCCC)OCCCCCC MOL0303
-CC(=NN=C(C)C1CC(CC(=O)O)C1(C)C)C1CC(CC(=O)O)C1(C)C MOL0304
-CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1 MOL0305
-CCCCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O MOL0306
-Nc1ccc2c(c1)N[Cu-3]1(Nc3cc(N)ccc3O1)O2 MOL0307
-C1CCc2nnnn2CC1 MOL0308
-O=C1NS(=O)(=O)c2ccccc21 MOL0309
-CC1=[O+][Cu-3]2([O+]=C(C)CC(Nc3ccccc3)=[O+]2)[O+]=C(Nc2ccccc2)C1 MOL0310
-O=[N+]([O-])c1ccc(S(=O)(=O)NN2CCOCC2)cc1 MOL0311
-O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccco2)cc1 MOL0312
-O=[N+]([O-])c1ccc(S(=O)(=O)NN=C2CCCCC2)cc1 MOL0313
-CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2ccco2)cc1 MOL0314
-CC(C=Cc1ccccc1)=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL0315
-CC1CCCN1c1ccnc2cc(Cl)ccc12 MOL0316
-CN(C)C(=O)N1CC[N+](C)([O-])CC1 MOL0317
-Cc1ccc2oc(=O)ccc2c1 MOL0318
-COc1cc(C)cc2c1OC(c1ccccc1)CC2=O MOL0319
-CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C MOL0320
-CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(C(C)=O)C(=O)C12C MOL0321
-C=C1C(=O)OC(CCCCCCCCCCCCC)C1C(=O)O MOL0322
-CC(CCC(C)C(=O)O)C(=O)O MOL0323
-O=C(Nc1ccccc1)Nc1ccccn1 MOL0324
-CC1CCCC2(C1)OCC(O)CO2 MOL0325
-O=c1c2cc3c(=O)n(O)c(=O)c3cc2c(=O)n1O MOL0326
-Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 MOL0327
-CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 MOL0328
-CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC MOL0329
-O=C(O)C1C2OC3C(OC(=O)C31)C2Br MOL0330
-Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O MOL0331
-CC1=CC(=C(c2cc(C)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C(Br)C1=O MOL0332
-O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1 MOL0333
-O=C(O)c1cc(I)cc(I)c1O MOL0334
-NC(CO)(CO)CO MOL0335
-C=CCc1cc(-c2cc(CC=C)c(O)c(CN(CC)CC)c2)cc(CN(CC)CC)c1O MOL0336
-S=P(N1CC1)(N1CC1)N1CC1 MOL0337
-CC(CCN1CCN(CCC(C)CC(C)(C)C)S1(=O)=O)CC(C)(C)C MOL0338
-O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1 MOL0339
-CCCSP(SCCC)SCCC MOL0340
-CCCCOP(=S)(OCCCC)OCCCC MOL0341
-COP(=O)(OC)OC=C(Cl)Cl MOL0342
-CC(O)=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL0343
-CC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL0344
-OC(=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 MOL0345
-O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 MOL0346
-O=C1CSC(=O)N1 MOL0347
-S=C1SCCS1 MOL0348
-OCC1(CO)CCCC(CO)(CO)C1O MOL0349
-CCCCCCC(=O)C(O)C(O)C(=O)CCCCCCCC(=O)O MOL0350
-Nc1cc(Cl)ccc1S MOL0351
-O=C1c2ccccc2C(=O)c2c1ccc(O)c2O MOL0352
-CCOc1ccc(N=Nc2ccc(N)cc2N)cc1 MOL0353
-O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1 MOL0354
-Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O MOL0355
-O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 MOL0356
-O=S(=O)(O)c1cc2ccc1ccc1ccc(cc1S(=O)(=O)O)nnc1ccc(ccc3ccc(cc3S(=O)(=O)O)nn2)c(S(=O)(=O)O)c1 MOL0357
-Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12 MOL0358
-N=C(N)N.O=S(=O)(O)O MOL0359
-CC[N+]12CN3CN(CN(C3)C1)C2 MOL0360
-O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O MOL0361
-O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O MOL0362
-O=C1C[N+]23CC[N+]45CC(=O)O[Cu-5]24(O1)(OC(=O)C3)OC(=O)C5 MOL0363
-OCCCN(CCO)CCN(CCCO)CCCO MOL0364
-Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 MOL0365
-O=S(c1ccccc1O)S(=O)c1ccccc1O MOL0366
-COc1c2c(cc3c1OCO3)C13C=CC(OC)CC1N(CC3)C2.[O-][Cl+3]([O-])([O-])O MOL0367
-CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C MOL0368
-CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(O)C1O MOL0369
-COC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O MOL0370
-CC1OC(OC2C=C3CCC4C(CCC5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O MOL0371
-CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)CC)CCC3(C)C5C(OC(C)=O)C(OC(C)=O)C4C21O MOL0372
-Cc1cc(O)n2cnnc2n1 MOL0373
-Nc1c2ccccc2nc2ccccc12 MOL0374
-O=C1C2=C(C(=O)c3ccccc31)C(O)(S(=O)(=O)O)C(O)(S(=O)(=O)O)C1N=CC=CC21 MOL0375
-CC(=O)C1C(=O)OC2C3C=CC(C3)C2C1=O MOL0376
-CC(C)(O)S(=O)(=O)O MOL0377
-CC(=O)Nc1ccccc1 MOL0378
-[O-][N+]1=c2c([nH]c3ccccc23)=[O+][Cu-3]12[O+]=c1[nH]c3ccccc3c1=[N+]2[O-] MOL0379
-C[n+]1ccccc1C=NO MOL0380
-COc1ccc(C(=O)c2ccccc2)c(O)c1 MOL0381
-CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O MOL0382
-CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)O MOL0383
-O=C1c2ccccc2C(=O)c2c1cc(S(=O)(=O)O)c(O)c2O MOL0384
-O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O MOL0385
-O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1 MOL0386
-O=S(=O)(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c2ccccc12 MOL0387
-O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3cccc4ccccc34)c(S(=O)(=O)O)c2)cc1 MOL0388
-O=S1(=O)OC(c2cc(Cl)c(O)c(Br)c2)(c2cc(Cl)c(O)c(Br)c2)c2ccccc21 MOL0389
-Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br MOL0390
-O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21 MOL0391
-Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br MOL0392
-Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c12 MOL0393
-O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21 MOL0394
-O=S(=O)(O)c1cccc2c(N=Nc3ccc(N=Nc4ccc(Nc5ccccc5)c5c(S(=O)(=O)O)cccc45)c4ccccc34)cccc12 MOL0395
-O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(N=Nc4ccccc4)cc3)c(O)ccc2c1 MOL0396
-N=C(N)NN.O=C(O)O MOL0397
-N=C(N)NCCCC(N)C(=O)O MOL0398
-CN(C)P(=O)(N(C)C)N(C)C MOL0399
-O=C1C=C2C(=CCOC2O)O1 MOL0400
-O=C(O)C=CCCCCCCCCC(=O)O MOL0401
-CC(=O)C(C)(CCC(=O)O)CCC(=O)O MOL0402
-N#CNC(=N)NC#N MOL0403
-N#CN(CS(=O)(=O)O)C(=N)N MOL0404
-N=c1nc2[nH][nH]c(=N)n2c(=N)[nH]1 MOL0405
-Nc1ccccc1SSc1ccccc1N MOL0406
-CC(C)(C)CC(C)(C)SSc1n[nH]c(=S)s1 MOL0407
-CC(CN(C)C)Sc1nnc(SC(C)CN(C)C)s1 MOL0408
-C=Cc1ccc(CC)cn1 MOL0409
-O=C(O)c1cc(O)ccc1O MOL0410
-Oc1ccccc1C1SC(c2ccccc2O)SC(c2ccccc2O)S1 MOL0411
-O=S(=O)(O)C(C(I)I)S(=O)(=O)O MOL0412
-O=S(=O)(O)CS(=O)(=O)O MOL0413
-O=C1C=C(O)C(=O)c2ccccc21 MOL0414
-O=C1C(=C2Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21 MOL0415
-Oc1ccc2c(c1)OCC1(O)Cc3cc(O)c(O)cc3C21 MOL0416
-Oc1cc2c(cc1O)C1c3ccc(O)c(O)c3OCC1(O)C2 MOL0417
-CC[n+]1c2ccc(C)cc2nc2c3ccccc3c(N)cc21 MOL0418
-Cc1cc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc([N+](C)(C)C)cc2)ccc1N(C)C MOL0419
-CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1 MOL0420
-O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1 MOL0421
-O=c1ccc2ccccc2o1 MOL0422
-CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C MOL0423
-CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1 MOL0424
-CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 MOL0425
-C=CS(=O)(=O)O MOL0426
-CCC(CS(=O)(=O)O)[N+](=O)[O-] MOL0427
-Ic1nc(-c2ccccc2)[nH]c1I MOL0428
-CC1(C)SSC(C)(C)SS1 MOL0429
-CCCC(C(=O)OCC(C)N1CCCC1(C)C)C1CCCC1 MOL0430
-O=C(OCCN1CCCC12CCCCC2)C(c1ccccc1)C1CCCC1 MOL0431
-CC(=O)C1CCC2C1(C)CC1OC13C21C=CC2(CC(O)CCC23C)C2C(=O)OC(=O)C21 MOL0432
-CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O MOL0433
-C[N+]1(CCC(C(N)=O)(c2ccccc2)c2ccccc2)CCCC12CCCCC2 MOL0434
-COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C MOL0435
-CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12 MOL0436
-O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 MOL0437
-CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O MOL0438
-CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O MOL0439
-CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O MOL0440
-CN(C)c1ccc2nc3c(ccc4ccccc43)[o+]c2c1 MOL0441
-CCN(CC)CCCOP(=O)(OCCCN(CC)CC)OCCCN(CC)CC MOL0442
-Oc1nnc(O)c2c1[nH]c(=S)n2-c1ccccc1 MOL0443
-Cc1cc(=O)oc2cc(O)ccc12 MOL0444
-Cc1ncc2c(n1)NC(=O)NC2 MOL0445
-O=C(O)CCCCCCCCCCCC(=O)O MOL0446
-O=S(=O)(O)c1ccc(NN(c2c(O)ccc3ccccc23)S(=O)(=O)O)cc1 MOL0447
-Cc1cc(O)ccc1C1(c2ccc(O)cc2C)OS(=O)(=O)c2ccccc21 MOL0448
-COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O MOL0449
-CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(S(=O)(=O)O)cc2)cc1 MOL0450
-NNC(=O)c1ccncc1 MOL0451
-COC1C(O)CCC2(CO2)C1C1(C)OC1CC=C(C)C MOL0452
-COc1ccc2c(c1)CCCN2CCCCCCCCCCN(CCC(C)C)CCC(C)C MOL0453
-CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO MOL0454
-CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C MOL0455
-C1CN1c1nc(N2CC2)nc(N2CC2)n1 MOL0456
-CC(=O)C1CCC2C1(C)CC=C1C23C=CC2(CC(O)CCC12C)C(C(=O)O)C3C(=O)O MOL0457
-Cc1cc(S(=O)(=O)O)ccc1N=Nc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1 MOL0458
-CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O MOL0459
-CC(=O)OCC[N+](C)(C)C.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O MOL0460
-Oc1nnc(O)c2[nH]cnc12 MOL0461
-COc1ccc2nc(C)cc(NCCCCCCCCCNc3cc(C)nc4ccc(OC)cc34)c2c1 MOL0462
-CCC(N)CS(=O)(=O)O MOL0463
-Cc1cc(N=Nc2ccc([N+](=O)[O-])cc2)c(NCC(O)C(O)C(O)CO)cc1C MOL0464
-N#CC1(c2ccccc2)CCOCC1 MOL0465
-CC1=CC(C)=Nc2ccccc2N1 MOL0466
-COc1cc2c(cc1OC)NC(C)=CC(C)=N2 MOL0467
-COc1ccc2c(c1OC)CC1COCC21 MOL0468
-COc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1OC MOL0469
-O=C1CCc2ccccc2O1 MOL0470
-CC1=CC(C)=Nc2cc(Cl)ccc2N1 MOL0471
-CCOC=C1C(=O)N(C(C)=O)c2cc(OC)c(OC)cc21 MOL0472
-C1=C(c2ccccc2)Nc2ccccc2N=C1c1ccccc1 MOL0473
-COc1ccc2c(c1OC)C(=O)OC2c1c2c(c(OC)c3c1OCO3)C(C1OC(=O)c3c1ccc(OC)c3OC)N(C)CC2 MOL0474
-CN1BN(C)BN(C)B1 MOL0475
-O=c1oc2ccc([N+](=O)[O-])cc2cc1Br MOL0476
-Cc1ccc(C=C2CCOC2=O)cc1 MOL0477
-S=P(N1CCOCC1)(N1CC1)N1CC1 MOL0478
-O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2O)cc1 MOL0479
-Cc1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(C)c1 MOL0480
-O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21 MOL0481
-N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1 MOL0482
-Cc1ccc(N=Nc2ccc(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c2O)c(C)c1 MOL0483
-Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O MOL0484
-CCCCCCCCCCCCCCCCCC(=O)O.CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1 MOL0485
-CNCCS(=O)(=O)O MOL0486
-CSP(=S)(SC)SC(C)c1ccc(C)cc1 MOL0487
-CSSC(SC)SC MOL0488
-OC1CN=C2C=CC=CN2C1 MOL0489
-CC(=O)Oc1ccc2c(oc(=O)c3nc(C)oc32)c1C MOL0490
-N#CCCN1C(=O)CCC2(CCC(=O)N(CCC#N)C2=O)C1=O MOL0491
-CSc1ccc(C=NC(=N)SN)cc1C MOL0492
-O=c1oc2c(ccc3c(O)cccc32)c2c1CCCC2 MOL0493
-Nc1nc(N)nc(Nc2ccc([As](=O)(O)O)cc2)n1 MOL0494
-CC(=O)C(CCC(=O)O)(CCC(=O)O)C(C)C MOL0495
-Cc1cnc2cc(Cl)ccc2c1NCCN(CC(C)C)CC(C)C.O=P(O)(O)O MOL0496
-CCCCN(CCCC)CCCCNc1c(C)cnc2cc(Cl)ccc12.O=P(O)(O)O MOL0497
-Cc1ccc2oc3ccccc3c(=O)c2c1 MOL0498
-Cc1cccc2c(=O)c3ccccc3oc12 MOL0499
-O=C1OS(=O)(=O)c2ccccc21 MOL0500
-Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N MOL0501
-O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21 MOL0502
-Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21 MOL0503
-CC1(C)Nc2cccc3c(N=Nc4ccc(N=Nc5ccccc5)c5ccccc45)ccc(c23)N1 MOL0504
-Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)cc1 MOL0505
-Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O MOL0506
-NC(CCSSCCC(N)C(=O)O)C(=O)O MOL0507
-CCOC(=O)COc1c(C)cc(SSc2cc(C)c(OCC(=O)OCC)c(C)c2)cc1C MOL0508
-O=C1c2cccc3cccc(c23)C(=O)N1CCO MOL0509
-O=C(O)c1cc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)ccc1O MOL0510
-N=c1[nH]c(=O)c2nn(-c3ccc(C(=O)O)cc3)nc2[nH]1 MOL0511
-CC(=O)c1c(O)c2ccccc2oc1=O MOL0512
-O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 MOL0513
-CNc1ccc2cc3ccc(NC)cc3[o+]c2c1 MOL0514
-O=c1cc(O)c2ccccc2o1 MOL0515
-O=C1OC2OC3OC(=O)C4C3CC2C14 MOL0516
-CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O MOL0517
-COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O MOL0518
-COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3 MOL0519
-CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCC)c4c3O)c(O)c12 MOL0520
-Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCO)c2c1O MOL0521
-Cc1cc2c(C(C)C)c(O)c(O)c(C=NCc3ccoc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCc3ccco3)c2c1O MOL0522
-CCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCC)c4c3O)c(O)c12 MOL0523
-CCCCCCCCCCN=Cc1c(O)c(O)c(CCC)c2cc(C)c(-c3c(C)cc4c(CCC)c(O)c(O)c(C=NCCCCCCCCCC)c4c3O)c(O)c12 MOL0524
-CCCCCCCCC=CCCCCCCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCCCCCCC=CCCCCCCCC)c4c3O)c(O)c12 MOL0525
-C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4C(=O)O)C(CCC(=O)O)C3C MOL0526
-O1[SiH]2[SiH]3O[SiH]3[SiH]3O[SiH]3[SiH]12 MOL0527
-CCCCCCCCCCCC(C(=O)O)C(=O)O MOL0528
-C=C(C)C1CCC2(C)OC2C1 MOL0529
-O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1 MOL0530
-O=[N+]([O-])c1ccc(S(=O)(=O)NN=CC=Cc2ccccc2)cc1 MOL0531
-O=[N+]([O-])c1ccc(S(=O)(=O)NN=Cc2cccc3ccccc23)cc1 MOL0532
-CCCCC(CC)C(=O)OC(C)CN(CC(C)OC(=O)C(CC)CCCC)C(=O)C(C)OC(=O)C(CC)CCCC MOL0533
-O=C(O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O MOL0534
-O=c1ccc2nc3ccc(O)cc3oc-2c1 MOL0535
-Oc1nnc(O)c2c1[nH]c(=S)n2Cc1ccccc1 MOL0536
-CC1(C)C2CC3OC3(C)C1C2 MOL0537
-Cc1cc(N)c2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1 MOL0538
-CC12C=CC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F MOL0539
-CCCCC(C#N)C(=O)NC(N)=O MOL0540
-Cn1c(=O)c2c(nc(NCC[N+](C)(C)C)n2C)n(C)c1=O MOL0541
-CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O MOL0542
-Cn1c(=O)c2c(nc(NCC[N+](C)(C)Cc3ccc(Cl)cc3)n2C)n(C)c1=O MOL0543
-CCCCN(CCO)Cc1cc(Nc2c3ccccc3nc3ccccc23)ccc1O MOL0544
-OCn1nnc2ccccc21 MOL0545
-COc1ccc(C(C#N)=Cc2cccc([N+](=O)[O-])c2)cc1 MOL0546
-CC(CNc1ccc(Cl)cc1)(CNc1ccc(Cl)cc1)[N+](=O)[O-] MOL0547
-COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CCN MOL0548
-COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C(=O)O)c(O)c3)c2c1 MOL0549
-COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1 MOL0550
-OC1COc2ccc(Cl)cc2CSC1 MOL0551
-Cc1ccc2c(c1)CSCCO2 MOL0552
-CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C MOL0553
-O=[As](O)(O)c1ccc(N=Nc2ccc(O)cc2)cc1 MOL0554
-O=C1CSC2=NCCN12 MOL0555
-COc1ccc(C=C2SC(=S)NC2=O)cc1 MOL0556
-Cc1cc[n+](C2=C(O)C(=O)C3=C(C2=O)C2c4ccccc4C3c3ccccc32)c(C)c1 MOL0557
-O=C(N1CCCCC(Cl)(Cl)C1=O)C(Cl)(Cl)Cl MOL0558
-O=C1CCCCCN1C(=O)c1ccccc1 MOL0559
-[Li]F MOL0560
-CCN(CC)CC(O)CNc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12 MOL0561
-OCCNCCNc1c2ccccc2nc2cc(Cl)ccc12 MOL0562
-Nc1cccc(P(N)(N)=O)c1 MOL0563
-Oc1nc2ccccc2c(O)c1CCCC1CCCCC1 MOL0564
-CCN(CC)c1ccc(C=Cc2n(C)c3ccccc3[n+]2-c2ccccc2)cc1 MOL0565
-NC(CSSCC(N)C(=O)O)C(=O)O MOL0566
-Cc1nc2ccccc2c2c(N)cccc12 MOL0567
-CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12 MOL0568
-CCN(CC)CCNc1c(OC)c(OC)cc2nccnc12.O=P(O)(O)O MOL0569
-CCCCN(CCCC)CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.O=P(O)(O)O MOL0570
-OC(c1ccccn1)c1c(Cl)cccc1Cl MOL0571
-CC(=O)c1c(O)nc2cc(Cl)ccc2c1O MOL0572
-COc1ccc2nc(O)c(C(C)=O)c(O)c2c1 MOL0573
-CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F MOL0574
-CN1CCCCC(C(O)(c2ccccc2)c2ccccc2)C1=O MOL0575
-CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2cc(OC)ccc12.O=P(O)(O)O MOL0576
-S=C(S)N1CCNCC1 MOL0577
-CCCCC(CC)CN(Cc1cc(CN(CC(CC)CCCC)CC(CC)CCCC)c(O)c(CN(CC(CC)CCCC)CC(CC)CCCC)c1)CC(CC)CCCC MOL0578
-S=C1SCN2CCN3CSC(=S)N(CCN1C2)C3 MOL0579
-CCCCOC(=O)CC(C(=O)OCCCC)C(C(=O)OCCCC)P(=O)(OCCCC)OCCCC MOL0580
-CC1OC(=O)C2=C1C(=O)CC(C)(C)O2 MOL0581
-COc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3 MOL0582
-Cn1c(SSc2ccc(-c3cccnc3)n2C)ccc1-c1cccnc1 MOL0583
-O=C1OCCC1=Cc1ccc2c(c1)OCO2 MOL0584
-COc1ccc(C=C2CCOC2=O)cc1OC MOL0585
-CN(C)c1ccc(C=C2CCOC2=O)cc1 MOL0586
-COc1cc(C=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC MOL0587
-COc1cc(C=C2CCOC2=O)ccc1OCc1ccccc1 MOL0588
-CN(C)c1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 MOL0589
-NC(=O)NC(=O)c1ccco1 MOL0590
-COc1ccc(C=C(C#N)c2ccccc2)cc1 MOL0591
-CN1C(=O)C(=O)n2c(cc3ccccc32)C1=O MOL0592
-COc1ccc2nc(CC(=N)c3ccc(N(C)C)cc3)ccc2c1 MOL0593
-CN(C)S(=O)(=O)N1C(=O)c2ccccc2C1=O MOL0594
-CCCCCN(CCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1 MOL0595
-CN(C)c1nc(N(C)C)nc(N(C)C)n1 MOL0596
-CC(C)COC(=O)CS(=O)(=O)O MOL0597
-Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1-2 MOL0598
-Cc1cc2cc3cc(C)c(N)cc3nc2cc1N MOL0599
-O=C1C2=C(C(=O)c3ccccc31)C(O)(S(=O)(=O)O)C(O)(S(=O)(=O)O)C1N=CC=CC21 MOL0600
-Cc1cc(C(=C2C=CC(=N)C(S(=O)(=O)O)=C2)c2ccc(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N MOL0601
-O=S(=O)(O)c1cc(N=Nc2ccc(O)cc2)ccc1C=Cc1ccc(N=Nc2ccc(O)cc2)cc1S(=O)(=O)O MOL0602
-S=C1CCCCCN1 MOL0603
-COc1ccc(C(=O)C2=NON3OC23C(=O)c2ccc(OC)cc2)cc1 MOL0604
-CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O MOL0605
-CCCCN(CCCC)CCCCCCCN1CCCc2cc(OC)ccc21 MOL0606
-NC1=NC(N)=N1 MOL0607
-Cn1c(=O)c2nc(O)c(O)nc2n(C)c1=O MOL0608
-CCN(CC)CC(=O)Nc1ccc(CO)cc1 MOL0609
-O=C1NC(=O)C(CCSSCCC2NC(=O)NC2=O)N1 MOL0610
-CC(=O)Nc1ccc(SSc2ccc(NC(C)=O)c3cccnc23)c2ncccc12 MOL0611
-COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.Cn1c(=O)c2nc(Br)[nH]c2n(C)c1=O MOL0612
-CN1C(=O)N(C)C2SC(NCc3ccccc3)=NN2C1=O MOL0613
-Cn1c(=O)c2c(nc(CCCCCc3nc4c(c(=O)n(C)c(=O)n4C)n3C)n2C)n(C)c1=O MOL0614
-CC1(C)C(=NO)C(C)(C)C1=NO MOL0615
-CC(C)(C)CC1=CC(=C2C=C(CC(C)(C)C)C(=O)C(CC(C)(C)C)=C2)C=C(CC(C)(C)C)C1=O MOL0616
-N=C(NC(=N)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)Nc1ccc(Br)cc1 MOL0617
-CCCCC(CC)CCC(CCC(CC)CCCC)S(=O)(=O)O MOL0618
-O=P(Oc1ccccc1)(Oc1ccccc1)N1CCOCC1 MOL0619
-O=C(O)CCSC(=S)NCCNC(=S)SCCC(=O)O MOL0620
-CC1CN2COC(=S)SSSSC(=S)OCN3CC(C)N(COC(=S)SSSSC(=S)OCN1CC2C)CC3C MOL0621
-NC(=O)NCOC(=S)SSSC(=S)OCNC(N)=O MOL0622
-CC1CNC(=S)SSC(=S)N1 MOL0623
-N=C(NC(O)C(Cl)(Cl)Cl)SCNC(=O)NCSC(=N)NC(O)C(Cl)(Cl)Cl MOL0624
-OCCNC(=S)SSC(=S)NCCO MOL0625
-CNC(=S)SSC(=S)NCCNC(=S)SSC(=S)NC MOL0626
-COC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC MOL0627
-CN(C)COC(=S)SC(=O)OCCCl MOL0628
-CCC1(CC)COP(=S)(S)OC1 MOL0629
-CC(C)N1CSC(=S)NCCNC(=S)SC1 MOL0630
-CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 MOL0631
-CCCC1OC(CCC)C2CCCOC2O1 MOL0632
-CCn1c(C)nc2c(N)cccc2c1=O MOL0633
-CC1Nc2c(ccc3ncccc23)C(=O)N1Nc1ccccc1 MOL0634
-CN1C(=O)CSC1=S MOL0635
-Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 MOL0636
-O=c1oc2ccccc2cc1-c1ccccc1 MOL0637
-C=Cc1cc[n+](CCCCCCCCCCCC)cc1 MOL0638
-O=c1c2ccccc2oc2ccccc12 MOL0639
-O=C(O)C=CCCCCC(=O)O MOL0640
-CC1CN2CC(C)OB(O1)OC(C)C2 MOL0641
-O=C(c1ccccc1)N1CN(C(=O)c2ccccc2)CN(C(=O)c2ccccc2)C1 MOL0642
-C[N+]12CC[N+](C)(CC1)CC2 MOL0643
-O=C(O)CCCCCCCCCCCCCCC(=O)O MOL0644
-O=CCC(O)C(O)C(O)CO MOL0645
-O=[N+]([O-])O MOL0646
-S=C(SSSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1 MOL0647
-CNC(=S)SSSC(=S)NC MOL0648
-CNC(=S)SSSSC(=S)NC MOL0649
-CN(C)C(=S)SSSC(=S)N(C)C MOL0650
-CN(C)C(=S)SSSSC(=S)N(C)C MOL0651
-CCOC(=O)SC1=NC(C)=CC(C)(C)S1 MOL0652
-CCCCNC(=S)SSSC(=S)NCCCC MOL0653
-CCCCNC(=S)SSSSC(=S)NCCCC MOL0654
-S=C1NC2(CCCCC2)C2=C(CCCC2)S1 MOL0655
-S=C(NC1CCCCC1)SSSC(=S)NC1CCCCC1 MOL0656
-S=C(NC1CCCCC1)SSSSC(=S)NC1CCCCC1 MOL0657
-CCOC(=O)OC(=S)N(C1CCCCC1)C1CCCCC1 MOL0658
-Cc1ccc(C(C)C)c(OP(=S)(S)Oc2cc(C)ccc2C(C)C)c1 MOL0659
-S=C(SSSSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1 MOL0660
-Cc1ccc2nc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)cc3)sc2c1S(=O)(=O)O MOL0661
-CC(=O)SC1CC(=O)C=C2CCC3C4CCC(=O)OC4(C)CCC3C21C MOL0662
-C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C MOL0663
-CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1 MOL0664
-O=[As](O)(O)c1cc(N=Nc2ccc(-c3ccc(N=Nc4cc([As](=O)(O)O)c(O)cc4O)cc3)cc2)c(O)cc1O MOL0665
-OCC(O)C1O[Sb](O)(O)(O)OC1C(O)CO MOL0666
-COC(=O)C1=COC(C)C2C[n+]3ccc4c([nH]c5ccccc54)c3CC12 MOL0667
-CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O MOL0668
-O=C(O)c1cnc2c([N+](=O)[O-])cccc2c1O MOL0669
-COc1ccccc1C=Cc1ccc2ccccc2n1 MOL0670
-COc1ccccc1C=Cc1ccnc2ccccc12 MOL0671
-CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1 MOL0672
-COc1ccc(C(C#N)=Cc2ccc(N(C)C)cc2)cc1 MOL0673
-CCN(CCNc1ccc(C)c2sc3ccccc3c(=O)c12)CC(C)(C)O MOL0674
-O=C(O)c1c2c(nc3ccccc13)CCC2 MOL0675
-CC(=O)C(SSC(C(C)=O)C(C)=O)C(C)=O MOL0676
-O=C(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl MOL0677
-O=c1c2ccccc2c(=O)c2c1c1c(=O)c3ccccc3c(=O)c1c1c(=O)c3ccccc3c(=O)c21 MOL0678
-c1ccc2c(c1)Sc1ccccc1C2=C1c2ccccc2Sc2ccccc21 MOL0679
-c1ccc2c(c1)c1ccccc1n2-n1c2ccccc2c2ccccc21 MOL0680
-c1ccc2c(c1)C1=Nc3c4ccccc4c4n3[Cu-3]35n6c(c7ccccc7c6=NC6=[N+]3C(=N4)c3ccccc36)=NC2=[N+]15 MOL0681
-Cc1ncc2c(c1O)COC2=O MOL0682
-O=Cc1c(O)nc2ccccc2c1O MOL0683
-CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-] MOL0684
-c1ccc2c3c(ccc2c1)O[Fe-4]12(Oc4ccc5ccccc5c4N=[O+]1)(Oc1ccc4ccccc4c1N=[O+]2)[O+]=N3 MOL0685
-CCN(CC)c1ccc2nc3c4ccccc4c(=O)cc-3n(-c3ccccc3)c2c1 MOL0686
-O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1 MOL0687
-CCCCCCC(CC)(C(=O)O)C(=O)O MOL0688
-c1csc([As](O[As](c2cccs2)c2cccs2)c2cccs2)c1 MOL0689
-CN1CCCCCCC1CO MOL0690
-CCCCOC(=O)CCC(Nc1nc(Cl)nc(Cl)n1)C(=O)OCCCC MOL0691
-O=C1NC(=O)C(CCCCO)N1 MOL0692
-COC(=O)C(CCC(=O)O)N1C(=O)c2ccccc2C1=O MOL0693
-[N-]=[N+]=C(S(=O)(=O)O)S(=O)(=O)O MOL0694
-NC(S(=O)(=O)O)S(=O)(=O)O MOL0695
-Oc1nc2ccccc2c(O)c1-c1ccccc1 MOL0696
-CCCCCNC(=O)C(O)C(O)C(=O)NCCCCC MOL0697
-O=C1NC(=O)C2(CCCCC2)N1 MOL0698
-Cc1ccc(C(=O)O)c(O)c1 MOL0699
-CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)c(C)c3CC MOL0700
-C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL0701
-OCC1OC2NC(=S)OC2C(O)C1O MOL0702
-COc1cc(C2CC(=O)c3ccccc3O2)ccc1O MOL0703
-OCCN1CSC(=S)NCCNC(=S)SC1 MOL0704
-S=C(NCCNC(=S)SSC(=S)NNc1ccccc1)SSC(=S)NNc1ccccc1 MOL0705
-S=C(NNc1ccccc1)SSSC(=S)NNc1ccccc1 MOL0706
-CN(C)C(=S)SSC(=S)SSC(=S)N(C)C MOL0707
-O=S1c2ccccc2Sc2ccccc21 MOL0708
-O=S1c2ccccc2S(=O)c2ccccc21 MOL0709
-O=C1OCCC1=Cc1ccc(O)cc1 MOL0710
-O=C(CSCC(=O)NN=Cc1ccccc1)NN=Cc1ccccc1 MOL0711
-Nc1nc(O)c2c(n1)Cc1c(O)nc(N)nc1C2 MOL0712
-SC1N=C(c2ccco2)N2C(S)N=C(c3ccccc3)N12 MOL0713
-S=C1NC2(CCCCC2)N2C(=S)NC3(CCCCC3)N12 MOL0714
-SC1N=C(c2ccccc2)N2C(S)N=C(c3ccccc3)N12 MOL0715
-S=C1NC(C=Cc2ccccc2)N2C(=S)NC(C=Cc3ccccc3)N12 MOL0716
-O=C(O)O MOL0717
-CCOC(=O)C1CC(C(=O)OCC)c2nc3ccccc3nc21 MOL0718
-COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)cc3C1C2 MOL0719
-NCCOB(c1ccccc1)c1ccccc1 MOL0720
-COc1ccc(-n2nc(C)ccc2=O)cc1 MOL0721
-COc1ccc(-n2nc(C)cc(Cl)c2=O)cc1 MOL0722
-COc1ccc(-n2nc(C)cc(N)c2=O)cc1 MOL0723
-CCOC(=O)c1ccc(-n2nc(C)cc(Cl)c2=O)cc1 MOL0724
-O=c1ccc(=O)n(-c2ccccc2)[nH]1 MOL0725
-COCCOC(C)C(=O)C(O)S(=O)(=O)O MOL0726
-CCOC(C)C(=O)OCC(C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C)c1ccccc1 MOL0727
-Cc1cc(Cl)cc2c1SC(=C1Sc3c(C)cc(Cl)cc3C1=O)C2=O MOL0728
-CC(=O)Nc1ccc(S(=O)(=O)NN=C2CCCC2)cc1 MOL0729
-CN(NC(=O)Nc1cccc2ccccc12)c1ccccc1 MOL0730
-CCCCN(CCCC)NC(=S)Nc1ccccc1 MOL0731
-CN1C(=O)CCC2(c3ccccc3)CC=C(O)C=C12 MOL0732
-CCOC(=O)C(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2 MOL0733
-CCCCCCCCCCCCNC(=O)C(O)C(O)C(O)C(COS(=O)(=O)O)OS(=O)(=O)O MOL0734
-CCOC(=O)C1=C(C)C2=Cc3c(C)c(C(=O)OCC)c(C)n3[Cu-3]3(n4c(C)c(C(=O)OCC)c(C)c4C=C4C(C)=C(C(=O)OCC)C(C)=[N+]43)[N+]2=C1C MOL0735
-CCC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Cu-3]31n3c(c(C)c(CC)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)OC)=C2C MOL0736
-CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 MOL0737
-CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 MOL0738
-CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 MOL0739
-O=C1CSC(=S)N1c1ccccc1 MOL0740
-C[N+]1(CCN[N+]2(C)CCCCC2)CCc2ccccc2C1 MOL0741
-NN1CCc2ccccc2C1.O=C(O)C=CC(=O)O MOL0742
-OC(CNc1ccccn1)c1ccccc1 MOL0743
-O=C1CC(=O)N(CCc2ccccn2)C(=O)N1CCc1ccccn1 MOL0744
-O=C1CC(=O)N(CCc2ccncc2)C(=O)N1CCc1ccncc1 MOL0745
-C=Cc1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1 MOL0746
-c1ccc(Cn2cc(CCc3ccncc3)c3ccccc32)cc1 MOL0747
-Sc1cnnc2ccccc12 MOL0748
-COc1cc2nncc(S)c2cc1OC MOL0749
-Oc1nnnc2cc(Cl)ccc12 MOL0750
-CSc1nnnc2ccccc12 MOL0751
-CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC MOL0752
-Nc1ccc(S(=O)(=O)NN=Cc2ccco2)cc1 MOL0753
-CC(C)=CC(C)=NNS(=O)(=O)c1ccc(N)cc1 MOL0754
-CCOC(=O)CC(C)=NNS(=O)(=O)c1ccc(N)cc1 MOL0755
-CC1CCCCC1=NNS(=O)(=O)c1ccc(N)cc1 MOL0756
-CC1CCC(=NNS(=O)(=O)c2ccc(N)cc2)CC1 MOL0757
-Nc1ccc(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)cc1 MOL0758
-CC(=NNS(=O)(=O)c1ccc(N)cc1)c1ccccc1O MOL0759
-COc1cc(C=NNS(=O)(=O)c2ccc(N)cc2)ccc1O MOL0760
-CC(=O)Nc1ccc(S(=O)(=O)NN=C(C)C2CCOC2=O)cc1 MOL0761
-CN(C)c1ccc(C=NNS(=O)(=O)c2ccc(N)cc2)cc1 MOL0762
-CCCCC(CC)=NNS(=O)(=O)c1ccc(NC(C)=O)cc1 MOL0763
-CC(C=Cc1ccccc1)=NNS(=O)(=O)c1ccc(N)cc1 MOL0764
-CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2ccc(C)cc2)cc1 MOL0765
-COc1ccc(C=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL0766
-COc1ccc(C(C)=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL0767
-CCC1(O)CCCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC21C MOL0768
-C=Cc1ccccn1 MOL0769
-C=Cc1ccncc1 MOL0770
-O=S(=O)(O)C(O)CC(O)S(=O)(=O)O MOL0771
-O=S(=O)(O)C(O)CCC(O)S(=O)(=O)O MOL0772
-O=S(=O)(O)C(O)CC=C(C(O)S(=O)(=O)O)C(O)S(=O)(=O)O MOL0773
-O=S(=O)(O)C(O)C(O)S(=O)(=O)O MOL0774
-O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 MOL0775
-CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Cu-3]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL0776
-CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Ni-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL0777
-CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Pd-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL0778
-CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2=O MOL0779
-CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC MOL0780
-CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC MOL0781
-C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCC(CCCCCCCC2CC[N+](C)(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 MOL0782
-O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MOL0783
-C1CN(SSN2CCSCC2)CCS1 MOL0784
-CN(CCN(C)CC(=O)O)CC(=O)O MOL0785
-CC1=[O+][Cu-3]23[O+]=C(C)CC(C)=[N+]2C(C)C[N+]3=C(C)C1 MOL0786
-CC[N+](C)(CC)CCC[N+]12CCC(CC1)CC2 MOL0787
-CC(NCCNC(C)c1cccnc1)c1cccnc1 MOL0788
-C#CCN1CCCC(O)C1.O=C(O)C=CC(=O)O MOL0789
-Sc1nnc(S)c2[nH]cnc12 MOL0790
-CC1OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C(OC2OC(CO)C(O)C(O)C2N(C)C=N)C1(O)CO.O=S(=O)(O)O MOL0791
-CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=NNC(N)=S)OC(CO)C(O)C1O.O=S(=O)(O)O MOL0792
-CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21 MOL0793
-O=C1CCCCC1CN1CCCCC1 MOL0794
-O=S(=O)(O)c1ccc(Sc2ccc(S(=O)(=O)O)cc2)cc1 MOL0795
-N=C(N)Nc1ccc(-c2ccc(NC(=N)N)cc2)cc1.O=S(=O)(O)O MOL0796
-O=C(CCSCCC(=O)NNc1ccccc1)NNc1ccccc1 MOL0797
-CC(C)c1ccc(O)c(=O)cc1 MOL0798
-O=C(CCl)Nc1cccc2ccccc12 MOL0799
-O=S1(=O)c2ccccc2S(=O)(=O)c2ccccc21 MOL0800
-O=C(c1no[n+]([O-])c1C(=O)c1csc2ccccc12)c1csc2ccccc12 MOL0801
-O=C1CCCCN1 MOL0802
-Nc1c(O)nc2c(c1N)CCC2 MOL0803
-CC(=O)Nc1cc(O)nc2c1CCC2 MOL0804
-O=C(O)c1ccccc1C(=O)NC(Cc1ccccc1)(C(=O)O)C(=O)O MOL0805
-COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O)cc1 MOL0806
-Cc1cc(=O)oc2cc(O)ccc12 MOL0807
-O=c1cc(-c2ccccc2)oc2ccccc12 MOL0808
-COc1ccc(C=CC(=O)c2c(OC)cc(OC)c(OC)c2O)cc1 MOL0809
-Cc1[nH][nH]c(=N)c1C#N MOL0810
-Oc1ncnc2sc(Nc3ccccc3)nc12 MOL0811
-O=C(O)CS(=O)(=O)O MOL0812
-CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL0813
-Oc1ccc(C=Cc2cnccn2)cc1 MOL0814
-Oc1cccc(C=Cc2ccncc2)c1 MOL0815
-Cc1ccccc1-c1nc2c(N)nc(N)nc2nc1N MOL0816
-O=c1cc(Cl)c(Cl)nn1-c1ccccc1 MOL0817
-O=c1cc(Cl)c(=O)n(-c2ccccc2)[nH]1 MOL0818
-O=c1[nH]n(-c2ccccc2)c(=O)cc1Cl MOL0819
-Nc1cc(=O)n(-c2ccccc2)nc1Cl MOL0820
-O=CNc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL0821
-C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21 MOL0822
-c1ccc(N2CCN(c3ccccn3)CC2)nc1 MOL0823
-O=C(O)CCCCCCCCC(=O)O MOL0824
-O=C(O)CCCCCCCC(=O)O MOL0825
-Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 MOL0826
-COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21 MOL0827
-Cc1ccc2ccc(=O)oc2c1 MOL0828
-CC(=O)C1=C(C)C2=Cc3c(C(C)=O)c(C)c4n3[Fe-3]35(Cl)n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25 MOL0829
-S=C1NCCNC(=S)SS1 MOL0830
-CCCC1OP(N)(=O)OCC1CC MOL0831
-CC(O)CSP(=S)(Oc1ccccc1)Oc1ccccc1 MOL0832
-CN(C)COC(=S)SSSC(=S)OCN(C)C MOL0833
-C[N+]1(C)COC(=S)S[Fe-4]123(SC(=S)OC[N+]2(C)C)SC(=S)OC[N+]3(C)C MOL0834
-CCC1(CC)COP(=O)(Oc2ccccc2)OC1 MOL0835
-O=c1ccc2ccc(O)cc2o1 MOL0836
-O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12 MOL0837
-COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1 MOL0838
-CC1OC(Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O MOL0839
-c1ccc(-c2cc(N3CCOCC3)c3ccccc3n2)cc1 MOL0840
-CC1(C)c2ccccc2-c2nc3ccccc3cc2C1N1CCOCC1 MOL0841
-CCN(CC)CCOc1ccc(C(O)(Cc2ccc(OC)cc2)c2ccccc2)cc1 MOL0842
-CCCCc1ccc(C(=O)O)nc1 MOL0843
-C[N+](C)(C)CCCC#CC[N+]1(C)CCOCC1 MOL0844
-C[N+]1(CCCC(O)CC[N+]2(C)CCCC2)CCCC1 MOL0845
-CC(=O)O[Hg]CC(O)Cn1c(=O)c2c(ncn2C)n(C)c1=O MOL0846
-COC1CNC(NC(=O)CCC(=O)O)=[O+][Hg-2]2(C1)[O+]=C1c3c(ncn32)N(C)C(=O)N1C MOL0847
-COC1CNC(N)=[O+][Hg-](Cl)C1 MOL0848
-COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CC1CCCCN1C3 MOL0849
-CC(=O)N1C(=O)CC(c2ccccc2)Sc2ccccc21 MOL0850
-c1ccc(Nc2cc(Nc3ccccc3)cc(Nc3ccccc3)c2)cc1 MOL0851
-CC1CC2OC(=O)C3(C)C2C(OC3(C)O)C2(C)C(=O)C=CC12 MOL0852
-CCCC(C(=O)OCCN1CCCC12CCCCC2)C1CCCC1 MOL0853
-Clc1ccc2c(c1)N(CCCN1CCCC13CCCCC3)c1ccccc1S2 MOL0854
-CN1OC2CCC1CC(OC(c1ccccc1)c1ccccc1)C2 MOL0855
-C1CCC2(CC1)CCCN2 MOL0856
-COC(=O)C1C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1O MOL0857
-C[Hg]NC(=N)NC#N MOL0858
-Oc1nc(O)c2nc(O)nc(O)c2n1 MOL0859
-COC(=O)CCC1=C(C)C2=[N+]3C1=Cc1c(CCC(=O)OC)c(C)c4n1[Ni-2]31n3c(c(C)c(C(C)=O)c3=CC3=[N+]1C(=C4)C(C(C)=O)=C3C)=C2 MOL0860
-Cc1cc(=O)oc2ccccc12 MOL0861
-O=S(=O)(O)Nc1cnc(O)nc1O MOL0862
-Oc1nnnc2ccccc12 MOL0863
-Sc1nnnc2ccccc12 MOL0864
-CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 MOL0865
-CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O MOL0866
-Cc1ccc(S(=O)(=O)OC(c2ccccc2)c2ccccc2)cc1 MOL0867
-Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O MOL0868
-CCCCOCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12 MOL0869
-O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O MOL0870
-CCN(CCO)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 MOL0871
-N=C(N)Nc1ccc(N)cc1 MOL0872
-N=C(N)NC(CSSCC(NC(=N)N)C(=O)O)C(=O)O MOL0873
-O=[N+]([O-])c1cccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 MOL0874
-O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL0875
-Cc1ccc(NC(=S)Nc2ccc(C)cn2)nc1 MOL0876
-Cc1ccnc(NC(=S)Nc2cc(C)ccn2)c1 MOL0877
-Cc1cccc(NC(=S)Nc2cccc(C)n2)n1 MOL0878
-Cc1cccnc1NC(=S)Nc1ncccc1C MOL0879
-N=C(N)Nc1ccccc1SSc1ccccc1NC(=N)N.O=S(=O)(O)O MOL0880
-N=C(N)NC(=N)Nc1cccc(S(=O)(=O)c2cccc(NC(=N)NC(=N)N)c2)c1 MOL0881
-N=C(N)NC(=N)Nc1ccc(Sc2ccc(NC(=N)NC(=N)N)cc2)cc1 MOL0882
-c1ccc(-c2cc(N3CCOCC3)c3ccccc3[o+]2)cc1 MOL0883
-C[N+](C)(C)CCCC#CC[N+]1(C)CCc2ccccc2C1 MOL0884
-C[N+](C)(C)CCC#CC[N+]1(C)CCCC1 MOL0885
-c1ccc(CNc2nnc(NCc3ccccc3)c3c2ncn3Cc2ccccc2)cc1 MOL0886
-S=C1NCCNC(=S)SSC(=S)SS1 MOL0887
-CCCCOC(=S)SSC(=S)NCCNC(=S)SSC(=S)OCCCC MOL0888
-CC(C)OC(=S)SSC(=S)NCCNC(=S)SSC(=S)OC(C)C MOL0889
-COC(=S)SSC(=S)NCCN(CCNC(=S)SSC(=S)OC)C(=S)SSC(=S)OC MOL0890
-CCOS(=O)(=O)O.CC[N+]1(C)CSC(=S)N(C)C1 MOL0891
-NC1CCCCCCC1 MOL0892
-CC(=O)Oc1c(Br)cc(-c2oc(-c3cc(Br)c(OC(C)=O)c(Br)c3)c3ccccc23)cc1Br MOL0893
-COc1cc2c(cc1Oc1c(Oc3c(O)c(OC)cc4c3C(CC(C)C)N(C)CC4)c(OC)cc3c1C(CC(C)C)N(C)CC3)C(CC(C)C)N(C)CC2 MOL0894
-Cc1ccc(S(=O)(=O)OCCOS(=O)(=O)c2ccc(C)cc2)cc1 MOL0895
-O=C1O[Cu-3]2(OC(=O)c3cccc[n+]32)[n+]2ccccc21 MOL0896
-CN1CCCC(C#N)(c2ccccc2)CC1 MOL0897
-O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl MOL0898
-COc1cccc(C2(C#N)CCN(C)CC2)c1 MOL0899
-COc1cc(OC)cc(C2(C#N)CCN(C)CC2)c1 MOL0900
-CCOC(=O)C1(c2ccc(O)c(O)c2)CCN(C)CC1 MOL0901
-COc1cc(C2(C#N)CCN(C)CC2)cc(OC)c1OC MOL0902
-CN1CCC2(CC1)OC(c1ccccc1)C(c1ccccc1)O2 MOL0903
-CCN1CCC2(CC1)OC(c1ccccc1)C(c1ccccc1)O2 MOL0904
-CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)C(=O)OCC MOL0905
-Cn1[nH]c(=O)ccc1=O MOL0906
-O=c1ccc(=O)n(-c2ccc(Br)cc2)[nH]1 MOL0907
-Cc1cc(Cl)c(=O)n(-c2ccccc2)n1 MOL0908
-O=c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL0909
-CCOC(=O)c1cnc2ccc(C)cn2c1=O MOL0910
-CC(C=CC1=C(C)CCCC1(C)C)=CC=C(C(=O)O)C(C)=CC(=O)O MOL0911
-CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC=NN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C MOL0912
-CSS(C)(=O)=O MOL0913
-COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1OC MOL0914
-COc1ccc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)C=C4)cc1OC MOL0915
-COc1ccc(N=Nc2c(N)n(C)[nH]c2=N)cc1 MOL0916
-c1cc2c(cc1-c1ccc3c(c1)N=[Se]=N3)N=[Se]=N2 MOL0917
-CCOC(=O)C1(CC)OC12CCCCC2 MOL0918
-CCCCC1(C(=O)OCC)OC12CCCCC2 MOL0919
-CC(Cc1ccccc1)NN(CS(=O)(=O)O)CS(=O)(=O)O MOL0920
-O=C(O)C1CC2=C(CN1)Cc1ccccc12 MOL0921
-C=C1C(=O)OC2CC3(C)OC3CCC(C)=CC(OC(C)=O)C12 MOL0922
-O=C(O)C1=C(C(=O)O)C2c3ccccc3C1c1ccccc12 MOL0923
-O=C(O)C1S[Bi](SC(C(=O)O)C(S[Bi]2SC(C(=O)O)C(C(=O)O)S2)C(=O)O)SC1C(=O)O MOL0924
-N=C1NC(=O)N[Cu-3]2(N1)NC(=N)NC(=O)N2 MOL0925
-CCC1N[Cu-3]2(NC(CC)C(=O)O2)OC1=O MOL0926
-CCCCN(CCCC)C1=[S+][Cu-3]2(S1)SC(N(CCCC)CCCC)=[S+]2 MOL0927
-CCCC[Sn](Cl)(CCCC)CCCC MOL0928
-Nc1nnc2c(n1)[nH]c1ccccc12 MOL0929
-Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1ccccc1C2=O MOL0930
-O=C(SC1=NCCS1)SC1=NCCS1 MOL0931
-O=S(=O)(O)OCCOc1ccc(S(=O)(=O)c2ccc(OCCOS(=O)(=O)O)cc2)cc1 MOL0932
-O=[n+]1[cH-]nc2ccccc2c1O MOL0933
-Cc1cc(O)c(C#N)c2c(C#N)c(=N)[nH]n12 MOL0934
-Nc1nc(-c2ccccc2)nc(N)c1N=O MOL0935
-Cc1cc(C)n2[nH]c(=N)c(C#N)c2c1C#N MOL0936
-O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12 MOL0937
-O=c1ccc(=O)n(-c2ccc(Cl)cc2)[nH]1 MOL0938
-CC1OC(OC2C(O)C(O)C(NC(=N)N)C(O)C2NC(=N)N)C(OC2OC(CO)C(O)C(O)C2N(C)N=O)C1(O)C=O MOL0939
-O=C(O)CCS(=O)(=O)O MOL0940
-COC(=O)CCC(C)C1CCC2C3CCC4CC5CCC4C3(CO5)C(=O)C(Br)C12C MOL0941
-Nc1nc(Cl)c2nc(Cl)[nH]c2n1 MOL0942
-S=C(Nc1ccc2c3c(cccc13)CC2)Nc1ccc2c3c(cccc13)CC2 MOL0943
-O=P(OCC1CCCO1)(OCC1CCCO1)OCC1CCCO1 MOL0944
-COCC(C)(COP(=O)(N1CCOCC1)N1CCOCC1)CC(C)COP(=O)(N1CCOCC1)N1CCOCC1 MOL0945
-CCCC1OP(=O)(N2CC(C)N(P3(=O)OCC(CC)C(CCC)O3)CC2C)OCC1CC MOL0946
-NN1C(=O)CSC1=S MOL0947
-ON=C(CSSCC(=NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL0948
-CC(C)(C)CS(=O)(=O)O MOL0949
-CCCCCCCCS(=O)(=O)O MOL0950
-NCC(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 MOL0951
-COc1ccc(C(C#N)=Cc2cccc(N)c2)cc1 MOL0952
-COc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1 MOL0953
-Oc1ccc(CCC2CCNc3ccccc32)cc1 MOL0954
-c1ccc2c(c1)CCN(NCCN1CCCC1)C2 MOL0955
-O=C(NNC(=S)S)c1ccncc1 MOL0956
-CCCOC(=O)c1ccc(N)cc1 MOL0957
-CC(C)COC(=O)c1ccc(N)cc1 MOL0958
-CC(=O)NC(CC(C)C(C)=O)C(=O)O MOL0959
-COC1OC(CO)C2OC12 MOL0960
-O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1 MOL0961
-O=C1OCCC1(Br)C(Br)c1ccccc1 MOL0962
-CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC(=O)O2 MOL0963
-N#CC1(c2ccccc2)CCN(Cc2ccccc2)CC1 MOL0964
-CCOC(=O)C1(c2ccccc2)CCN(CC(=O)c2ccccc2)CC1 MOL0965
-Cc1c(C(C)C2NCC(C)CC2O)ccc2c1CC1C2CC=C2CC(O)CCC21C MOL0966
-CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C MOL0967
-CC1OC(=O)C2CC3CCCCC3C(C=CC3CCCC(C)N3C)C12 MOL0968
-C=C(C)COC(=O)C1CC2OC2CC1C(=O)OCC(=C)C MOL0969
-C=C(C)COC(=O)C1C2CC(C3OC23)C1C(=O)OCC(=C)C MOL0970
-C=CCOC(=O)C1CC2OC2CC1C(=O)OCC=C MOL0971
-S=c1[nH]ccs1 MOL0972
-CCCCOP(=S)(OCCCC)SC1(SC)SSC=C1CC(C)(C)C MOL0973
-CC(C)(C)Cc1cssc1=S MOL0974
-CCOC(=O)C(CCCC#N)=NO MOL0975
-CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1 MOL0976
-C[N+](C)(C)c1cc2c(nn1)Nc1ccccc1S2 MOL0977
-COC1=CC(=O)C=C(OC)C1=O MOL0978
-CC(O)CCC(=O)NCCS(=O)(=O)O MOL0979
-CCCCCCCCCCCCCCCCN1CCCCCC1=O MOL0980
-COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1 MOL0981
-N=C1NCCS1 MOL0982
-CC1C(=O)NC(=O)CC(=O)NC1=O MOL0983
-Oc1on[n+]2c1Cc1ccccc1C2 MOL0984
-Oc1on[n+]2c1CSC2 MOL0985
-Oc1on[n+]2c1CCCC2 MOL0986
-COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O MOL0987
-COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC MOL0988
-COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC MOL0989
-N#CC(C#N)=C(C#N)C#N MOL0990
-Cc1c(Cl)c(=O)oc2cc(O)ccc12 MOL0991
-O=c1[nH]c2cc(Cl)c(Br)cc2o1 MOL0992
-CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 MOL0993
-O=C(CCBr)N1CCN(C(=O)CCBr)CC1 MOL0994
-CCN(CC)CCN1C(=O)c2cccc3cccc(c23)C1=O MOL0995
-Cc1ccccc1C(=O)c1ccccc1C(=O)O MOL0996
-O=C1OC(=O)C2=C1C1c3ccccc3C2c2ccccc21 MOL0997
-O=C(O)C1C2c3ccccc3C(O)C1(C(=O)O)c1ccccc12 MOL0998
-Oc1cc2c(nn1)CCCC2 MOL0999
-N=c1nn[nH]n1-c1ccccc1 MOL1000
-Cc1ccc([B-2]2(c3ccc(C)cc3)=NCCO2)cc1 MOL1001
-CC(O)(c1ccccc1)c1nccc2ccccc12 MOL1002
-CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C MOL1003
-O=C(O)C=CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C=CC(=O)O)cc2)cc1 MOL1004
-O=S1OCC2(CO1)COS(=O)OC2 MOL1005
-CNc1ncnc2[nH]c(OC)nc12 MOL1006
-NNC(=O)CCc1c[nH]c2ccccc12 MOL1007
-NS(=O)(=O)c1cc2c(cc1Cl)=NC=NS=2(=O)O MOL1008
-Cc1ccccc1-c1nc2ccc(N)nc2nc1N MOL1009
-COc1ccc(C)cc1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] MOL1010
-O=C(O)C1CSCN1 MOL1011
-CCCC=[N+]1CCOC(=S)S[Zn-2]12SC(=S)OCC[N+]2=CCCC MOL1012
-O=C(O)CCCCCCC(=O)O MOL1013
-NCCCCCC(=O)O MOL1014
-O=S(Cc1ccccc1)OOCCCCOS(=O)OCc1ccccc1 MOL1015
-CC(C)(O)S(=O)(=O)O MOL1016
-C=CN1CCCC1=O.II MOL1017
-CC(CO)S(=O)(=O)O MOL1018
-Cc1c(N=Nc2cc(N=Nc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)c(N)cc2N)cccc1S(=O)(=O)O MOL1019
-C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1 MOL1020
-O=C(Nc1ccccc1)C(O)C(O)C(=O)Nc1ccccc1 MOL1021
-O=P1(N(CCCl)CCCl)NCCCO1 MOL1022
-CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O MOL1023
-CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O MOL1024
-S=C1SSC(=S)SS1 MOL1025
-N=C1N(c2ccccc2)C(N)(N)SSC(N)(N)N1c1ccccc1 MOL1026
-O=C1c2ccccc2C(=O)c2c1nnn2-c1ccccc1 MOL1027
-O=S1(=O)Oc2cccc3cccc1c23 MOL1028
-C1N2CN3CN1CN(C2)C3 MOL1029
-O=c1ccc2cc(O)c(O)cc2o1 MOL1030
-O=C(O)c1cccc2c(=O)c3ccccc3oc12 MOL1031
-CCc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CCC2C MOL1032
-Cc1nc(Cl)c(Cl)c(Cl)n1 MOL1033
-Cc1nc(O)nc(O)c1Cl MOL1034
-O=C1C=CC(=O)c2c(O)ccc(O)c21 MOL1035
-C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4C(=O)OC)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C3C MOL1036
-Nc1nnc(N)c2[nH]cnc12 MOL1037
-CSc1nnc(SC)c2[nH]cnc12 MOL1038
-CCC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Zn-2]31n3c(c(C)c(CC)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C MOL1039
-O=c1cc(-c2ccccc2)oc2ccc(O)cc12 MOL1040
-O=c1cc(-c2ccccc2)oc2cccc(O)c12 MOL1041
-CCN(CC)CCOC(=O)OCCCCOC(=O)OCCN(CC)CC MOL1042
-O=C(O)CNC(=O)OCCCCOC(=O)NCC(=O)O MOL1043
-O=S1(=O)CCC(OC2CCS(=O)(=O)C2)C1 MOL1044
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12 MOL1045
-CC1=NN(c2ccccc2)C(=O)C1=C1C(=O)N(c2ccccc2)N=C1C MOL1046
-CC(C)CCCC(C)N MOL1047
-CC(=O)Oc1ccccc1C(=O)O MOL1048
-C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C MOL1049
-NNC(=S)SSC(=S)NN MOL1050
-CCCCN1C(=O)c2cccc3cccc(c23)C1=O MOL1051
-O=C(O)CSC(=S)NCCNC(=S)SCC(=O)O MOL1052
-O=C(OCCN1CCCC12CCCCC2)C(c1ccccc1)C1C=CCC1 MOL1053
-CN(C)C(=O)C(CC[N+]1(C)CCCC12CCCCC2)(c1ccccc1)c1ccccc1 MOL1054
-CCCCC(CCCCCC(CCCC)C1NC(C)Cc2cc(OC)c(OC)cc21)C1NC(C)Cc2cc(OC)c(OC)cc21 MOL1055
-O=C1CCC2N[Cu-2](O1)OC2=O MOL1056
-NCCCCC1N[Zn-2]2(NC(CCC(N)=O)C(=O)O2)OC1=O MOL1057
-COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C MOL1058
-COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C MOL1059
-CCCCCCCCSc1ncnc2[nH]ncc12 MOL1060
-CCC(C)C(CC)C(=O)NC(N)=O MOL1061
-CCC(C)C(CC)(C(=O)O)C(=O)O MOL1062
-O=c1c2ccccc2oc2cc(Br)ccc12 MOL1063
-NC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 MOL1064
-C1=CC=CC2OC2C=C1 MOL1065
-CC12CC(Br)C(=O)C=C1CCC1C2CCC2(C)C(C(=O)CBr)CCC12 MOL1066
-CCC(=O)C1(c2cccc(OC)c2)CCN(C)CC1 MOL1067
-C1CC[N+]2(C1)CC[N+]1(CCCC1)CC2 MOL1068
-Cn1c(=O)c2nc(NCc3ccccc3)sc2n(C)c1=O MOL1069
-Cn1c(=O)c2nc(NCC3CCCCC3)sc2n(C)c1=O MOL1070
-COc1cc(OC)cc(C2(C(=O)O)CCN(C)CC2)c1 MOL1071
-CC[N+]1(CC)CC[N+]2(CCCC(C)CC2)CC1 MOL1072
-O=S(=O)(O)C(I)(I)S(=O)(=O)O MOL1073
-NC(=O)CSSCC(N)=O MOL1074
-O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(N2N=N2)c1)c1ccccc1 MOL1075
-CCCCCCCCCCCCS(=O)(=O)O MOL1076
-O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1 MOL1077
-CC1CSS(=O)O1 MOL1078
-O=c1ccc(=O)n(CO)[nH]1 MOL1079
-c1ccc2c(c1)nnn2CN1CCOCC1 MOL1080
-CN(C)CCOCn1nnc2ccccc21 MOL1081
-CCCCCCCCCCn1nnc2c(O)nc(N)nc21 MOL1082
-O=c1ssc(Cl)c1-c1ccccc1 MOL1083
-Cn1c2c(sc1=O)CCC2 MOL1084
-N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O MOL1085
-ClCC=CC[N+]12CN3CN(CN(C3)C1)C2 MOL1086
-C1CC2N=C3OCCC3N=C2O1 MOL1087
-CC1(C)OC(=O)NC1=O MOL1088
-Cc1cc(NCCCCCCNc2cc(C)nc3ccc(Cl)cc23)c2cc(Cl)ccc2n1 MOL1089
-O=C(NCc1ccccc1)OCCO MOL1090
-OCCN(CC(O)C(O)CN(CCO)C(=S)S)C(=S)S MOL1091
-CN(CC(O)C(O)CN(C)C(=S)S)C(=S)S MOL1092
-Cc1ccc(N2COc3ccc4ccccc4c3C2)cc1 MOL1093
-CCOC(=O)CC(SP1(=S)OCC2(CC=CCC2)CO1)C(=O)OCC MOL1094
-CCC1(CC)COP(=S)(SCCOC(=O)c2ccccc2)OC1 MOL1095
-CC(C)(c1ccc(OP2(=O)OCC3(CC=CCC3)CO2)cc1)c1ccc(OP2(=O)OCC3(CC=CCC3)CO2)cc1 MOL1096
-O=C(O)CCCCSCCCCC(=O)O MOL1097
-COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C MOL1098
-c1ccc(SCN2CCN(CSc3ccccc3)CC2)cc1 MOL1099
-CN(C)c1ccc(C(=S)c2ccc(N(C)C)cc2)cc1 MOL1100
-CNP(=O)(NC)NC MOL1101
-O=C1C=C(N2CC2)C(=O)C=C1N1CC1 MOL1102
-C=CCOP1(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=N1 MOL1103
-OCc1nc(O)cc(O)n1 MOL1104
-CC1C(=O)NC(=O)NC1=O MOL1105
-O=c1c2ccccc2oc2c(Cl)cc(Cl)cc12 MOL1106
-O=C(O)C1OC12CCCCC2 MOL1107
-COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3O2)cc1O MOL1108
-O=C1NC(=S)SC1=Cc1cccs1 MOL1109
-CC(N)C(=O)NC1C(C)OC(=O)C2=C(O)CC(O)C(O)C21 MOL1110
-O=C1NC(=S)SC1=Cc1ccc(Cl)cc1 MOL1111
-Cl[Hg]Cl.O=c1c2ccccc2oc2ccccc12 MOL1112
-O=C1NC(=S)SC1=Cc1ccco1 MOL1113
-Cc1cc2oc3ccccc3c(=O)c2c(C)c1Cl MOL1114
-O=c1c2ccc(Cl)cc2oc2ccc(Cl)cc12 MOL1115
-O=C1C(c2ccc3ccccc3n2)=C(O)c2ccccc21 MOL1116
-CC(=O)Nc1ncc([N+](=O)[O-])s1 MOL1117
-Nc1ccc(I)cn1 MOL1118
-CC(=O)c1cc2ccccc2oc1=O MOL1119
-CCCCCCCCCCCCCCCCCC(=O)OCCO MOL1120
-O=[N+]([O-])OCCOc1ccc([As](=O)(O)O)cc1[N+](=O)[O-] MOL1121
-CCCCCc1cc(O)cc2c1Oc1cc(O)cc(C(=O)CCCC)c1C(=O)O2 MOL1122
-COc1cc2oc(=O)ccc2cc1CC=C(C)C MOL1123
-COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1 MOL1124
-COc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2OC)cc1 MOL1125
-O=NC1C2C=CC(C2)C1Cl MOL1126
-O=NC1C(Cl)C2CC1C1COCC21 MOL1127
-Cc1ccc(SC2CC3CC2C2COCC32)cc1 MOL1128
-CCCCCC[N+]1(C)CC2C3C=CC(C3)C2C1 MOL1129
-Clc1ccc(SSc2ccc(Cl)cc2)cc1 MOL1130
-NC(=O)NO MOL1131
-O=C1CSC(=S)N1c1ccc(Cl)cc1 MOL1132
-CCCCCCc1cc2c(O)c(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)c(=O)oc2cc1O MOL1133
-O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl MOL1134
-CCC(C)C(CC)C(N)=O MOL1135
-NCCS(=O)(=O)O MOL1136
-Cc1cc(O)c(C(C)C)cc1NC(=O)Nc1cccc2ccccc12 MOL1137
-O=c1c2cc([N+](=O)[O-])ccc2oc2ccc([N+](=O)[O-])cc12 MOL1138
-N#CC(=Cc1ccccc1)c1ccc(Cl)cc1 MOL1139
-CCOC(=O)c1ccc(C(C#N)=Cc2ccc(Cl)cc2)cc1 MOL1140
-CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 MOL1141
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc21 MOL1142
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-Oc1ccc(Cl)cc1-c1nc2ccccc2s1 MOL1146
-Oc1ccc(-c2nc3ccccc3s2)c(O)c1 MOL1147
-O=C1NC2(CCCCC2)OC12CCCCC2 MOL1148
-CCOC(=O)NC(O)C(Cl)(Cl)Cl MOL1149
-C[N+](C)(CCCCCC[N+](C)(C)CC(=O)O)CC(=O)O MOL1150
-COC1Cc2ccccc2C1O MOL1151
-N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1 MOL1152
-O=C1CCSC2=NCCN12 MOL1153
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-O=S(c1ccc(Cl)cc1)S(=O)c1ccc(Cl)cc1 MOL1155
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-O=C1CC(c2ccccc2)=NO1 MOL1157
-O=C1ON=C(c2ccccc2)C1=NO MOL1158
-CCOC(=O)C(=NO)C(=O)CC(C)C MOL1159
-N#CCCCC(=NO)C(=O)OCc1ccccc1 MOL1160
-O=C(NN1CCOC1=O)OCCCl MOL1161
-CCOP(=S)(S)OCC.C[S+]=c1cc(-c2ccccc2)ss1 MOL1162
-O=c1cc(-c2ccccc2)ss1 MOL1163
-c1csc(-c2nc3sc(-c4cccs4)nc3s2)c1 MOL1164
-Nc1ccc(-c2nc3sc(-c4ccc(N)cc4)nc3s2)cc1 MOL1165
-COc1cc(-c2nc3sc(-c4ccc(O)c(OC)c4)nc3s2)ccc1O MOL1166
-COc1ccc(-c2nc3sc(-c4ccc(OC)c(OC)c4)nc3s2)cc1OC MOL1167
-CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1 MOL1168
-O=[N+]([O-])c1ccc(C=Cc2ccc(N=Nc3ccc(C=Cc4ccc([N+](=O)[O-])cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL1169
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21 MOL1170
-N=C(N)N=NC(=N)N.O=[N+]([O-])O MOL1171
-O=C(O)CCc1ccc(NC(=O)CN(CCO)CCO)cc1 MOL1172
-Clc1ccc(C2=CSC3=NCCN23)cc1 MOL1173
-COc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O MOL1174
-O=C(NN=CC=Cc1ccccc1)c1ccncc1 MOL1175
-O=C1OC(C(O)CO)C(O)=C1O MOL1176
-CCCC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 MOL1177
-CCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 MOL1178
-CCN(CC)CC(=O)Nc1c(C)ccc(N)c1C MOL1179
-CCN(CC)CC(=O)Nc1c(C)cc(C(=O)NN)cc1C MOL1180
-Nc1ccc(S(=O)(=O)NC(CSSCC(NS(=O)(=O)c2ccc(N)cc2)C(=O)O)C(=O)O)cc1 MOL1181
-CC1CN(Cc2ccccc2)C(=N)S1 MOL1182
-CC1C(c2ccccc2)SC(=N)N1C MOL1183
-O=S(=O)(O)c1cc2c(c(S(=O)(=O)O)c1)O[Sb]1([Na])(O2)Oc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2O1 MOL1184
-O=S(=O)(c1ccc(NCSc2nc3ccccc3s2)cc1)c1ccc(NCSc2nc3ccccc3s2)cc1 MOL1185
-O=C(O)CN(CC[N+]12CC[N+]3(CC(=O)O)CC(=O)O[Ca-2]13OC(=O)C2)CC(=O)O MOL1186
-O=S(=O)(O)C(O)CCCC(O)S(=O)(=O)O MOL1187
-COc1ccc2c(c1)C(O)C(CO)C(C(=O)O)C2 MOL1188
-O=C(O)c1nc2sc(C(=O)O)nc2s1 MOL1189
-c1cncc(-c2nc3sc(-c4cccnc4)nc3s2)c1 MOL1190
-c1ccc(-c2nc3sc(-c4ccccn4)nc3s2)nc1 MOL1191
-c1cc(-c2nc3sc(-c4ccncc4)nc3s2)ccn1 MOL1192
-Cc1cccc(-c2nc3sc(-c4cccc(C)n4)nc3s2)n1 MOL1193
-CC(C)(CCC#N)c1nc2sc(C(C)(C)CCC#N)nc2s1 MOL1194
-CC(CCC(C)OS(=O)(=O)c1ccc(F)cc1)OS(=O)(=O)c1ccc(F)cc1 MOL1195
-OCC(O)C(O)C(O)c1nc2ccccc2s1 MOL1196
-OCC(O)C(O)C(O)C(O)c1nc2ccccc2s1 MOL1197
-C1C2OC2C2C1C1CC2C2OC12 MOL1198
-CC(=O)N(C(C)=O)c1nc2c(c(=O)n(C)c(=O)n2C)n1C MOL1199
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO MOL1200
-Cc1cc(=O)oc(C)c1C(=O)O MOL1201
-[O-][n+]1c2ccccc2[n+]([O-])c2c3ccccc3[nH]c21 MOL1202
-NCc1ccc(S(N)(=O)=O)cc1 MOL1203
-CCC1(c2ccccc2)NC(=O)N(C)C1=O MOL1204
-CCOC(=O)C1Cc2cc(C)c(C)cc2N(C)C1=O MOL1205
-COC(=O)C1C(=O)N(C)c2cc(C)c(C)cc2C1(C)C MOL1206
-CSC(=Nc1cc2ccccc2c2ccccc12)NC#N MOL1207
-Oc1cc2[nH]cnc2c(O)n1 MOL1208
-O=S(=O)(O)C1=C2Sc3ccccc3N=C2c2ccccc2C1 MOL1209
-C=C(CN(C)C)C(=O)c1ccccc1[N+](=O)[O-] MOL1210
-O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 MOL1211
-O=C(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1O MOL1212
-O=S(=O)(O)c1cc(N=Nc2ccc(O)c3ccccc23)ccc1C=Cc1ccc(N=Nc2ccc(O)c3ccccc23)cc1S(=O)(=O)O MOL1213
-O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)ccc1C=Cc1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O MOL1214
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1S(=O)(=O)O MOL1215
-O=C(O)c1cc2ccccc2c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(O)c(C(=O)O)cc5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O MOL1216
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1 MOL1217
-COc1ccc(CCNC=O)cc1OC MOL1218
-CCOC1NC(=O)NC(=O)C1(C)Cl MOL1219
-O=C1c2cccc3cccc(c23)C(=O)N1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL1220
-Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C MOL1221
-COc1cc(C2OCC3C(c4ccc(O)c(OC)c4)OCC23)ccc1O MOL1222
-CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL1223
-O=C1NC2(NC(=O)C1=O)Nc1ccccc1S2 MOL1224
-C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.O=[N+]([O-])O MOL1225
-O=S(=O)(O)c1ccc2c(c1)Sc1cc(S(=O)(=O)O)ccc1O2 MOL1226
-CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL1227
-O=C(O)CC1Sc2ccccc2NC1=O MOL1228
-c1ccc2[nH]c(SSc3nc4ccccc4[nH]3)nc2c1 MOL1229
-CC(O)CN(CC(C)O)N(CC(C)O)CC(C)O MOL1230
-Cc1ccc2cc1NC(=O)N1CCN(CC1)C(=O)Nc1cc(ccc1C)NC(=O)N1CCN(CC1)C(=O)N2 MOL1231
-O=C1Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)N2CCN(CC2)C(=O)Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)N2CCN1CC2 MOL1232
-O=S1(=O)CCN(c2ccccc2CC(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)CC1 MOL1233
-O=S(=O)(OCCSS(=O)(=O)c1ccccc1)c1ccccc1 MOL1234
-O=S(=O)(SCCO)c1ccccc1 MOL1235
-CC1=C(CO)C2=[N+]3C1=Cc1c(CO)c(C)c4n1[Fe-3]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL1236
-CCN(CC)CC(O)CN(CC(=O)Nc1c(C)cccc1C)CC(C)C MOL1237
-Cc1cccc(C)c1NC(=O)CN(CC(C)C)CC(O)COc1ccccc1 MOL1238
-CCCN(CCC)CC(=O)Nc1cccc(Cl)c1C MOL1239
-CCN(CC)C(C(=O)Nc1c(C)cccc1C)N(CC)CC MOL1240
-Cc1ccc(S(=O)(=O)OCC2COC(C)(C)O2)cc1 MOL1241
-C=CCCCCCCCCCC(C(=O)O)C(=O)O MOL1242
-O=C(Nc1ccccn1)Nc1ccccn1 MOL1243
-Cc1ccc(O)cc1C(=O)O MOL1244
-CC1=Nc2ccccc2NC(=O)C1 MOL1245
-CC1CC(=O)Nc2ccccc2N1 MOL1246
-COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N)CC2.O=C(O)C(O)C(O)C(=O)O MOL1247
-CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O MOL1248
-COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)C3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1C(C2)[N+](C)(C)CC3 MOL1249
-O=C1c2cc(O)c(O)cc2OC(c2ccc(O)c(O)c2)C1O MOL1250
-COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2 MOL1251
-Oc1ncc(CN2CCOCC2)c(O)n1 MOL1252
-Cc1nc(O)nc(O)c1CN1CCCCC1 MOL1253
-CC12CCC(C3NC(=S)NN=C31)C2(C)C MOL1254
-OC1CC2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5 MOL1255
-O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 MOL1256
-CC1CN2SN1CC2C MOL1257
-O=C(O)CS[Bi](SCC(=O)O)SCC(=O)O MOL1258
-CCOC(=O)Cc1cc(=O)[nH]n(-c2ccccc2)c1=O MOL1259
-O=C(C[n+]1ccncc1)c1ccc2c(c1)CCCC2 MOL1260
-COc1cc(C2CC3(C)OC(=O)C2CC3C)cc(OC)c1OC MOL1261
-N#[N+]c1nc2c(O)ncnc2[nH]1 MOL1262
-O=S(=O)(O)c1cc(N=[N+]([O-])c2cc(S(=O)(=O)O)c3ccccc3c2)cc2ccccc12 MOL1263
-O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)ccc2c1 MOL1264
-O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1 MOL1265
-CC(=O)Nc1cccc2cc(S(=O)(=O)O)ccc12 MOL1266
-CC(=O)Nc1ccc(N)c2cc(S(=O)(=O)O)ccc12 MOL1267
-CCOC(=O)NP(=O)(N1CC1)N1CC1 MOL1268
-O=C(NP(=O)(N1CC1)N1CC1)OCc1ccccc1 MOL1269
-O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL1270
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-CCN(CC)CC(=O)N(CC)c1ccc(C)c(Cl)c1 MOL1272
-CCN(CC)CC(=O)Nc1ccc(Cc2ccc(NC(=O)CN(CC)CC)cc2)cc1 MOL1273
-CCN(CC)CC(=O)Nc1cc(Cl)ccc1OC MOL1274
-COc1ccc2c(=O)c3ccccc3oc2c1 MOL1275
-O=S(=O)(Oc1ccccn1)c1ccc(Br)cc1 MOL1276
-OC1(c2ccccc2)CC(c2ccccc2)c2ccccc2O1 MOL1277
-COc1ccc(C2CC(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3O2)cc1OC(C)=O MOL1278
-OC1(c2ccccc2)Oc2ccccc2C(c2ccccc2)C1c1ccccc1 MOL1279
-O=C(O)C=CC=CC=CC=CC(=O)O MOL1280
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-O=S(=O)(O)c1ccc(NNc2ccc(S(=O)(=O)O)cc2)cc1 MOL1282
-O=C1c2ccccc2C(=O)c2c(S)cccc21 MOL1283
-O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2cc(S(=O)(=O)O)ccc21 MOL1284
-Cc1ccc2c(c1S)C(=O)c1ccccc1C2=O MOL1285
-CC(=O)OCC=C(C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL1286
-C#CC1(O)CCC2C3CCC4=CCCCC4C3CCC21C MOL1287
-O=C1OCCN1c1ccccc1 MOL1288
-CCN(CC)CCOc1ccc2c(c1O)C(=O)c1ccccc1C2=O MOL1289
-Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)cc2)cc1 MOL1290
-CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO MOL1291
-C=CCOc1c(C)cc(C#N)cc1C MOL1292
-CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C MOL1293
-N#Cc1ccc(SSc2ccc(C#N)cc2)cc1 MOL1294
-Nc1cc(C(=O)O)ccc1SSc1ccc(C(=O)O)cc1N MOL1295
-O=C(CCl)Nc1ccc(SSc2ccc(NC(=O)CCl)cc2)cc1 MOL1296
-O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1 MOL1297
-c1ccc(Cc2ccc(SSc3ccc(Cc4ccccc4)cc3)cc2)cc1 MOL1298
-Cn1cnc([N+](=O)[O-])c1S MOL1299
-Cn1cnc([N+](=O)[O-])c1SSc1c([N+](=O)[O-])ncn1C MOL1300
-C=CCC(CCC(CC=C)C(=O)O)C(=O)O MOL1301
-CCOC(=O)C(CC(CO)(C(C)=O)C(=O)OCC)C(C)=O MOL1302
-CCCCCCCCCCCCOC(=N)N(C)C MOL1303
-CCCC(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C MOL1304
-CCCCN(CCCC)C(=N)OC MOL1305
-CCCC(C)C(=N)Nc1ccc(Cl)c(Cl)c1 MOL1306
-CN(C)C(=N)OCc1ccccc1 MOL1307
-CC(C)C(=N)Nc1ccc(Cl)c(Cl)c1 MOL1308
-CCOC(=N)N1CCCCC1 MOL1309
-C=C(C)CN(CC(=C)C)C(=N)OCC1CCCO1 MOL1310
-CCCCOC(=Nc1ccccc1)N(c1ccccc1)c1ccccc1 MOL1311
-CN(C)NP(=O)(NN(C)C)NN(C)C MOL1312
-CC(C#N)N(C(C)C#N)N(C)C MOL1313
-CC(O)CN(N)CC(C)O MOL1314
-CN(C)N(CCO)CCO MOL1315
-NN1CCOC1=O MOL1316
-CN(C)N1CCOC1=O MOL1317
-CC(CO)NNC(C)CO MOL1318
-C1CN(N=NN2CCOCC2)CCO1 MOL1319
-O=C1OCCN1N1CCOC1=O MOL1320
-OCCNNCCO MOL1321
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-COc1cc2nncc(Cl)c2cc1OC MOL1323
-CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1 MOL1324
-CCN(CC)CCNc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 MOL1325
-Cc1nc(O)nc(O)c1Cc1ccc(Cl)cc1 MOL1326
-CN(C)Cc1cc(O)c(CN(C)C)cc1O MOL1327
-OCCN(CCO)c1nc(N(CCO)CCO)nc(N(CCO)CCO)n1 MOL1328
-Clc1ccc(NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 MOL1329
-N#CSC1=C(SC#N)C(=O)c2ccccc2C1=O MOL1330
-O=C(Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 MOL1331
-CN(C)C(=O)COc1ccc(Cl)cc1Cl MOL1332
-C=CCNC(=S)Nc1ccc(Cl)cc1 MOL1333
-O=C(Nc1ccc(Cl)cc1)NC(O)C(Cl)(Cl)Cl MOL1334
-N=C(N)Oc1ccc(Cl)cc1 MOL1335
-CN(C)CC1CCCC(CN2CCCCC2)C1=O MOL1336
-O=C1C(CN2CCOCC2)CCCC1CN1CCOCC1 MOL1337
-O=C1C(CN(Cc2ccccc2)Cc2ccccc2)CCCC1CN(Cc1ccccc1)Cc1ccccc1 MOL1338
-O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 MOL1339
-NC(=O)C(O)C(O)C(N)=O MOL1340
-CC(=O)Nc1ccc(S2=Nc3ccccc3S2)cc1 MOL1341
-Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1 MOL1342
-CC1CCCCC12NC(=O)NC2=O MOL1343
-C#CC(O)c1ccc(OC)c(OC)c1 MOL1344
-Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2[nH]cnc12 MOL1345
-O=C(O)CCCCCCCC(O)C(O)CCCCCCCC(=O)O MOL1346
-Cc1c(Cc2ccc(Cl)cc2)c(=O)[nH]c(=O)n1C MOL1347
-Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12 MOL1348
-O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 MOL1349
-O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1 MOL1350
-O=C1C(CN2CCCCC2)CCCC1CN1CCCCC1 MOL1351
-COc1ccc(C2CC(=O)c3cc(OC)ccc3O2)cc1 MOL1352
-Oc1cc(O)c2c(ccc3ccccc32)n1 MOL1353
-Nc1ccc(S(=O)(=O)C(=O)O)cc1 MOL1354
-CSc1cnnc2ccccc12 MOL1355
-COc1cc2nncc(SC)c2cc1OC MOL1356
-CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Mn]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL1357
-CC1=CC2=[N+]3C1=Cc1cc(C)c4n1[Co-2]31n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL1358
-CCN(CC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 MOL1359
-CCCCOC(=O)c1ccc(NC(=O)C(C)N(CC)CC)cc1 MOL1360
-CCN(CC)CC(=O)Nc1ccc(C)c(Cl)c1 MOL1361
-CCN(CC)CC(=O)Nc1cccc(Cl)c1 MOL1362
-CCN(CC)CC(=O)Nc1cc(Cl)ccc1C MOL1363
-CCN(CC)CCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1 MOL1364
-CNC(=O)Oc1ccc(Cl)cc1SSc1cc(Cl)ccc1OC(=O)NC MOL1365
-O=S(=O)(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL1366
-Oc1c(Cl)cccc1SSc1cccc(Cl)c1O MOL1367
-CNC(=O)Oc1c(Cl)cccc1SSc1cccc(Cl)c1OC(=O)NC MOL1368
-CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 MOL1369
-NCS(=O)(=O)O MOL1370
-Nc1ccc(S(=O)(=O)c2ccc(NCNC(CSSCC(NCNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)C(=O)O)C(=O)O)cc2)cc1 MOL1371
-Nc1c(Br)cc2snc3c2c1C(=O)c1ccccc1-3 MOL1372
-Nc1ccc2[se]nc3c2c1C(=O)c1ccccc1-3 MOL1373
-Nc1c(S)cc(O)c2c1C(=O)c1ccccc1C2=O MOL1374
-Cc1ccc2c3c(nsc13)-c1ccccc1C2=O MOL1375
-Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccc4c5c(nsc35)-c3ccccc3C4=O)c1C2=O MOL1376
-O=C1c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c2C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c21 MOL1377
-O=C1c2ccc(S(=O)(=O)O)c(O)c2C(=O)c2ccc(S(=O)(=O)O)c(O)c21 MOL1378
-O=C(O)c1ccc2c3c(n[se]c13)-c1ccccc1C2=O MOL1379
-Cn1c(=O)cc(O)c2ccccc21 MOL1380
-CSc1nnc2sc(=S)[nH]n12 MOL1381
-CCCCCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 MOL1382
-CCCCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1 MOL1383
-CCOC(=O)c1ccccc1NC(=O)CN(CC)CC MOL1384
-CCN(CC)CC(=O)Nc1cccc(C(=O)OC(C)C)c1 MOL1385
-CCCCCOC(=O)c1cccc(NC(=O)CN(CC)CC)c1 MOL1386
-CCN(CC)CC(=O)Nc1cc(C)ccc1Cl MOL1387
-Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 MOL1388
-CN(C)CCS(=O)(=O)O MOL1389
-CCCCC(CC)CN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCC(CC)CCCC)c4c3O)c(O)c12 MOL1390
-Cc1cc2c(C(C)C)c(O)c(O)c(C=NCCc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NCCc3ccccc3)c2c1O MOL1391
-CCN(CC)CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCN(CC)CC)c4c3O)c(O)c12 MOL1392
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(C(=O)NCC(=O)O)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(C(=O)NCC(=O)O)cc3)c2c1O MOL1393
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(N=Nc4ccccc4)cc3)c2c1O MOL1394
-COc1cc2c(OC)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(C)C)c1OC MOL1395
-O=C(Oc1ccccc1)N(CCO)C(c1ccccc1)C(O)c1ccccc1 MOL1396
-O=C1C(Cl)=C(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)C(=O)c2ccccc21 MOL1397
-O=C(O)CN1C(=O)CSC1=S MOL1398
-Cc1ccc(-c2cssc2=S)cc1 MOL1399
-Clc1ccc([S+](c2ccc(Cl)cc2)C(Cl)(Cl)C(Cl)(Cl)Cl)cc1 MOL1400
-CS(=O)(=O)Sc1ccc(Cl)cc1 MOL1401
-Cc1ccc(NC=O)cc1F MOL1402
-Clc1ncc(Cl)c(Cl)n1 MOL1403
-O=C(O)c1cc2ccccc2c(S(=O)(=O)O)c1O MOL1404
-O=C(O)c1cc2cccc(S(=O)(=O)O)c2cc1O MOL1405
-O=C(O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1 MOL1406
-Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O MOL1407
-OC1COC2C(O)COC12 MOL1408
-O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(S)c([N+](=O)[O-])c2)ccc1S MOL1409
-O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)ccc1N(CCO)CCO MOL1410
-O=C=Nc1cccc(S(=O)(=O)c2cccc(N=C=O)c2)c1 MOL1411
-O=C=Nc1cc(S(=O)(=O)c2ccc(Cl)c(N=C=O)c2)ccc1Cl MOL1412
-CCOP(=O)(Nc1nccs1)c1ccc(N)cc1 MOL1413
-O=c1oc2ccccc2c(O)c1Sc1c(O)c2ccccc2oc1=O MOL1414
-NS(=O)(=O)c1c(O)c2ccccc2oc1=O MOL1415
-CC(CC(N)C(=O)O)C(=O)O MOL1416
-CC(CC(=O)O)C(N)C(=O)O MOL1417
-CC(=O)NC(C(=O)O)(C(=O)O)C(C)CC(=O)O MOL1418
-CC(=O)NC(CCC(=O)c1ccc(Cl)cc1)(C(=O)O)C(=O)O MOL1419
-O=[As]c1ccc(C(=O)O)cc1 MOL1420
-CCCCN(CCCC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 MOL1421
-CCCCCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1 MOL1422
-CC(C)CN(CC(=O)Nc1cccc(Cl)c1)CC(C)C MOL1423
-CCN(CC)CC(=O)Nc1ccccc1C MOL1424
-CCN(CC)CC(=O)Nc1cc(NC(=O)CN(CC)CC)c(C)c(NC(=O)CN(CC)CC)c1 MOL1425
-Cc1c(Cl)cccc1NC(=O)CN(CC(C)C)CC(C)C MOL1426
-CCOCC(CN(CC)CC)N(CC)CC(=O)Nc1c(C)cccc1C MOL1427
-CCN(CC)C(C)C(=O)Nc1cccc(Cl)c1C MOL1428
-CN1CSCSC1 MOL1429
-S=c1sscc1-c1ccccc1 MOL1430
-N#CNC(=N)NC(=O)c1ccccc1 MOL1431
-Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 MOL1432
-CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 MOL1433
-O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O MOL1434
-S=C1CC(=S)NC(=S)N1 MOL1435
-CCOC(=O)Nc1nc2ccccc2[nH]1 MOL1436
-O=[N+]([O-])c1ccc(N2CCOS(=O)OCC2)cc1 MOL1437
-CC(C)N=C=NC(C)C MOL1438
-O=[As]1(c2ccccc2)c2ccccc2Oc2ccccc21 MOL1439
-NC(CCSCCSCCC(N)C(=O)O)C(=O)O MOL1440
-CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.O=S(=O)(O)O MOL1441
-O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1 MOL1442
-CC1CC(C)(C)NC2(CCCC2)N1 MOL1443
-Cc1cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c1O MOL1444
-COc1cc2c(nn1)CCCC2 MOL1445
-O=c1c2ccccc2oc2cc(C(O)c3ccccc3)ccc12 MOL1446
-CCNc1nc2c(=O)n(C)c(=O)n(C)c2s1 MOL1447
-Oc1cc(-c2ccccc2)nc(S)n1 MOL1448
-Cc1cccc(CC(=O)c2ccccc2)n1 MOL1449
-Cc1cccnc1CC(O)c1ccccc1 MOL1450
-N#CC(=C(c1ccccc1)c1ccccc1)c1ccccc1 MOL1451
-CN1C(=O)CSC1=S MOL1452
-O=C(CS)Nc1cccc(O)c1 MOL1453
-COc1ccc(C(C)=NN)cc1 MOL1454
-c1ccc(N=Nc2ccccn2)nc1 MOL1455
-NN=C(c1ccccc1)c1cccs1 MOL1456
-O=C(C=Cc1ccccc1)c1ccc(Cl)s1 MOL1457
-O=C(O)c1ccc(Sc2ccccc2)cc1 MOL1458
-O=C(O)c1cccc(S(=O)(=O)c2ccccc2)c1 MOL1459
-NN=C(c1ccccc1)c1cccc([N+](=O)[O-])c1 MOL1460
-NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL1461
-O=[N+]([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1 MOL1462
-Cc1ccc(C(=O)C=Cc2ccccc2)s1 MOL1463
-COc1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 MOL1464
-Cc1ccc2c(c1)S(=O)c1cc(C)ccc1S2 MOL1465
-NN=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 MOL1466
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1 MOL1467
-O=C(O)c1ccc(C(=O)O)c(C(=O)c2cc(C(=O)O)ccc2C(=O)O)c1 MOL1468
-CN(C)c1ccc(C(=NN)c2ccccc2)cc1 MOL1469
-O=[N+]([O-])C1=C(c2ccccc2)SC(Br)=C(c2ccccc2)S1 MOL1470
-O=[N+]([O-])C1=C(c2ccccc2)SC=C(c2ccccc2)S1 MOL1471
-OC(CCN1CCOCC1)c1ccc(Sc2ccccc2)cc1 MOL1472
-O[Si](c1ccc(C(F)(F)F)cc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 MOL1473
-O=C(C=Cc1ccccc1)c1ccc(Sc2ccccc2)cc1 MOL1474
-O=C(C=Cc1ccccc1)c1ccc(Oc2ccccc2)cc1 MOL1475
-O=C(C=Cc1ccccc1)c1ccc(-c2cccc(-c3ccccc3)c2)cc1 MOL1476
-NC(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O MOL1477
-OC(CNc1ncccn1)c1ccccc1 MOL1478
-CSc1cc(SC)ncn1 MOL1479
-O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21 MOL1480
-Cc1cc(Cc2cc(C)cc(S(=O)(=O)O)c2O)c(O)c(S(=O)(=O)O)c1 MOL1481
-Cc1cc(O)c2c(oc3cc(O)c4c(c32)COC4=O)c1C(=O)O MOL1482
-CCCCCC1=CC(=O)C=C(OC)C12C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c12 MOL1483
-C=CCN1C(=O)CSC1=S MOL1484
-CC1SC(=S)N(c2ccc(Cl)cc2)C1=O MOL1485
-O=C1C=CC(=O)C2C3c4ccccc4C(c4ccccc43)C12 MOL1486
-CC12CCC(O1)C1C(=O)OC(=O)C12 MOL1487
-COc1cc2oc(=O)cc(C)c2cc1O MOL1488
-Ic1ccc(SSc2ccc(I)cc2)cc1 MOL1489
-CCOC(=N)COC(=O)c1ccccc1 MOL1490
-N=C1NC(=O)C(CC(=O)O)S1 MOL1491
-Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12 MOL1492
-Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL1493
-C#CCN(C)Cc1ccccc1 MOL1494
-CN1C2CCC1CC(O)C2 MOL1495
-CN1C2CCC1CC(O)C2 MOL1496
-CN(C)C1C(O)=C(C(=O)NCNC2C(=O)N3C2SC(C)(C)C3C(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL1497
-CN(C)C1C(O)=C(C(=O)NCNc2cccc(C(=O)O)c2C(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL1498
-O=[N+]([O-])c1ccc(NN=C2C=C(S(=O)(=O)O)c3ccccc3C2=NNc2ccc([N+](=O)[O-])cn2)nc1 MOL1499
-CCOC(=O)N1C2c3ccccc3C(c3ccccc32)N1C(=O)OCC MOL1500
-O=C1C(O)=C(c2ccccc2)C(=O)C(O)=C1c1ccccc1 MOL1501
-Cc1ccc(C2(C)CC(C)(C)c3ccc(C)cc3O2)c(O)c1 MOL1502
-COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2)cc1O MOL1503
-CCOP(=O)(OCC)OCCOCCOP(=O)(OCC)OCC MOL1504
-O=C(CCCCC(=O)OCC1COCO1)OCC1COCO1 MOL1505
-COCCOCCOC(=O)C(CO)(CC(CO)(C(C)=O)C(=O)OCCOCCOC)C(C)=O MOL1506
-CCOC(=O)C(CO)(CC(CO)(C(C)=O)C(=O)OCC)C(C)=O MOL1507
-C1CC(C2OCOC3COCOC32)OO1 MOL1508
-O=C1OCOC1C1OCOC1=O MOL1509
-OCC(O)C1OCOC2COCOC21 MOL1510
-CCCCN=C(NCCCC)OC1CCCCC1 MOL1511
-N=C(OC1CCCCC1)N1CCCC1 MOL1512
-N=C(OC1CCCCC1)N1CCOCC1 MOL1513
-CCCCCCCCCCCCOC(=N)N1CCOCC1 MOL1514
-CC(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C MOL1515
-CCC(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C MOL1516
-C=C(C)C(=Nc1ccc(Cl)c(Cl)c1)N(C)C MOL1517
-S=P1(Oc2ccccc2)OCCO1 MOL1518
-NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O MOL1519
-CN1C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)SC1=S MOL1520
-COc1ccc(CC(NC(=O)NSc2ccccc2)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1 MOL1521
-CC12c3ccccc3C(C)(c3c1ccc1ccccc31)C1C(=O)OC(=O)C12 MOL1522
-Nc1cccc2cn[nH]c12 MOL1523
-CCN(CC)c1ccc2cc3ccc(N(CC)CC)cc3[o+]c2c1 MOL1524
-CCC1(CC)C(=N)NC(=S)NC1=O MOL1525
-COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1 MOL1526
-OC1C(O)C(O)C2(CO2)C(O)C1O MOL1527
-CCOc1ccc(N)c(S)c1 MOL1528
-O=S(=O)(O)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 MOL1529
-Oc1ccccc1SSc1ccccc1O MOL1530
-CN(c1ccc(C(N)=O)cc1)c1c(O)nc2ccccc2c1O MOL1531
-COc1ccc(OC)c(N=Nc2c(O)nc3ccccc3c2O)c1 MOL1532
-O=C1c2ccccc2C(=O)c2cc(N=Nc3c(O)ccc4ccccc34)ccc21 MOL1533
-CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(C(=O)Nc4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12 MOL1534
-COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O MOL1535
-COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C MOL1536
-CN(C)N=Nc1nc[nH]c1C(N)=O MOL1537
-c1cn[nH]c1 MOL1538
-CN(C)CCS MOL1539
-O=S(=O)(O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1 MOL1540
-NC(=O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1 MOL1541
-CN(C)C(=O)c1ccc(N=Nc2c(O)nc3ccccc3c2O)cc1 MOL1542
-Cc1ccc(N=Nc2c(O)nc3ccccc3c2O)c(S(=O)(=O)N(C)C)c1 MOL1543
-O=S(=O)(O)c1ccc2c(N=Nc3cccc4ccccc34)c(O)c(S(=O)(=O)O)cc2c1 MOL1544
-O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)nc4ccccc4c3O)cc2)cc1 MOL1545
-O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)cc2)cc1 MOL1546
-COc1cc(N=Nc2ccc(C(=O)N(C)C)cc2)c(C)cc1N=Nc1c(O)nc2ccccc2c1O MOL1547
-O=C(Nc1ccc2cc(S(=O)(=O)O)ccc2c1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1 MOL1548
-O=C(Nc1ccc2c(O)c(N=Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)c(S(=O)(=O)O)cc2c1)c1ccccc1 MOL1549
-Cc1cc(N=Nc2ccc(-c3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N MOL1550
-O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1 MOL1551
-CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(C(=O)Nc4ccc5cc(S(=O)(=O)O)ccc5c4)cc3)c(O)c12 MOL1552
-O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1 MOL1553
-CC(=O)Nc1cc2c(O)c(N=Nc3ccc(C(=O)Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)cc3)c(S(=O)(=O)O)cc2cc1S(=O)(=O)O MOL1554
-Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1 MOL1555
-COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5c(N)ccc6cc(S(=O)(=O)O)ccc56)c(S(=O)(=O)O)cc4c3)ccc2c1O MOL1556
-Oc1cc(SCc2ccccc2Cl)nc(O)n1 MOL1557
-CN(C)CCCCNc1c2c(nc3c(Cl)cccc13)CCC2 MOL1558
-Oc1nc(O)c2nc(Cl)[nH]c2n1 MOL1559
-Cc1cc(=O)oc2c(O)c(O)ccc12 MOL1560
-Cc1cc(=O)oc2cc(N)ccc12 MOL1561
-COc1c2oc(=O)ccc2c(Br)c2c(Br)c(Br)oc12 MOL1562
-COc1c2occc2c([N+](=O)[O-])c2ccc(=O)oc12 MOL1563
-CC1(c2ccccc2)OC(=O)c2ccccc21 MOL1564
-CS(=O)(=O)O.N=C(N)SCCc1ccncc1 MOL1565
-CCOC(=O)C(C(=N)C(=N)C(C(=O)O)C(=O)OCC)C(=O)O MOL1566
-CCOC(=O)C1=C2N=C(O)C(C(=O)OCC)=C2N=C1O MOL1567
-CC(=O)Nc1ncc([N+](=O)[O-])s1 MOL1568
-COc1c2c(cc3ccc(=O)oc13)C(Cl)C(Cl)O2 MOL1569
-COc1c2occc2cc2ccc(=O)oc12 MOL1570
-N=C1NC(=O)CS1 MOL1571
-CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.O=C(O)CCC(=O)O MOL1572
-O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1 MOL1573
-O=C1CCCCCCCCCCCC(=O)OCCO1 MOL1574
-O=C1OCCN(CCO)C12CCCC2 MOL1575
-N=C(NN=Cc1ccc(Cl)c(Cl)c1)C(=N)NN=Cc1ccc(Cl)c(Cl)c1 MOL1576
-O=c1ccc2cc([N+](=O)[O-])ccc2o1 MOL1577
-Cc1c(N=O)cc(C(C)C)c(O)c1I MOL1578
-N=C(NN=Cc1ccc(Cl)cc1Cl)C(=N)NN=Cc1ccc(Cl)cc1Cl MOL1579
-N=C(NN=Cc1ccc(Cl)cc1)C(=N)NN=Cc1ccc(Cl)cc1 MOL1580
-O=C1NC2CCCCC2C(=O)N1OS(=O)(=O)c1ccccc1 MOL1581
-O=C(ONC(=O)C1C2C=CC(C2)C1C(=O)NOC(=O)c1ccccc1)c1ccccc1 MOL1582
-CC(=O)NCS(=O)(=O)O MOL1583
-NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)C(O)C1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O MOL1584
-CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C MOL1585
-CC12CCC(=O)C=C1CCC1C3CCC4(OCC4=O)C3(C)CC(O)C12F MOL1586
-Cc1ccc(NCC2(N=Cc3ccccc3)OC(CO)C(O)C2O)cc1 MOL1587
-NC(=O)C1CC2(C1)CC(C(N)=O)C2 MOL1588
-N=C(NN=C(c1ccccc1)c1ccc(N)cc1)C(=N)NN=C(c1ccccc1)c1ccc(N)cc1 MOL1589
-N=C(NN=CC(O)C(O)C(O)C(O)C(=O)O)C(=N)NN=CC(O)C(O)C(O)C(O)C(=O)O MOL1590
-NC(=O)C(N)c1ccccc1 MOL1591
-Nc1cc(S(=O)(=O)O)c(O)c2c1C(=O)c1c(O)c(S(=O)(=O)O)cc(N)c1C2=O MOL1592
-O=[N+]([O-])c1cc(Cl)c(O)c(N=Nc2cc(S(=O)(=O)O)c3cccc4[nH]nnc2c43)c1 MOL1593
-CC1=NN(c2ccc(Cl)cc2S(=O)(=O)O)C(=O)C1N=Nc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 MOL1594
-O=S(=O)(O)c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)cc(S(=O)(=O)O)cc2c1 MOL1595
-O=C(O)c1c(O)ccc(N=Nc2ccc(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3O)c3ccccc23)c1O MOL1596
-CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 MOL1597
-O=[N+]([O-])c1ccc(N=Nc2c(O)c(N=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)cc(N=Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c2O)cc1 MOL1598
-Cc1cc(-c2ccc(N=Nc3c(N)c(C)cc(S(=O)(=O)O)c3N)c(C)c2)ccc1N=Nc1ccc(O)c(C(=O)O)c1 MOL1599
-CCOc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1 MOL1600
-O=S(=O)(O)c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c3ccccc23)c1 MOL1601
-O=C(Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1 MOL1602
-Nc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6cccc(N)c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1 MOL1603
-O=S(=O)(O)c1cc2nc3c4cccc(S(=O)(=O)O)c4c(Nc4ccccc4)cc3[n+](-c3ccccc3)c2cc1Nc1ccccc1 MOL1604
-Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5ccc(O)cc5)cc4)cc3)c(O)c12 MOL1605
-COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O MOL1606
-Nc1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc(N=Nc6ccc(N)cc6N)cc5)c(O)c4c3N)cc2)c(N)c1 MOL1607
-CCOc1cc(N=Nc2cc(Cl)c(S(=O)(=O)O)cc2Cl)c2cc(S(=O)(=O)O)ccc2c1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)c3ccc(N)cc3)ccc2c1O MOL1608
-Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1 MOL1609
-COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc(S(=O)(=O)O)cc5C)c(S(=O)(=O)O)cc4c3)ccc2c1O MOL1610
-Nc1ccc(N=Nc2ccc(N=Nc3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4O)c4ccc(S(=O)(=O)O)cc34)c3ccc(S(=O)(=O)O)cc23)cc1 MOL1611
-CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2)cc1 MOL1612
-Cc1cc(NC(=O)c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(NC(=O)c5ccc(N)cc5)ccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 MOL1613
-CS(=O)(=O)OCCC(=O)N1CCN(C(=O)CCOS(C)(=O)=O)CC1 MOL1614
-c1ccc(-c2nc3sc(-c4ccccc4)nc3s2)cc1 MOL1615
-Oc1ccccc1-c1nc2sc(-c3ccccc3O)nc2s1 MOL1616
-O=S1(=O)NCNc2cc(C(F)(F)F)ccc21 MOL1617
-Cc1c(C)c(CC(=O)N2CC2)c(C)c(C)c1CC(=O)N1CC1 MOL1618
-CC(C)(C)CC1=COC(C=O)(CC(C)(C)C)CC1 MOL1619
-CC(CO)CS(=O)(=O)O MOL1620
-N=C(NN)C(=N)NN MOL1621
-CC12CC3(C)SC(C)(CC(C)(S1)S2)S3 MOL1622
-OCCCN1CCCC12CCCCC2 MOL1623
-COC(=O)C1C(O)C(C)C(O)C(C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1OC(C)=O MOL1624
-CC1(C)COC(=O)N1 MOL1625
-Cc1c2ccccc2n[c-](CCl)[n+]1=O MOL1626
-CSC[c-]1nc2ccccc2c(C)[n+]1=O MOL1627
-Cc1c2ccccc2n[c-](C)[n+]1=O MOL1628
-Nc1ccccc1SSc1ccccc1N MOL1629
-CCCCC(C(=O)O)C1=CCCCC1 MOL1630
-O=C(Oc1ccccc1C(=O)O)c1ccccc1O MOL1631
-O=Cc1nc2ccccc2s1 MOL1632
-COc1cc(NC=O)c(OC)cc1Cl MOL1633
-CC1(C)CNC(=S)S1 MOL1634
-CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C MOL1635
-CC1S(=O)C(C)S(=O)C(C)S1=O MOL1636
-O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1 MOL1637
-CN(C)C(=S)SSC(=S)N(C)C MOL1638
-NC(=O)CCS(=O)(=O)O MOL1639
-Cc1ccc(S(=O)(=O)Sc2ccccc2)cc1 MOL1640
-CSS(=O)(=O)C(c1ccccc1)c1ccccc1 MOL1641
-O=S(=O)(Sc1ccccc1)C(c1ccccc1)c1ccccc1 MOL1642
-O=S(=O)(SCc1ccccc1)C(c1ccccc1)c1ccccc1 MOL1643
-CC1=CC(C)(C)NC(=S)N1c1ccccc1O MOL1644
-CC1=CC(C)(C)NC(=S)N1c1ccc(N(C)C)cc1 MOL1645
-CC1=CC(C)(C)NC(=S)N1c1ccc(C)c(N2C(=S)NC(C)(C)C=C2C)c1 MOL1646
-CC1=CC(C)(C)NC(=S)N1CCO MOL1647
-CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O MOL1648
-CCN1OC(C)(C)C2CCC(C)CC21 MOL1649
-OC(CN(CCCl)CCCl)C(O)C(O)C(O)CN(CCCl)CCCl MOL1650
-Cc1cc(-c2cc(C)c(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N MOL1651
-COc1ccc2c(c1)C(=O)CC(c1ccccc1)O2 MOL1652
-COc1ccc(C2CC(=O)c3ccccc3O2)cc1OC MOL1653
-COc1ccc2c(c1)C(=O)CC(c1ccccc1OC)O2 MOL1654
-COc1ccc(C2CC(=O)c3ccccc3O2)cc1 MOL1655
-O=C(C=Cc1cccc(O)c1)C=Cc1cccc(O)c1 MOL1656
-CN(C)C1C(O)=C(C(=O)NCN2CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL1657
-CN(C)C(C(N)=O)c1ccccc1 MOL1658
-NC(=O)C(c1ccccc1)N1CCOCC1 MOL1659
-CN(C)C(C(N)=O)c1ccc(Cl)cc1 MOL1660
-CC12SC3(C)SC(C)(S1)SC(C)(S2)S3 MOL1661
-O=C(O)c1cc2cccc(O)c2cc1O MOL1662
-Cc1c2ccccc2n[c-](CSc2ccccc2)[n+]1=O MOL1663
-CCCCSC[c-]1nc2ccccc2c(C)[n+]1=O MOL1664
-Cc1c2ccccc2n[c-](CSCCC(C)C)[n+]1=O MOL1665
-Cc1c2ccccc2n[c-](CSCc2ccccc2)[n+]1=O MOL1666
-CCCCCCCSC[c-]1nc2ccccc2c(C)[n+]1=O MOL1667
-Cc1c2ccccc2n[c-](CSC#N)[n+]1=O MOL1668
-Cc1c2ccccc2n[c-](CSc2ccccc2N)[n+]1=O MOL1669
-Cc1c2ccccc2n[c-](CSc2ccc(Cl)cc2)[n+]1=O MOL1670
-Nc1o[nH]c(=O)c1C1CCCCC1 MOL1671
-O=c1[nH]oc(NS(=O)(=O)c2ccccc2)c1C1CCCCC1 MOL1672
-O=C(OCCNCCCl)c1ccc2c(c1)OCO2 MOL1673
-COc1ccccc1OS(=O)(=O)c1ccc(C)cc1 MOL1674
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1=O MOL1675
-N#CC(=C(c1ccccc1)c1ccccn1)c1ccc(Cl)cc1 MOL1676
-N#CC(=C(c1ccccc1)c1ccccn1)c1ccccc1 MOL1677
-O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl MOL1678
-O=C1O[Cu-3]2(Cl)NC1Cc1c[nH]c[n+]12 MOL1679
-Brc1ccc2nc(-c3ccccc3)c3ccccc3c2c1 MOL1680
-COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O MOL1681
-COc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)c2)cc1OC MOL1682
-Cc1cccc(Nc2nc(N)nc(N)c2N=O)c1 MOL1683
-COc1ccc2c(c1)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 MOL1684
-CCCCN(CCCC)CCNc1ccc(Cl)c2oc3cc(C)ccc3c(=O)c12 MOL1685
-CC(=O)NC(CCC(=O)C=[N+]=[N-])C(=O)O MOL1686
-c1cc2n(n1)CCN2 MOL1687
-COc1ccc(C2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc1 MOL1688
-O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1 MOL1689
-COc1ccc2c(c1)C(C(=O)O)CC(=O)N2C MOL1690
-CCOC(=O)NP(=O)(N1CC1(C)C)N1CC1(C)C MOL1691
-CC1=CSC2=NCCN12 MOL1692
-Oc1nnc(O)c2nc(Nc3ccco3)ncc12 MOL1693
-Oc1nnc(O)c2nc(Nc3ccccc3)ncc12 MOL1694
-Oc1nnc(O)c2nc(Nc3ccc(Cl)cc3)ncc12 MOL1695
-COc1cc(OC)c2c(=O)cc(-c3ccncc3)oc2c1 MOL1696
-c1ccc(N2N=NC3C4CCC(C4)C32)cc1 MOL1697
-CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)cccc2Cl)C=C(C(=O)O)C1=O MOL1698
-Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O MOL1699
-Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1O MOL1700
-CCC(=O)c1c(CC)ccc2ccccc12 MOL1701
-CC(O)CS(=O)(=O)O MOL1702
-CC(CS(C)(=O)=O)S(=O)(=O)O MOL1703
-CC1(C)SCCCCCCCSC(C)(C)SCCCCCCCS1 MOL1704
-CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4CC3CC12 MOL1705
-CN1C(=O)Nc2ncn(C)c2S1(=O)=O MOL1706
-Cn1cnc2c1=S(=O)(O)N=C(S)N=2 MOL1707
-CN1C(=S)Nc2ncn(C)c2S1(=O)=O MOL1708
-c1c[n+]([Ni-4]([n+]2cc[nH]c2)([n+]2cc[nH]c2)([n+]2cc[nH]c2)([n+]2cc[nH]c2)[n+]2cc[nH]c2)c[nH]1 MOL1709
-CC(CSC(=N)N)C(N)=O MOL1710
-Clc1nc(Cl)nc(-c2ccccc2)n1 MOL1711
-C=CN(c1ccccc1)c1nc(O)nc(O)n1 MOL1712
-CC(CCC(=O)O)(c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1)c1ccc(O)c(CN(c2ccccc2)c2ccccc2)c1 MOL1713
-S=C=Nc1ccc(SSc2ccc(N=C=S)cc2)cc1 MOL1714
-S=P(c1ccccc1)(N1CCCCC1)N1CCCCC1 MOL1715
-CNP(=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 MOL1716
-S=P(Oc1cc(Cl)c(Cl)cc1Cl)(N1CCN(c2cccc(Cl)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 MOL1717
-CNP(=S)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 MOL1718
-[O-][n+]1onc(-c2ccccc2)c1-c1ccccc1 MOL1719
-CC(C)(C)c1ccc(N=O)cc1 MOL1720
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1=O MOL1721
-Clc1ccc(SSc2ccccc2)cc1 MOL1722
-CN1c2ccccc2Oc2ccc3ccccc3c21 MOL1723
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(C(F)(F)F)c3)c2c1O MOL1724
-c1ccc2nc3c(nc2c1)[nH]c1ccccc13 MOL1725
-c1ccc(N2N=NC3C4CC(C32)C2C4N=NN2c2ccccc2)cc1 MOL1726
-N#CC1C(C#N)C2CC1C1N=NN(c3ccccc3)C21 MOL1727
-N#CC1(Cl)CC2CC1C1N=NN(c3ccccc3)C21 MOL1728
-O=C1O[Ni-2]2(Cl)NC1Cc1c[nH]c[n+]12 MOL1729
-O=S(=O)(O)CC(O)CCl MOL1730
-Cc1n(Cc2ccc([N+](=O)[O-])cc2)c2c([n+]1-c1ccccc1)C(=O)c1ccccc1C2=O MOL1731
-CC(=O)c1cccc(NC2C(N)C(NC(=O)N(C)C)(C(C)O)C(C)(O)C2(O)COC(=O)c2c(C)cccc2O)c1 MOL1732
-O=C(NNC(=O)c1ccncc1)c1ccncc1 MOL1733
-C1CN2C(=N1)N1CCN=C1N1CCN=C21 MOL1734
-Cc1cc(C=Cc2ccnc3ccccc23)ccc1N(C)C MOL1735
-Oc1ccc(I)c2cccnc12 MOL1736
-O=C(O)c1cc2ccccc2oc1=O MOL1737
-O=C1C2CC3OC3CC2C(=O)N1CN1C(=O)C2CC3OC3CC2C1=O MOL1738
-O=C1C2CC3OC3CC2C(=O)N1CCCCCCN1C(=O)C2CC3OC3CC2C1=O MOL1739
-CCCCOC(=O)C1CC2OC2CC1C(=O)OCCOCCOC(=O)C1CC2OC2CC1C(=O)OCCCC MOL1740
-CCCCOC(=O)C1CC2OC2CC1C(=O)OCCCCOC(=O)C1CC2OC2CC1C(=O)OCCCC MOL1741
-C1Cn2nnnc2N1 MOL1742
-COc1cc(N=O)c(N=O)cc1[N+](=O)[O-] MOL1743
-CC12CCC(c3no[n+]([O-])c31)C2(C)C MOL1744
-O=Nc1c(-c2ccccc2)nnc(-c2ccccc2)c1N=O MOL1745
-CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)CCC12O MOL1746
-NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O MOL1747
-Cc1cc(=O)c2c(o1)-c1c(cc(O)c(O)c1C(=O)O)OC2 MOL1748
-COc1cc(NC(C)=O)c(OC)cc1Cl MOL1749
-O=CNc1ccc(S(=O)(=O)c2ccc(NC=O)cc2)cc1 MOL1750
-OC1C2CCCC1C1(CCCCC1)C1CCCCC21O MOL1751
-CCCCC1OCCOC1C1COCCO1 MOL1752
-O=C(c1ccccc1)N1C(=O)c2ccccc21 MOL1753
-COc1cc2c(cc1OC)C1C(=O)c3c(O)cc4c(c3OC1CO2)C=CC(C)(C)O4 MOL1754
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1O MOL1755
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1O MOL1756
-COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(OC)c1OC MOL1757
-COc1ccc(-c2cc(=O)c3c(OC)c(O)c(OC)cc3o2)cc1 MOL1758
-COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1 MOL1759
-COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1 MOL1760
-CC1CN1C(=O)NCCCCCCNC(=O)N1CC1C MOL1761
-O=C(O)CSSCC(=O)O MOL1762
-O=C(O)C1CCC(C(=O)O)SS1 MOL1763
-C[N+](C)(C)CC1C2C=CC(C2)C1CO MOL1764
-O=C1OC(C(O)CO)C(O)=C1Nc1ccc(S(=O)(=O)c2ncc(NC3=C(O)C(C(O)CO)OC3=O)s2)cc1 MOL1765
-C[n+]1cn(C2OC(CO)C(O)C2O)c2[nH+]c(O)nc(O)c21 MOL1766
-O=[N+]([O-])c1nc[nH]c1S MOL1767
-O=c1ccc2ccccc2n1Cc1ccc2ccccc2n1 MOL1768
-Cc1nc2c(O)ccc(O)c2nc1C MOL1769
-Cc1ccc(C)n1-n1c2ccccc2c2ccccc21 MOL1770
-CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO MOL1771
-CCCCCCCCCCCCCCCCC(O)CS(=O)(=O)O MOL1772
-N#CCCN(CCO)CCO MOL1773
-CCC(C)=C1CC(C)(C)N=C1C MOL1774
-CC1=NC(C)(C)CC2CCC(O)C12 MOL1775
-C=C(C)C1=NC(C)(C)CC1=C(C)C MOL1776
-CC1(C)CC2CCC(O)C2C(CCO)N1 MOL1777
-CC(C)=C1CC(C)(C)N=C1CCN1CCOCC1 MOL1778
-CC(C)=C1CC(C)(C)N=C1CCC1=NC(C)(C)CC1=C(C)C MOL1779
-C1COCCO1.CC(C)NC(=N)NC#N MOL1780
-COc1cc(NCCCCCNC(=N)NC#N)c2ncccc2c1 MOL1781
-O=c1oc2ccccc2cc1Cl MOL1782
-O=C1c2ccccc2OC(Cl)(c2ccccc2)C1Cl MOL1783
-CC(=O)Oc1ccccc1C(=O)C=Cc1ccccc1 MOL1784
-O=C(CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 MOL1785
-N=C(N)Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CC(=N)N)cc3)cc2)cc1 MOL1786
-O=C1N(C2CCCCC2)CC2(Cc3ccccc3)c3ccccc3NC12O MOL1787
-Cc1ccc(Nc2nc(N)nc(O)c2N=O)cc1 MOL1788
-CCCCCCCCCC1OC(CCCCCCCCC)OC(CCCCCCCCC)O1 MOL1789
-CN(C)CCN1C(=O)C2C3CCC(C)(O3)C2C1=O MOL1790
-CC[N+](C)(CC)CCCC(C)N1C(=O)C2CCCCC2C1=O MOL1791
-Cc1c(CN2CCOCC2)cc(C(C)C)c(O)c1CN1CCOCC1 MOL1792
-COc1cc(C(O)C(O)c2cc(CN3CCOCC3)c(O)c(OC)c2)cc(CN2CCOCC2)c1O MOL1793
-O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC1 MOL1794
-CC1CCCN(CC(O)CN2CCN(CC(O)CN3CCCC(C)C3)C(C)C2)C1 MOL1795
-CCCCCCCCCCCCCCCC[N+]1(C)CC2CCCCC2C1 MOL1796
-NC(=O)CS(=O)(=O)NC(N)=O MOL1797
-COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(OC)c1O MOL1798
-CCC(c1ccc(OC(C)=O)c(CC(Br)CBr)c1)C(CC)c1ccc(OC(C)=O)c(CC(Br)CBr)c1 MOL1799
-CC(C)CNC(=S)NN=Cc1ccncc1 MOL1800
-CC(C=Cc1ccccc1Cl)=NC(=S)NC(N)=S MOL1801
-CC(C=Cc1ccc(N(C)C)cc1)=NNC(=S)NCC(C)C MOL1802
-OC1(c2ccccc2)c2ccccc2CCC1Br MOL1803
-Cc1cccc(Cl)c1NC=O MOL1804
-CCCC(C(=O)OCC)N1C(=O)c2ccccc2S1(=O)=O MOL1805
-C=CCCCCCCCCCOC=O MOL1806
-O=[N+]([O-])c1ccc(OP(=O)(Oc2ccc([N+](=O)[O-])cc2)OP(=O)(Oc2ccc([N+](=O)[O-])cc2)Oc2ccc([N+](=O)[O-])cc2)cc1 MOL1807
-CCCCCCCNC(=S)NN=Cc1ccccc1O MOL1808
-Oc1ccccc1C=NNC(=S)Nc1cccc2cc3ccccc3nc12 MOL1809
-Cn1nc(C(N)=O)c(=O)[nH]c1=O MOL1810
-Nc1c(Cl)ncnc1NCCO MOL1811
-Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O MOL1812
-O=C1C2=C(SCCS2)C(=O)c2ccccc21 MOL1813
-CCCCCCc1cc(S(=O)(=O)O)c(O)cc1O MOL1814
-COC1OOC(OC)c2ccccc2-c2ccccc21 MOL1815
-O=C(C[n+]1ccccc1)c1ccc(O)c(O)c1 MOL1816
-O=C(C[n+]1ccc2ccccc2c1)c1ccc(O)c(O)c1 MOL1817
-Cc1ccc([Si](O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL1818
-O=C1c2ccccc2-c2cc(N3C(=O)C=CC3=O)ccc21 MOL1819
-O=C1C(O)C(O)C(O)C(O)C1O MOL1820
-CC(C)CN(CC(C)C)C(=O)C(Br)C(Br)C(=O)O MOL1821
-c1ccc(C2COC(c3ccc4c(c3)OCO4)O2)cc1 MOL1822
-CCOc1ccc(C2OCCC(C)O2)cc1OC MOL1823
-CCCCCCC1OC(C(=O)OCCCC)C(C(=O)OCCCC)O1 MOL1824
-CC1(C)OC(=O)CC2(C)OC12 MOL1825
-Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O MOL1826
-O=C1OC2CCCC1O2 MOL1827
-O=C1C2CC3OC3CC2C(=O)N1CCN1C(=O)C2CC3OC3CC2C1=O MOL1828
-CC1CN1P(=O)(OCCC#N)N1CC1C MOL1829
-Nc1nc(O)c(N=O)c(Nc2ccc(Cl)c(Cl)c2)n1 MOL1830
-Nc1nc(N)c(N)c(Nc2ccccc2)n1.O=S(=O)(O)O MOL1831
-O=C(NN=Cc1ccc(O)c(S(=O)(=O)O)c1)C(=O)NN=Cc1ccc(O)c(S(=O)(=O)O)c1 MOL1832
-O=C(NN=Cc1cccc([N+](=O)[O-])c1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1 MOL1833
-C1CCC(NC2CCCCC2)CC1.CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2 MOL1834
-OCC12CCCC(CO)(COC1)C2O MOL1835
-CC1(C)SCC(COC(=O)c2ccccc2)S1 MOL1836
-O=P(Nc1nccc(Cl)n1)(Nc1nccc(Cl)n1)c1ccccc1 MOL1837
-N#CC(=Cc1ccc2c(c1)OCO2)c1ccccc1 MOL1838
-CC12CCC(C(S(=O)(=O)Nc3ccccc3)C1=O)C2(C)C MOL1839
-COc1ccccc1C=C1N=C(c2ccccc2)OC1=O MOL1840
-Cc1ccc(N2C=[N+](C)c3ccc(C)cc3C2)cc1 MOL1841
-O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2ccccc21 MOL1842
-CCCCN(CCCC)CC1CC(C(C)(C)C)CCC1O MOL1843
-O=C(Nc1ccccc1)NC(CSSCC(NC(=O)Nc1ccccc1)C(=O)O)C(=O)O MOL1844
-CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CSSCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC MOL1845
-CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)OCC)NC(=O)OCc1ccccc1 MOL1846
-COc1ccccc1C1C=NNC1 MOL1847
-O=C(c1ccc(Cl)cc1)C1N=NCC1c1ccccc1 MOL1848
-[O-][Cl+3]([O-])([O-])O.c1ccc(-c2c3ccccc3[o+]c3ccccc23)cc1 MOL1849
-Cc1ccc(-c2cc(-c3ccccc3)[s+]c3ccc(C)cc23)cc1.O=P(O)(O)O MOL1850
-C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)Oc3ccccc32)C=C1 MOL1851
-COc1cccc(C2CO2)c1 MOL1852
-CCC1(Br)C(=O)NC(=O)NC1=O MOL1853
-CN(C)C=C1C=CC=C1 MOL1854
-CN(C)CC1CCCC1=O MOL1855
-c1ccc2sc(N3CCCCC3)nc2c1 MOL1856
-COc1ccc(CC[N+](C)(C)C)cc1 MOL1857
-O=C(c1ccccc1)N1CCCCC1c1cccnc1 MOL1858
-C1NNCN2CNNCN12 MOL1859
-C=CCc1cc(C(CC)=C(CC)c2ccc(OCCN(CC)CC)c(CC=C)c2)ccc1OCCN(CC)CC MOL1860
-COc1ccc2c(c1)CCC1C2CCC2(C)C(O)C(O)CC12 MOL1861
-CCc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 MOL1862
-N=C(N)SCc1c2ccccc2c(CSC(=N)N)c2ccccc12 MOL1863
-CC(=O)Nc1ccc(C=C(C#N)c2ccccc2)cc1 MOL1864
-COc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1 MOL1865
-OCC(O)C(O)c1cnn(-c2ccccc2)n1 MOL1866
-CC(O)C(O)C(O)C(O)c1nc2ccccc2[nH]1 MOL1867
-O=C(NNc1ccccc1)C(O)C(O)C(O)C(O)C(O)CO MOL1868
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(Oc2ccccc2)C(OC(C)=O)C1OC(C)=O MOL1869
-OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(C=NNc1ccccc1)=NNc1ccccc1 MOL1870
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)c1nc2ccccc2[nH]1 MOL1871
-OC1COC(c2ccccc2)OC1C1OC(c2ccccc2)OC2COC(c3ccccc3)OC21 MOL1872
-CN(C)CC(=O)C1C(=O)N(C)c2ccccc21 MOL1873
-CCOC(=O)CC1(CC(=O)OCC)C(=O)N(C)c2ccccc21 MOL1874
-O=C1CCCC2CCCCN12 MOL1875
-CCOC(=O)CC1CN(Cc2ccccc2)CCC1=O MOL1876
-O=C(CC1(CC(=O)NCc2ccccc2)OCCO1)NCc1ccccc1 MOL1877
-O=C1NC(=O)C2(CC2)C(=O)N1 MOL1878
-CCOC(=O)C(=CNc1cccc(NC=C(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC MOL1879
-CCOc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(OCC)c(OCC)c2)cc1OCC MOL1880
-O=C(NN=Cc1ccccc1S(=O)(=O)O)C(=O)NN=Cc1ccccc1S(=O)(=O)O MOL1881
-CCOC(=O)C(c1ccccc1)[N+](C)(C)C MOL1882
-O=S1CCCCS1 MOL1883
-O=C1C2(CCCC13OC3c1ccccc1)OC2c1ccccc1 MOL1884
-CC12CCC3C(CCC4OCCCC43C)C1CCC2O MOL1885
-CSc1ncc(Br)c(Nc2cnc(O)nc2O)n1 MOL1886
-Cc1nn(C)c(=O)[nH]c1=O MOL1887
-COc1cc2c(c(OC)c1O)C(=O)CC(c1ccc(O)cc1)O2 MOL1888
-Oc1nnc2ccc(nnc1O)c1ccccc21 MOL1889
-C1OC1CN1CCC(C2CCN(CC3CO3)CC2)CC1 MOL1890
-O=C1NC(=O)C(=NO)C(=O)N1 MOL1891
-C1C2OC2C2C1C1CC2C2OC12 MOL1892
-CCCCNc1nc(C(F)(F)F)nc2[nH]cnc12 MOL1893
-COc1ccc(C2=CC(=Cc3ccc(O)cc3O)C(=O)O2)cc1 MOL1894
-O=C1c2ccccc2C(c2ccccc2)(N2CCCCC2)N1c1ccccc1 MOL1895
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1C MOL1896
-CCC(C)C(=CC(=O)O)C(=O)O MOL1897
-N#CC1C2C=CC(CCC2)C1C#N MOL1898
-CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O MOL1899
-ON=C1CCCC(=NO)C1=NO MOL1900
-C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1O MOL1901
-COCC12CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2 MOL1902
-CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C23)C14 MOL1903
-C=C1C2CCC3(CCC4C5(C)CCCC4(C=[N+](CCOC(C)=O)C5)C3C2)C1OC(C)=O MOL1904
-C=C1C2CCC3(CCC4C5(C)CCCC4(CN4CCOC45)C3C2)C1O MOL1905
-CC(C)(C)NC(=O)CCC(=O)O MOL1906
-O=C(O)CCC(=O)Nc1ccccc1 MOL1907
-O=C(O)CCC(=O)NC(c1ccccc1)c1ccccc1 MOL1908
-O=C1CCC(=O)N1C(c1ccccc1)(c1ccccc1)N1C(=O)CCC1=O MOL1909
-CC(=O)N(C)C(c1ccccc1)(c1ccccc1)c1ccccc1 MOL1910
-O=C1CCC(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 MOL1911
-O=C(O)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL1912
-COCCCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL1913
-c1ccc(CSC(SCc2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL1914
-O=C(c1ccc(Cl)cc1)N1CC1 MOL1915
-N#CSCc1ccc(Cl)cc1 MOL1916
-OC1C(O)C2CC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MOL1917
-ClC1C(Cl)C2CC1C1CC3OC3C21 MOL1918
-O=C1C=C(Nc2ccc(Cl)cc2Cl)C(=O)C=C1Nc1ccc(Cl)cc1Cl MOL1919
-COc1ccc(C(=O)CC(=O)c2ccc3ccccc3n2)c(O)c1OC MOL1920
-CCCCNC1C2CCC(C)(C1O)C2(C)C MOL1921
-CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccccc12.O=P(O)(O)O MOL1922
-CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2cc(Cl)ccc12.O=P(O)(O)O MOL1923
-OCCN(CCO)CCCNc1ccnc2cc(Cl)ccc12 MOL1924
-CCN(CC)CCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 MOL1925
-CCCCN(CCCC)C1CCC(Nc2ccnc3cc(Cl)ccc23)CC1 MOL1926
-COc1cc(NCCCNCC(C)(C)C)c2ncccc2c1 MOL1927
-CC(C)NCCCCCNc1cccc2cccnc12 MOL1928
-Nc1ccc2c(c1)C(N)c1ccccc1-2 MOL1929
-Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2 MOL1930
-CC(=O)Nc1ccc2c(c1)Cc1cc(N(CCO)CCO)ccc1-2 MOL1931
-CNCC(OB(c1ccccc1)c1ccccc1)c1ccccc1 MOL1932
-Cc1cc(=O)c2c(o1)-c1ccccc1C(c1ccccc1)c1ccccc1-2 MOL1933
-CC(O)C(NCNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O)C(=O)O MOL1934
-CN(C)C1C(O)=C(C(=O)NCNCCCC(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL1935
-CC1(C)C2CCC1C(SC(=N)N)C2.Cc1ccc(S(=O)(=O)O)cc1 MOL1936
-COc1cccc(C=NNC(=O)C(C)SC(C)C(=O)NN=Cc2cccc(OC)c2)c1 MOL1937
-O=P(O)(O)OP(=O)(O)O MOL1938
-c1ccc(N2N=[O+][Cu-3]3(O2)ON(c2ccccc2)N=[O+]3)cc1 MOL1939
-COc1ccc(C(=O)c2ccccc2O)c(O)c1 MOL1940
-C(=Cc1ccccc1)C=NCCCCCCN=CC=Cc1ccccc1 MOL1941
-CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 MOL1942
-Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O MOL1943
-Cc1cc(C(=C2C=CC(=Nc3ccc(S(=O)(=O)O)cc3)C=C2)c2ccc(Nc3ccc(S(=O)(=O)O)cc3)cc2)cc(S(=O)(=O)O)c1N MOL1944
-CC(C)CC1NC(=O)C(CC(C)C)N(CO)C1=O MOL1945
-Clc1nc(NC2CCCCC2)nc(NC2CCCCC2)n1 MOL1946
-CCC1c2ccc3cc(OC)ccc3c2CCC1(C)C(=O)O MOL1947
-CCCC(NCCNC(CCC)C(=O)O)C(=O)O MOL1948
-CC(NCCCNC(C)C(=O)O)C(=O)O MOL1949
-CC(NCCCCNC(C)C(=O)O)C(=O)O MOL1950
-CCCCCC1OC1CC=CCCCCCCCC(=O)O MOL1951
-CCCCCC1OC1CC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC1OC1CCCCC MOL1952
-CN1COc2ccc(Br)cc2C1 MOL1953
-O=[N+]([O-])c1ccc(P2(=O)Nc3ccccc3N2)cc1 MOL1954
-O=P1(c2ccccc2)Nc2ccccc2N1c1ccccc1 MOL1955
-CNc1nc(SC)n(C)c(=O)c1N=O MOL1956
-Brc1ncnc2c1ncn2C1CCCS1 MOL1957
-CCC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(O)CCC3C12 MOL1958
-CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CC(SC(C)=O)C4(C)C3CCC21C MOL1959
-O=C1NNC=Nc2ccc(cc2)S(=O)(=O)c2ccc(cc2)N=CNNC1=O MOL1960
-CCCCC(C=NNc1ccc([N+](=O)[O-])cn1)CC MOL1961
-CSc1nc(C)cc(Nc2ccc(O)c(CN3CCOCC3)c2)n1 MOL1962
-FC(F)(F)c1nc(Cl)c2ncsc2n1 MOL1963
-FC(F)(F)c1nc(Cl)nc2[nH]cnc12 MOL1964
-CN(CCO)CNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O MOL1965
-Nc1nnnc2[nH]cnc12 MOL1966
-Cc1cccc(N(C=O)c2c(O)nc(N)nc2O)c1 MOL1967
-ClB1NB(Cl)NB(Cl)N1 MOL1968
-CNC(=N)c1ccc(NC(=N)c2ccc(C(=N)Nc3ccc(C(=N)NC)cc3)cc2)cc1 MOL1969
-O=C(O)C=Cc1ccc(O)c(O)c1 MOL1970
-CCC1CC(=NN=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 MOL1971
-N=c1[nH]nnn1CCCl MOL1972
-CCCC1(C)OC(=O)C(c2ccccc2)O1 MOL1973
-CCCCOC(=O)N(CCCC)c1ccccc1 MOL1974
-CCOC(=O)CCC1(C)OCC(COC)O1 MOL1975
-COP(=O)(OC)C1c2ccccc2-c2cccc(C(=O)O)c21 MOL1976
-CC(=O)SC1CC(=O)OC1=O MOL1977
-NC1(S(=O)(=O)O)c2ccccc2-c2ccccc21 MOL1978
-CN1C(=O)N(C)C(O)C1O MOL1979
-O=CN1CCN(C=O)C(O)C1O MOL1980
-NP(N)(=O)Nc1ccccc1 MOL1981
-NP(=O)(Nc1ccccc1)Nc1ccccc1 MOL1982
-Oc1c(C(O)N2CCOCC2)cc(C(O)N2CCOCC2)c(O)c1O.Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1O MOL1983
-Nc1ccc(C(=Nc2ccccc2)c2ccc(N)cc2)cc1 MOL1984
-CCCCCCCCCCCCCCCCCCN1CN(CO)C(=O)N(CO)C1 MOL1985
-O=C1OCCN1CCO MOL1986
-O=c1c(O)c(-c2ccccc2)oc2ccccc12 MOL1987
-O=C1NC(CO)(CO)CO1 MOL1988
-C[N+](C)(C)CCS(=O)(=O)O MOL1989
-O=C1C=CC(=O)C2C1C1CC3C=CC312 MOL1990
-Cc1ccccc1OP(=S)(Oc1ccccc1C)Oc1ccccc1C MOL1991
-NNC(=O)C(O)C(O)C(=O)NN MOL1992
-O=C(NN=CC=Cc1ccccc1)C(O)C(O)C(=O)NN=CC=Cc1ccccc1 MOL1993
-Oc1ccc(S)cc1CNC1CCCCC1 MOL1994
-O=C(Nc1ccccc1S)c1ccccc1 MOL1995
-Sc1ccc2ccccc2c1CNC1CCCCC1 MOL1996
-CCOC(=O)C1C2CCC(O2)C1C(=O)O MOL1997
-CCCCNC(=O)C1C2C=CC(O2)C1C(=O)O MOL1998
-O=C1OC(=O)C2=C1C1C=CC2O1 MOL1999
-CC(C)=CC1C(C(=O)N2CCCCCC2)C1(C)C MOL2000
-O=S(=O)(O)c1ccc(N=Nc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1 MOL2001
-COc1ccc(N=Nc2cc(OC)c(N=Nc3c(O)nc4ccccc4c3O)cc2OC)cc1 MOL2002
-Cc1cc(N=Nc2c(O)nc3ccccc3c2O)ccc1N=Nc1ccc(C(=O)N(C)C)cc1 MOL2003
-Nc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4ccc5c(O)c(N=Nc6cccc(N)c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1 MOL2004
-Cc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)cc1 MOL2005
-Cc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc6cc(S(=O)(=O)O)ccc6c5)c(S(=O)(=O)O)cc4c3)ccc2c1O MOL2006
-COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(N=Nc6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c(C)cc1N MOL2007
-O=C1OCSc2ccccc21 MOL2008
-CCCC1OC(=O)c2ccccc2S1 MOL2009
-O=C(OCc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1 MOL2010
-NNC(=S)NNC(N)=O MOL2011
-CC(=O)Nc1cc(OCC(=O)O)ccc1S(=O)(=O)c1ccc(OCC(=O)O)cc1NC(C)=O MOL2012
-CCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1OC(=O)CC(C)C MOL2013
-CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3c[nH]cn3)CCC12 MOL2014
-CC1CC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC2(C)C1(C)O MOL2015
-COc1ccc(C2CC(=O)c3c(cc(OC)c(O)c3OC)O2)cc1 MOL2016
-CC12CCC3=NCCCN3C1=CCC1C2CCC2(C)C1CCC2(C)O MOL2017
-C=CP(=S)(c1ccccc1)c1ccccc1 MOL2018
-O=c1c2cc3c(=O)n(-c4ccccc4Cl)c(=O)c3cc2c(=O)n1-c1ccccc1Cl MOL2019
-C1CCC(NC2CCCCC2)CC1.COC1C(OC(=O)C=CC=CC=CC=CC(=O)O)CCC2(CO2)C1C1(C)OC1CC=C(C)C MOL2020
-Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O MOL2021
-O=C(Nc1ccc(C2=NC3CCCCC3N2)cc1)c1ccc(C(=O)Nc2ccc(C3=NC4CCCCC4N3)cc2)cc1 MOL2022
-CC(=O)NC(=N)NC#N MOL2023
-COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(C)=O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1 MOL2024
-N=c1[nH][nH]c(=N)[nH]1.O=C(O)C(=O)O MOL2025
-CC12COP(OC1)OC2 MOL2026
-C1C2CC3CC1OP(O2)O3 MOL2027
-O=c1c(O)c(-c2ccccc2)oc2ccccc12 MOL2028
-O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 MOL2029
-CC1(c2ccc(Cl)cc2)OCC(CCl)O1 MOL2030
-CCO.COc1cccc(C(O)C(CN2CCCCC2)CN2CCCCC2)c1 MOL2031
-CC(=O)Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2 MOL2032
-Cc1cc(N=Nc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccc(S(=O)(=O)O)cc23)ccc1N=Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 MOL2033
-CC(NCCNC(C)C(=O)O)C(=O)O MOL2034
-O=C(O)CNCCCCCCNCC(=O)O MOL2035
-CCCC(NCCCCCCNC(CCC)C(=O)O)C(=O)O MOL2036
-Clc1cc(Cl)c(NN=C(c2ccccc2)c2ccccc2)c(Cl)c1 MOL2037
-CCC(C)c1c(N)o[nH]c1=O MOL2038
-CCC(C)c1c(NC(C)=O)o[nH]c1=O MOL2039
-CCC(C)c1c(NC(=O)c2ccccc2)o[nH]c1=O MOL2040
-CCC(C)c1c(NS(=O)(=O)c2ccc(C)cc2)o[nH]c1=O MOL2041
-CCCCCn1cnc2c(S)nc(N)nc21 MOL2042
-CNP1(NC)=NP(NC)(NC)=NP(NC)(NC)=NP(NC)(NC)=N1 MOL2043
-CN(c1ccccc1)P1(Cl)=NP(Cl)(Cl)=NP(Cl)(N(C)c2ccccc2)=NP(Cl)(Cl)=N1 MOL2044
-CCCCCNP1(NCCCCC)=NP(NCCCCC)(NCCCCC)=NP(NCCCCC)(NCCCCC)=NP(NCCCCC)(NCCCCC)=N1 MOL2045
-Cc1cccc(NP2(Nc3cccc(C)c3)=NP(Nc3cccc(C)c3)(Nc3cccc(C)c3)=NP(Nc3cccc(C)c3)(Nc3cccc(C)c3)=NP(Nc3cccc(C)c3)(Nc3cccc(C)c3)=N2)c1 MOL2046
-CCCCCCCCCCCCNP(=S)(NCCCCCCCCCCCC)NCCCCCCCCCCCC MOL2047
-Nc1ccc(S(N)(=O)=O)cc1SSc1cc(S(N)(=O)=O)ccc1N MOL2048
-Cn1ncc(=O)[nH]c1=S MOL2049
-Cn1c(=O)cn[nH]c1=O MOL2050
-COP(=O)(OC)Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl MOL2051
-CCc1ccc(C2=C(O)C(=O)C(c3ccccc3)=C(O)C2=O)cc1 MOL2052
-Nc1ccc(C=Cc2ccnc3ccccc23)cc1 MOL2053
-COc1ccc(C=Cc2ccc3ccccc3n2)cc1OC MOL2054
-CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C MOL2055
-CC(=NNC(=O)CCSCCC(=O)NN=C(C)c1ccc(OS(C)(=O)=O)cc1)c1ccc(OS(C)(=O)=O)cc1 MOL2056
-C[N+]1(CC(=O)c2ccc(O)c(O)c2)CCOCC1 MOL2057
-CCOC(=O)c1cnc(SCc2ccc(Cl)c(Cl)c2)nc1N1CC1C MOL2058
-CCOC(Cc1c(N)nc(S)nc1O)OCC MOL2059
-O=C(O)C1(O)CC(O)C(O)C(O)C1 MOL2060
-O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C1O MOL2061
-O=C1c2ccc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O MOL2062
-COc1c(O)cc2c(c1O)C(=O)C1=C(CCCC1)C2=O MOL2063
-COc1ccc2c(c1)CN(C(C)C1CCC3C4CCC5CC(O)CCC5(C)C4CCC31C)CO2 MOL2064
-C=CC[PH](CC=C)(c1ccccc1)c1ccccc1 MOL2065
-COC1(c2ccccc2)OC(=O)c2ccccc21 MOL2066
-Nc1on[n+](-c2ccccc2)c1-c1ccccc1 MOL2067
-CC1(C)OC2C3CC(C2O1)C1C3C2(Cl)CC1(Cl)C(Cl)=C2Cl MOL2068
-CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(C(F)(F)F)cc2)cc1 MOL2069
-CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(OC)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL2070
-CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(OCCN3CCCCC3)cc2)cc1 MOL2071
-Nc1nc(SCc2ccccn2)c2ncn(C3CCCC3)c2n1 MOL2072
-CCCCn1[nH]c(=O)ccc1=O MOL2073
-CN(C)C(=S)SSC(=S)N(C)C MOL2074
-O=C1NNC(=O)C2C3C=CC(O3)C12 MOL2075
-CCC(C)C1C(=N)NOC1=O MOL2076
-CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1 MOL2077
-CC(N)CNCC(C)N MOL2078
-CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)nc(O)nc1O MOL2079
-NC(=O)c1nnsc1-c1ccco1 MOL2080
-COC1=NC2=NCCN2C(OC)=N1 MOL2081
-C(#CCN1CCCC1)CCCN1CCCC1 MOL2082
-CCN(CC)CP(CN(CC)CC)CN(CC)CC MOL2083
-OC1CCC(C#CC#CC2CCC(O)CC2)CC1 MOL2084
-CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL2085
-O=C(O)CN(CC(=O)O)CC(O)CN(CC(=O)O)CC(=O)O MOL2086
-C=CCOCC(O)CNCC(O)COCC=C MOL2087
-CCOC(=O)NC(C)(C)CN(CCO)C(=O)OCC MOL2088
-Cc1cccc(C(=O)c2cccc3ccccc23)c1C(=O)O MOL2089
-Oc1ccc(Cl)cc1Cc1ccccc1 MOL2090
-CCOc1ccc2nc(NC(=O)CC(C)=O)sc2c1 MOL2091
-CNC(c1ccncc1)C(NC)c1ccncc1 MOL2092
-O=P(N1CC1)(N1CC1)N1CC2CCC(CC2)C1 MOL2093
-O=C(O)CSCCOCCSCC(=O)O MOL2094
-N=c1cc(O)[nH][nH]1 MOL2095
-CC1CCOS(=O)O1 MOL2096
-Oc1ccc2ccccc2c1Br MOL2097
-CCCCCCCCC(O)C(O)CCCCCCCC(=O)O MOL2098
-[O-][n+]1c2c([n+]([O-])c3ccccc31)-c1cccc3cccc-2c13 MOL2099
-FC(F)(F)C(F)(F)c1nnc(C(F)(F)C(F)(F)F)o1 MOL2100
-O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1 MOL2101
-O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1 MOL2102
-Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1 MOL2103
-O=C1C2C3C=CC(O3)C2C(=O)N1N=Cc1ccc2c(c1)OCO2 MOL2104
-O=C1C2C3C=CC(O3)C2C(=O)N1N=CC(O)C(O)C(O)C(O)CO MOL2105
-CC1(C)C(C#N)C(=O)NC(=N)C1C(N)=O MOL2106
-CCOCC(Br)C(OCC)OCC MOL2107
-C=CCOc1ccc2c(C)cc(=O)oc2c1C MOL2108
-C=CCc1cc2c(C)cc(=O)oc2c(C)c1OC(C)=O MOL2109
-COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(C)C)c2n1 MOL2110
-COC1OC(CO)C(O)C2NCSC12 MOL2111
-CC12CCC(O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(O)CO MOL2112
-Cc1nc(C2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)co1 MOL2113
-ClC1OC(Cl)(Cl)C(Cl)(Cl)OC1(Cl)Cl MOL2114
-N=c1[nH]c(=N)c2cnnn2[nH]1 MOL2115
-O=C(O)Cc1sc(=O)[nH]c1O MOL2116
-Cc1cc(O)n2nnnc2n1 MOL2117
-CCOc1ccc2c(C)cc(=O)oc2c1 MOL2118
-COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O MOL2119
-COC(=O)C=CC(=NNc1ccccc1)c1ccccc1 MOL2120
-CC(=O)C(C(c1ccccc1)N1CCCc2ccccc21)N1CCOCC1 MOL2121
-c1ccc(CNC2C(c3ccccc3)=NN(c3ccccc3)C2c2ccccc2)cc1 MOL2122
-Cc1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1C MOL2123
-CCOC(=O)C(CN1CCN(CC(NC=O)(C(=O)OCC)C(=O)OCC)CC1)(NC=O)C(=O)OCC MOL2124
-O=C(Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)ccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c1C2=O)c1ccccc1 MOL2125
-CC1=CC(C)S(=O)(=O)C1 MOL2126
-NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL2127
-Cc1cc(C)c2cnnn2n1 MOL2128
-OCC(O)C1OC(c2ccco2)OC(CO)C1O MOL2129
-CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C(O)C(O)C(O)CO MOL2130
-O=C(Nc1ncnc2c1ncn2C1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)C(COC(=O)c2ccc([N+](=O)[O-])cc2)O1)c1ccccc1 MOL2131
-COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)C(=NO)CC12 MOL2132
-CC1CC2(O)C3CC(F)C4=CC(=O)CCC4(C)C3C(O)CC2(C)C1(O)C(=O)CO MOL2133
-CSc1nc(SC)c(Nc2cccc(C)c2)c(SC)n1 MOL2134
-CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O MOL2135
-O=C1C=CC(=Nc2ccc3c(c2)Cc2ccccc2-3)O1 MOL2136
-CC(SC(C)C(=O)NN=Cc1c[nH]c2ccccc12)C(=O)NN=Cc1c[nH]c2ccccc12 MOL2137
-O=CC1(c2ccccc2)NC(=O)NC1=O MOL2138
-CN1C(=O)NC(C=O)(CCc2ccccc2)C1=O MOL2139
-COc1ccc(C2(C(OC)OC)NC(=O)N(C)C2=O)cc1 MOL2140
-COc1ccc(CCC2(C(OC)OC)NC(=O)NC2=O)cc1 MOL2141
-CN1C(=O)C(Br)SC1=S MOL2142
-N=C1NC(=O)C(CC(=O)c2ccc(Cl)cc2)S1 MOL2143
-CN1C(=O)C(C(C)(C)C2SC(=S)N(C)C2=O)SC1=S MOL2144
-CC1CN(C(=O)CCOS(C)(=O)=O)C(C)CN1C(=O)CCOS(C)(=O)=O MOL2145
-CCOP(=O)(CC(=O)NC(C(N)=O)C(C)C)OCC MOL2146
-O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC2)c1 MOL2147
-Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1 MOL2148
-NNc1ncnc(NN)c1Br MOL2149
-O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 MOL2150
-O=C(Nc1nccs1)c1ccc(C(=O)Nc2nccs2)cc1 MOL2151
-CN=C(NC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)NC)c(C)c3)cc2)cc1C MOL2152
-Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1Br MOL2153
-Nc1ccc(S(=O)(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 MOL2154
-O=C(O)c1ccc[n+](CC(=O)c2ccc(O)c(O)c2)c1 MOL2155
-COc1ccc(C(C(N)=O)N(C)C)cc1 MOL2156
-CC(C)CCCC(C)C1CCC2C3CCC(=O)C(C)(CCCNCCO)C3CCC12C MOL2157
-CC(C)CCCC(C)C1CCC2C3CCC4CC5(CC4(C)C3CCC12C)Nc1ccccc1S5 MOL2158
-CC1(C)OCC2OC3OC(C)(C)OC3C(OS(C)(=O)=O)C2O1 MOL2159
-COc1cc(C2c3cc4c(cc3CCN2C(=O)c2ccccc2)OCO4)cc(OC)c1OC MOL2160
-CC12C(=O)OC(=O)C1(C)C1CCC2O1 MOL2161
-C[N+]1([O-])C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 MOL2162
-CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 MOL2163
-CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I MOL2164
-CCN(CC)c1ccc2c(C)cc(=O)oc2c1 MOL2165
-CC(=O)Oc1cc(O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc2c1 MOL2166
-COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 MOL2167
-CC1(C)COC(c2ccccc2Cl)N1 MOL2168
-O=C1OC(=O)C2=C1CCc1ccccc12 MOL2169
-O=C1OC(c2ccccc2)(c2ccccc2)c2ccc3ccc(F)cc3c21 MOL2170
-Cc1ccc2c(c1)C1(c3ccc(Cl)cc3)Oc3ccc(C)cc3C(c3ccc(Cl)cc3)(O2)O1 MOL2171
-O=C1C(Cl)=C(O)C2(Cl)C(Cl)=C(Cl)C12Cl MOL2172
-CN(C)c1ccc(N=O)c(O)c1 MOL2173
-C=CCNC(=S)NNC(=S)NCC=C MOL2174
-COc1ccccc1OCC(O)CO MOL2175
-Cc1cc(=O)oc2c(C)c(O)ccc12 MOL2176
-Cc1cc2c(cc1C)NC(=O)CC(=O)N2 MOL2177
-CCC1C(=O)N(C)c2ccccc21 MOL2178
-CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)O)cc1 MOL2179
-C=C(C)P(=O)(OC(C)CCl)OC(C)CCl MOL2180
-OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 MOL2181
-Cn1c(=O)c2nc(NN)[nH]c2n(C)c1=O MOL2182
-Cn1c(N)c(N)c(=O)[nH]c1=O MOL2183
-Cc1ccc(C)n1CCN1CCNCC1 MOL2184
-O=S1(=O)OC2CCCCC2O1 MOL2185
-O=S1(=O)OC2CCCCC2O1 MOL2186
-O=S(=O)(O)c1cc2cc(S(=O)(=O)O)c(O)cc2cc1O MOL2187
-COc1ccc(-c2c(C)c(C(=O)O)nc(-c3ccc4c(O)c(OC)c5c(c4n3)=NC(C)(C)N=5)c2N)c(O)c1OC MOL2188
-CCSC(=O)NNc1nc2ccccc2s1 MOL2189
-CN(C)Cc1c[nH]c2ncnc(O)c12 MOL2190
-Nc1nc(O)nc(Nc2ccc(Cl)c(Cl)c2)c1N=O MOL2191
-C(=Nc1ccc(C2=NCCN2)cc1)c1ccc(C=Nc2ccc(C3=NCCN3)cc2)cc1 MOL2192
-O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(NC(=S)Nc2ccc(C3=NCCN3)cc2)c1 MOL2193
-O=C(O)C(O)C(O)C(=O)O MOL2194
-CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C MOL2195
-Cc1cccc2c3c(ccc12)C(=O)OC3=O MOL2196
-N=C(N)SCCCN MOL2197
-COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC MOL2198
-Nc1ccc(SSc2ccc(N)cc2)cc1 MOL2199
-C#CC1(O)CCC2C3CC(O)C45CC4CCC5(C)C3CCC21C MOL2200
-CC1(O)CC23CCC4C(CC=C5CC(O)CCC54C)C2CCC13 MOL2201
-CCOC(=O)C(Cc1c[nH]c2ccc(N)cc12)(NC(C)=O)C(=O)OCC MOL2202
-Cc1cc(N)cc(C)[n+]1[O-] MOL2203
-CS(=O)(=O)OCC1OCOC1COS(C)(=O)=O MOL2204
-Nn1c(Cc2ccccc2)nnc1Cc1ccccc1 MOL2205
-CN(C)C(=S)Nc1ccc(Cl)cc1 MOL2206
-O=[N+]([O-])C(Cl)C(Cl)c1ccc(Cl)cc1 MOL2207
-O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(O)c1 MOL2208
-NC(=O)c1cc(C=Cc2ccccc2)on1 MOL2209
-CCCCC(O)(Cc1ccccc1)c1ccc(OCCN(CC)CC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL2210
-CCN(CC)CCOc1ccc(C(C#N)=C(c2ccccc2)c2ccccc2)cc1 MOL2211
-CC12CCC3C(CC(O)C45CC4CCC35C)C1CCC21C=CC(=O)O1 MOL2212
-COc1ccc(C=CC(=O)OCC=Cc2ccc3c(c2)OCO3)cc1OC MOL2213
-CCOP(=O)(OCC)c1ccc[nH]1 MOL2214
-ON(CCc1ccccn1)CCc1ccccn1 MOL2215
-CS(=O)(=O)c1nc(N)nc2[nH]cnc12 MOL2216
-CCN(CC)CCn1c(C)nc2c1C(=O)c1nc(C)n(CCN(CC)CC)c1C2=O MOL2217
-CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(Br)C(O)CC21C MOL2218
-CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C MOL2219
-O=c1c(Cl)c(Cl)cnn1CCCl MOL2220
-CCOc1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1C(=O)Nc1ccc(C2=NCCN2)cc1 MOL2221
-O=C(Nc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccc(C4=NCCN4)cc3)ccc2C(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)ccc1C(=O)Nc1ccc(C2=NCCN2)cc1 MOL2222
-O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Br)c1 MOL2223
-O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cc(NC(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)O)c1 MOL2224
-O=C(Nc1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1)c1ccc(C2=NCCN2)cc1 MOL2225
-O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1 MOL2226
-O=C(Nc1ccc(C2=NCCN2)cc1)c1cncc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1 MOL2227
-N#Cc1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12 MOL2228
-Cc1c(O)c2ccccc2oc1=O MOL2229
-C=C(C)Cn1c(=O)n(CC(=C)C)c(=O)n(CC(=C)C)c1=O MOL2230
-C=CC(=O)N1CN(C(=O)C=C)CN(C(=O)C=C)C1 MOL2231
-CC(CCC(=O)O)CCC(=O)O MOL2232
-Cc1nc2ccccc2nc1-c1ccc(N=[N+]([O-])c2ccc(-c3nc4ccccc4nc3C)cc2)cc1 MOL2233
-CC(=NO)C1CCC2C3CCC4=CC(=NO)CCC4(C)C3C(=O)CC12C MOL2234
-CCC(CC)(CC(=O)O)CC(=O)O MOL2235
-O=C1CCC2(CCCCC2)N1 MOL2236
-Sc1nc2ccccc2nc1S MOL2237
-N#CC1(c2ccccc2)CCNCC1 MOL2238
-CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)CCC2CCCC2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O MOL2239
-CC(=O)O.CCC(N)Cc1c[nH]c2ccccc12 MOL2240
-CC1C2CCC3C4CC(=O)C56CC5CCC6(C)C4CCC32CN1C MOL2241
-CCC1(C)CC(=O)NC1=O MOL2242
-Cc1c2ccccc2n[c-](CN2CCOCC2)[n+]1=O MOL2243
-Cc1c2ccccc2n[c-](CSCCO)[n+]1=O MOL2244
-Cc1ccccc1SC[c-]1nc2ccccc2c(C)[n+]1=O MOL2245
-Cc1cccc(SC[c-]2nc3ccccc3c(C)[n+]2=O)c1 MOL2246
-Cc1ccc(SC[c-]2nc3ccccc3c(C)[n+]2=O)cc1 MOL2247
-Cc1c2ccccc2n[c-](CSc2nc3ccccc3s2)[n+]1=O MOL2248
-Cc1c2ccccc2n[c-](CS(=O)c2ccccc2)[n+]1=O MOL2249
-Cc1c2ccccc2n[c-](CS(=O)(=O)c2ccccc2)[n+]1=O MOL2250
-Cc1c2ccccc2n[c-](CSOCCO)[n+]1=O MOL2251
-Cc1c2ccccc2n[c-](CS(=O)(=O)CCO)[n+]1=O MOL2252
-Cc1c2ccccc2n[c-](CS(C)=O)[n+]1=O MOL2253
-Cc1c2ccccc2n[c-](CS(C)(=O)=O)[n+]1=O MOL2254
-Cc1c2cc(Br)ccc2n[c-](CCl)[n+]1=O MOL2255
-Cc1c2ccccc2n[c-](CSc2n[nH]c(=S)s2)[n+]1=O MOL2256
-Cc1c2ccccc2n[c-](CN2CCCCC2)[n+]1=O MOL2257
-Cc1c2ccccc2n[c-](CSCC(O)CO)[n+]1=O MOL2258
-OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1 MOL2259
-c1ccc([PH](CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL2260
-CC1CN1SSN1CC1C MOL2261
-CC1=NS(=O)(O)=c2cc(Cl)ccc2=N1 MOL2262
-CN(C)C1C(O)=C(C(=O)NCNC(CO)(CO)CO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL2263
-CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C MOL2264
-COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O MOL2265
-CN(C)C1C(O)=C(C(=O)NCNC(CCS(C)=O)C(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL2266
-CN(C)C1C(O)=C(C(=O)NCNC2(C(=O)O)CCCC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL2267
-CN1CCC(OC(c2ccccc2)c2ccc(Cl)cc2)C1.O=C(O)C=CC(=O)O MOL2268
-Cn1c(=O)c2c(nc(NN=Cc3cccc(Br)c3)n2C)n(C)c1=O MOL2269
-NC(=O)C(c1ccccc1)N1CCCCC1 MOL2270
-CCOC(=O)C(C)(C(C)=O)c1nc(S)nc(S)n1 MOL2271
-Cc1ccc(=O)n(Cc2ccccc2)n1 MOL2272
-COc1cc[c-](C)[n+](=O)n1 MOL2273
-CSc1nnc(N(C(C)C)C(C)C)c2nc[nH]c12 MOL2274
-CSc1nnc(O)c2[nH]cnc12 MOL2275
-OCCNc1nnc(NCCO)c2[nH]cnc12 MOL2276
-Clc1ccc(CSc2nnc(SCc3ccc(Cl)c(Cl)c3)c3[nH]cnc23)cc1Cl MOL2277
-C=CCSc1nnc(S)c2[nH]cnc12 MOL2278
-O=C(O)CSc1nnc(S)c2[nH]cnc12 MOL2279
-COc1cc2nncc(SCc3ccc(Cl)c(Cl)c3)c2cc1OC MOL2280
-Sc1nncc(SCc2ccccc2)c1SCc1ccccc1 MOL2281
-O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1-c1ccccc1 MOL2282
-c1ccc2c(N3CC3)nncc2c1 MOL2283
-CN(C)c1ccc(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 MOL2284
-CN(C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O MOL2285
-CN(C)CCN1C(=O)C2(C)C3CCC(O3)C2(C)C1=O MOL2286
-CCN(CC)CCNCC(O)CN1CCN(C)CC1 MOL2287
-CC(C)(c1cc(Cl)c(O)c(CN2CCOCC2)c1)c1cc(Cl)c(O)c(CN2CCOCC2)c1 MOL2288
-CC(C)C(O)S(=O)(=O)O MOL2289
-COC(=O)c1ccc(N2CCOS(=O)OCC2)cc1OC(=O)c1ccccc1 MOL2290
-N=C(NN)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)NN)cc3)cc2)cc1 MOL2291
-CCC(=O)OC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(OC(=O)CC)CCC3C12 MOL2292
-C(=Cc1ccnc2ccccc12)c1cccs1 MOL2293
-C(=Cc1ccnc2ccccc12)c1ccc2c(c1)OCO2 MOL2294
-COc1ccc(C=Cc2ccnc3ccccc23)cc1OC MOL2295
-CN1CCCc2cc(C=Cc3ccnc4ccccc34)ccc21 MOL2296
-CCOc1ccc(C=Cc2ccnc3ccccc23)cc1OCC MOL2297
-COc1ccc(-c2coc3cc(OC)c(OC)c(OC)c3c2=O)cc1 MOL2298
-CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1 MOL2299
-CCN(CC)CCOc1ccc(C(C#N)=Cc2cccc3ccccc23)cc1 MOL2300
-CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc3ccccc3c2)cc1 MOL2301
-CCC(=C(C#N)c1ccc(F)cc1)c1ccc(OCCN(CC)CC)cc1 MOL2302
-CCC(=C(C#N)c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL2303
-CCC(=C(C#N)c1ccc(Cl)cc1)c1ccc(OCCN(CC)CC)cc1 MOL2304
-CCCCCCCSc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1 MOL2305
-CCSc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1 MOL2306
-CCN(CC)CCOc1cccc(C=C(C#N)c2ccccc2)c1 MOL2307
-CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(N(CC)CC)cc2)cc1 MOL2308
-CCN(CC)CCOc1ccc(C(C#N)=Cc2ccccc2OCCN(CC)CC)cc1 MOL2309
-CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(SC(C)C)cc2)cc1 MOL2310
-CCN(CC)CCOc1ccc(C(C#N)=Cc2ccc(OCCO)cc2)cc1 MOL2311
-CC12CCC(O)CC1=CCC1C2CCC2(C)C3=NN=CC3CC12 MOL2312
-CC12CCC3C(CCC4CC(O)CCC43C)C1Cc1cc3ccccc3nc12 MOL2313
-Oc1ncc2[nH]c(=S)[nH]c2n1 MOL2314
-O=C1C(=NO)C(c2ccccc2)Oc2ccccc21 MOL2315
-Nc1c(-c2ccccc2)oc2ccccc2c1=O MOL2316
-COc1ccc(-c2cc(=O)c3ccccc3o2)c(OC)c1OC MOL2317
-CC(NCCCCCCNC(C)C(=O)O)C(=O)O MOL2318
-Oc1cc(O)cc(-c2c(O)cc(O)cc2O)c1 MOL2319
-CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3[nH]cnc23)OC1C(O)CO MOL2320
-O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 MOL2321
-C1CN(SSN2CCOCC2)CCO1 MOL2322
-N=c1[nH]c(=S)ss1 MOL2323
-CC1OC1C(=O)C1(O)C(C)C(O)C23OC2(C(O)c2c(O)cccc2C3=O)C1O MOL2324
-OCC1OC(n2cnc3cncnc32)C(O)C1O MOL2325
-Cc1cc2c(cc1C)NC(C)CC(=O)N2 MOL2326
-COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C MOL2327
-Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1 MOL2328
-Nc1o[nH]c(=O)c1-c1ccccc1 MOL2329
-O=c1[nH]n(CCc2ccccn2)c(=O)c2ccccc12 MOL2330
-O=c1[nH]n(CCc2ccncc2)c(=O)c2ccccc12 MOL2331
-Nc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O MOL2332
-O=C=[Fe]12(C3=CCC=C3)C(=O)[Fe]1(=C=O)(C1C=CC=C1)C2=O MOL2333
-Cc1ccc2[nH]c3c(c2c1)[n+]([O-])c1ccccc1[n+]3[O-] MOL2334
-CC(=O)Nc1cc(S(=O)(=O)O)cc2c(N=Nc3ccc(C(=O)Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)cc3)c(S(=O)(=O)O)cc(O)c12 MOL2335
-COc1ccc(OC)c(N=Nc2cc(OC)c(N=Nc3c(O)nc4ccccc4c3O)cc2Cc2ccccc2C(=O)O)c1 MOL2336
-Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3)c(S(=O)(=O)O)cc2c1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 MOL2337
-Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O MOL2338
-O=C(Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2c(S(=O)(=O)O)cc(O)c3c(NC(=O)c4ccccc4)cc(S(=O)(=O)O)cc23)cc1 MOL2339
-Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc([N+](=O)[O-])cc5)c(N)c4c3O)cc2)cc1 MOL2340
-Cc1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2)c1N MOL2341
-O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1 MOL2342
-O=C(Nc1ccc(Sc2ccc(N=Nc3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)cc1 MOL2343
-CCOc1ccc(Nc2ccc(N=Nc3c(N)c(C)cc(N=Nc4ccc(-c5ccc(N=Nc6ccc(O)c(C(=O)O)c6)cc5)cc4)c3N)cc2S(=O)(=O)O)cc1 MOL2344
-CCCCCCCCCCCCCCCC(O)S(=O)(=O)O MOL2345
-O=S(=O)(O)c1cc2onnc2c2ccccc12 MOL2346
-COc1c(OC)c(OC)c2c(c1OC)OC(c1ccc(O)cc1)CC2=O MOL2347
-CCN(CC)CCCC(C)Nc1ccnc2cc(F)ccc12.CCN(CC)CCCC(C)Nc1ccnc2cccc(F)c12 MOL2348
-Nc1ncc(N)c(N)n1 MOL2349
-O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1 MOL2350
-CCSC(CC(O)C(O)C(O)CO)SCC MOL2351
-CCOC(=S)SC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL2352
-COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1OC MOL2353
-NNc1cnnc(O)c1Cl MOL2354
-Oc1cnnc2ccc(F)cc12 MOL2355
-Sc1ccc2nncc(S)c2c1 MOL2356
-CSc1ccc2nncc(SC)c2c1 MOL2357
-S=c1[nH]c2c(S)nnc(S)c2n1Cc1ccccc1 MOL2358
-CCOc1cnn(-c2ccccc2)c(=O)c1Cl MOL2359
-O=c1c(Cl)c(N2CCOCC2)cnn1-c1ccccc1 MOL2360
-Fc1ccc2nncc(SCc3ccc(Cl)c(Cl)c3)c2c1 MOL2361
-Fc1ccc2nncc(SCc3ccccc3Cl)c2c1 MOL2362
-Fc1ccc2nncc(SCc3ccc(Cl)cc3)c2c1 MOL2363
-Clc1ccccc1CSc1cnnc2ccccc12 MOL2364
-Clc1ccc(CSc2cnnc3ccccc23)cc1 MOL2365
-Fc1ccc2nncc(SCc3ccccc3)c2c1 MOL2366
-O=c1c(Cl)c(N2CCCCC2)cnn1-c1ccccc1 MOL2367
-Oc1cccc(C=Cc2cnnc3ccccc23)c1 MOL2368
-COc1cc2nncc(SCc3ccc(Cl)cc3Cl)c2cc1OC MOL2369
-COc1cc2nncc(SCc3ccccc3Cl)c2cc1OC MOL2370
-COc1cc2nncc(SCc3ccc(Cl)cc3)c2cc1OC MOL2371
-COc1cc2nncc(SCc3ccccc3)c2cc1OC MOL2372
-COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 MOL2373
-COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1 MOL2374
-CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 MOL2375
-CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccccc1 MOL2376
-O=c1c(SCc2ccc(Cl)cc2)c(N2CCOCC2)cnn1-c1ccccc1 MOL2377
-O=c1c(SCc2ccccc2)c(N2CCOCC2)cnn1-c1ccccc1 MOL2378
-Clc1ccccc1CSc1ccc2nncc(SCc3ccccc3Cl)c2c1 MOL2379
-Clc1ccc(CSc2ccc3nncc(SCc4ccc(Cl)cc4)c3c2)cc1 MOL2380
-Clc1ccc(CSc2ccc3nncc(SCc4ccc(Cl)cc4Cl)c3c2)c(Cl)c1 MOL2381
-Clc1ccc(CSc2ccc3nncc(SCc4ccc(Cl)c(Cl)c4)c3c2)cc1Cl MOL2382
-c1ccc(CSc2ccc3nncc(SCc4ccccc4)c3c2)cc1 MOL2383
-O=c1c(SCc2ccc(Cl)cc2)c(N2CCCCC2)cnn1-c1ccccc1 MOL2384
-O=c1c(SCc2ccccc2)c(N2CCCCC2)cnn1-c1ccccc1 MOL2385
-O=c1c(SCc2ccc(Cl)cc2Cl)c(SCc2ccc(Cl)cc2Cl)cnn1-c1ccccc1 MOL2386
-O=c1c(SCc2ccc(Cl)c(Cl)c2)c(SCc2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 MOL2387
-O=c1c(SCc2ccc(Br)cc2)c(SCc2ccc(Br)cc2)cnn1-c1ccccc1 MOL2388
-O=c1c(SCc2ccccc2Cl)c(SCc2ccccc2Cl)cnn1-c1ccccc1 MOL2389
-O=c1c(SCc2ccc(Cl)cc2)c(SCc2ccc(Cl)cc2)cnn1-c1ccccc1 MOL2390
-O=c1c(SCc2ccccc2F)c(SCc2ccccc2F)cnn1-c1ccccc1 MOL2391
-O=c1c(SCc2cccc(F)c2)c(SCc2cccc(F)c2)cnn1-c1ccccc1 MOL2392
-O=c1c(SCc2ccc(F)cc2)c(SCc2ccc(F)cc2)cnn1-c1ccccc1 MOL2393
-Fc1ccc(CSc2cnnc(SCc3ccc(F)cc3)c2SCc2ccc(F)cc2)cc1 MOL2394
-Clc1cc2nncc(N3CC3)c2cc1Cl MOL2395
-Clc1ccc2nncc(N3CC3)c2c1 MOL2396
-O=[N+]([O-])c1ccc2nncc(N3CC3)c2c1 MOL2397
-O=[N+]([O-])c1cccc2c(N3CC3)cnnc12 MOL2398
-O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1 MOL2399
-Oc1ccc(-c2ccc(O)cc2O)c(O)c1 MOL2400
-CC1=Nc2cc(C)c(C)cc2NC(=O)C1 MOL2401
-NS(=O)(=O)c1ccc(NC(=O)C=CC(=O)O)cc1 MOL2402
-Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12 MOL2403
-COc1ccccc1-c1cc(=O)c2ccc(OC)c(OC)c2o1 MOL2404
-CN(C)C(=S)Sc1nsc(SC(=S)N(C)C)n1 MOL2405
-N=C(N)NN=CC(Cl)(Cl)Cl MOL2406
-CCC(C)(C)c1ccc(OP(=S)(S)Oc2ccc(C(C)(C)CC)cc2)cc1 MOL2407
-O=C1CC2(c3ccccc3)CCCCC2=NN1 MOL2408
-CN1C(=N)NC(=O)C1=Cc1ccccc1 MOL2409
-CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O MOL2410
-O=C1NC(=O)C(=Cc2ccc(F)cc2)N1 MOL2411
-O=C1CCS(=O)(=O)O1 MOL2412
-Cc1ccccc1S(=O)(=O)OC1NS(=O)(=O)c2ccccc21 MOL2413
-O=C1c2ccccc2C(=O)N1N1C(=O)c2ccccc2C1=O MOL2414
-O=[N+]([O-])c1ccc2[nH]nnc2c1 MOL2415
-O=Nc1ccccc1 MOL2416
-C1CCc2nnnn2CC1 MOL2417
-Cc1cc(Br)ccc1Nc1nc(N)nc(N)c1N=O MOL2418
-Nc1nc(N)c(N=O)c(Nc2ccc(Br)c(Br)c2)n1 MOL2419
-COc1ccc(NC2(Br)C(=O)NC(=O)NC2C(=O)O)cc1 MOL2420
-Cc1ncc(CO)c(CO)c1S MOL2421
-C=CC(C)=CC(C)C(=O)CC(O)CC1CC(=O)NC(=O)C1 MOL2422
-Cn1cc(C(N)=O)ccc1=N MOL2423
-COc1ccc2c(c1)C(=O)C1NC(=O)NC(=O)C1(Br)N2 MOL2424
-O=C1NC(=O)C2(Br)Nc3ccc(Br)cc3C(=O)C2N1 MOL2425
-CNC(=NCCCOC)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCCCOC)NC)cc3)c([N+](=O)[O-])c2)cc1 MOL2426
-CN1CCN=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=NCCN4C)cc3)cc2)cc1 MOL2427
-CNC(=N)c1ccc(NC(=N)c2cccc(C(=N)Nc3ccc(C(=N)NC)cc3)c2)cc1 MOL2428
-CC1CN=C(c2ccc(NC(=O)Nc3cc(C(=O)Nc4ccc(C5=NCC(C)N5)cc4)ccc3C(=O)Nc3ccc(C4=NCC(C)N4)cc3)cc2)N1 MOL2429
-O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)c([N+](=O)[O-])c1 MOL2430
-NCC(=O)NC1(C(=O)O)CCCC1 MOL2431
-O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1 MOL2432
-CC(CC(C)=NNC(=N)N)=NNC(=N)N.O=S(=O)(O)O MOL2433
-N=C(N)NN=C(c1ccccc1)c1ccccc1 MOL2434
-N=C(N)NN=C(c1ccccc1)C(O)c1ccccc1 MOL2435
-CS(=O)(=O)OCC1OS(=O)OC1COS(C)(=O)=O MOL2436
-C1CCC(N=C(NC2CCCCC2)N2CCOCC2)CC1 MOL2437
-CN(N=Cc1ccccc1Cl)C(c1ccccc1Cl)N(C)N=Cc1ccccc1Cl MOL2438
-CN(CN(C)N=Cc1ccc(Cl)cc1)N=Cc1ccc(Cl)cc1 MOL2439
-CCOC(=O)N=NC(C)(C)OC(C)=O MOL2440
-CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O MOL2441
-Cc1nc2nc(S)nc(O)c2nc1O MOL2442
-NCCc1nc2ccccc2[nH]1 MOL2443
-Cc1cc(C(=O)Nc2ccc(NC3=NCCN3)cc2)c(C)cc1C(=O)Nc1ccc(NC2=NCCN2)cc1 MOL2444
-O=C1N(CO)C2C(N1CO)N(CO)C(=O)N2CO MOL2445
-CN(C)Cc1cc(CN(C)C)cc(CN(C)C)c1 MOL2446
-N=C(N)NN=C1CCCCC1 MOL2447
-COC1OC(CO)C(N=C(C)C)C1O MOL2448
-CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1.O=S(=O)(O)O MOL2449
-COc1cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC MOL2450
-CN(C)C1C(O)=C(C(=O)NCNc2nc(O)c3[nH]nnc3n2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL2451
-N=C(Cc1ccc(Cl)cc1)NO MOL2452
-CC(=O)Nc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccccc3)c2N)cc1 MOL2453
-Nc1c(CCc2ccccn2)ccc2ccccc12 MOL2454
-CCCCCCCCCCCCOc1ccc(C(=NNC(=N)N)c2ccccc2)c(O)c1 MOL2455
-N=C(N)NN=Cc1ccc[nH]1 MOL2456
-C1CCC2(CC1)SSSC1(CCCCC1)SS2 MOL2457
-COC(=O)N(CO)CO MOL2458
-c1ccc([PH](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1 MOL2459
-CS(=O)(=O)Nc1ccc2oc(=O)c3ccccc3c2c1 MOL2460
-CC1CNC(CCc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CCC5=NC(C)CN5)cc4)cc3)cc2)=N1 MOL2461
-O=C(Nc1ccc(CCC2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(CCC3=NCCCN3)cc2)cc1 MOL2462
-O=C(Nc1ccc(C2=NCCCN2)cc1)c1ccc(NC(=O)c2ccc(C3=NCCCN3)cc2)cc1 MOL2463
-O=C(Nc1ccc(C(=O)Nc2ccc(C3=NCCCN3)cc2)cc1)Nc1ccc(C2=NCCCN2)cc1 MOL2464
-Oc1on[n+](-c2ccccc2)c1C=NNc1ncnc2[nH]cnc12 MOL2465
-CSCCC(N)CO MOL2466
-O=C1c2ccccc2-c2nc3ccccc3nc21 MOL2467
-CN(C)c1ccc(C=C2CC(C)(C)c3ccccc3C2=O)cc1 MOL2468
-CN1C(=O)C(N=Nc2ccc([N+](=O)[O-])cc2)SC1=S MOL2469
-COc1c(OC)c(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c(OC)c1OC MOL2470
-CN(C)CCCN1C(=O)C2CCC(C)(C1=O)C2(C)C MOL2471
-CC1CCCN(CC(O)CN2CCN(CC(O)CN3CCCC(C)C3)CC2)C1 MOL2472
-COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2C(C3)N(C)CC4)cc1OC MOL2473
-CCC=NNC(=N)N.O=P(O)(O)O MOL2474
-CCCS(=O)(=O)C=CS(=O)(=O)CCC MOL2475
-Cn1c(=O)c2ncnnc2n(C)c1=O MOL2476
-CCCC(C)(O)CN MOL2477
-Cc1ccc(NP2(=O)N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1 MOL2478
-CCC(C)C1(C2CCCC2)NC(=O)NC1=O MOL2479
-CC(C)=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O MOL2480
-c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=N2)cc1 MOL2481
-O=[N+]([O-])c1ccccc1Nc1ccccc1[N+](=O)[O-] MOL2482
-CC(SC(C)C(=O)NN=Cc1ccc(B(O)O)cc1)C(=O)NN=Cc1ccc(B(O)O)cc1 MOL2483
-S=C(N1CC1)N1CC1 MOL2484
-O=c1cc(CO)[nH]cc1O MOL2485
-COc1nnc(C)c2[nH]c(=S)[nH]c12 MOL2486
-Oc1nncc2c1Sc1cnnc(O)c1S2 MOL2487
-NNc1cnn(-c2ccccc2)c(=O)c1Cl MOL2488
-C=C(C)COc1ccc(C2OCC(CC)C(CCC)O2)cc1 MOL2489
-Clc1cc(Cl)c2nncc(N3CC3)c2c1 MOL2490
-Clc1cccc2c(N3CC3)cnnc12 MOL2491
-Clc1cccc2nncc(N3CC3)c12 MOL2492
-NC(Cn1ccc(=O)c(O)c1)C(=O)O MOL2493
-N=C(N)NN=C1C=C(O)C(=NNC(=N)N)C=C1O MOL2494
-CC(C=NNC(=N)N)=NNC(=N)N.N#CS MOL2495
-CC12CCC(O)CC1=CCC1C2CCC2(C)C1CCC2N(CCO)CCO MOL2496
-CN(C)C1C(O)=C(C(=O)NCNCCCO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O MOL2497
-CN(C)C1C(O)=C(C(=O)NCNC(CO)(CO)CO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O MOL2498
-CN(C)C1C(O)=C(C(=O)NCNC(C=O)C(O)C(O)C(O)CO)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O MOL2499
-CN(C)C1C(O)=C(C(=O)NCNCCC(=O)O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12.CS(=O)(=O)O MOL2500
-CC(O)C(NCNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)c1c(O)cccc1C3(C)O)C(=O)O.CS(=O)(=O)O MOL2501
-Clc1ccc2c(c1)nnn1nccc21 MOL2502
-C[n+]1ccc(Nc2ccc(O)cc2)c2ccc(Cl)cc21 MOL2503
-NCCN1C(=O)c2ccccc2C1(O)c1ccccc1 MOL2504
-O=C(Nc1ccc(N=C(Nc2ccccc2)c2ccccc2)cc1)c1ccc(C(=O)Nc2ccc(N=C(Nc3ccccc3)c3ccccc3)cc2)cc1 MOL2505
-O=C(O)c1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(C(=O)O)cc1C(=O)Nc1ccc(C2=NCCN2)cc1 MOL2506
-CN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)N4CCOCC4)cc3)c(Cl)c2)cc1)N1CCOCC1 MOL2507
-CCN=C(c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCC)N(CC)CC)cc3)cc2)cc1)N(CC)CC MOL2508
-Fc1ccc(C=NN=C(NN=Cc2ccc(F)cc2)NN=Cc2ccc(F)cc2)cc1 MOL2509
-Clc1ccc(C=NN=C(NN=Cc2ccc(Cl)cc2Cl)NN=Cc2ccc(Cl)cc2Cl)c(Cl)c1 MOL2510
-N=C(NN=Cc1ccc2c(c1)OCO2)NN=Cc1ccc2c(c1)OCO2 MOL2511
-CCOC(=O)Cc1c[nH]c2ccc(N(CCO)CCO)cc12 MOL2512
-CCOP(=O)(OCC)C(C)(C)N.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 MOL2513
-C=CC(C)NC(=S)NNC(=S)NC MOL2514
-CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CC(O)C(=O)O2 MOL2515
-CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(Cl)C(Cl)CC21C MOL2516
-N=C(NN=Cc1cccc2ccccc12)NN=Cc1cccc2ccccc12 MOL2517
-N=C(NN=Cc1cc(Cl)ccc1O)NN=Cc1cc(Cl)ccc1O MOL2518
-CS(=O)(=O)ON=c1cc(-c2ccccc2)oc2ccccc12 MOL2519
-CS(=O)(=O)NC1C(=O)c2ccccc2OC1c1ccccc1 MOL2520
-CS(=O)(=O)Nc1c(-c2ccccc2)oc2ccccc2c1=O MOL2521
-c1ccc(CN2CCC3(CC2)SSC2(CCN(Cc4ccccc4)CC2)SS3)cc1 MOL2522
-c1ccc(CN2CCC3(CC2)SSC2(CCN(Cc4ccccc4)CC2)S3)cc1 MOL2523
-CC1=CC(=Nc2cccc3c(N=C4C=C(C)C(=O)O4)cccc23)OC1=O MOL2524
-Cc1ncc([N+](=O)[O-])n1CCO MOL2525
-COc1ccc(C=Cc2ccnc3ccccc23)cc1 MOL2526
-COc1ccc(OC)c(C=Cc2ccnc3ccccc23)c1 MOL2527
-COc1cc(C=Cc2ccnc3ccccc23)cc(OC)c1OC MOL2528
-CC(C(=O)O)[S+]1CCOCC1 MOL2529
-CN1C(=O)C(=NNC(N)=S)c2ccccc21 MOL2530
-CC(=O)OC1CCC2C3C(C)CC4=CC(=O)CCC4C3CCC12C MOL2531
-c1ccc2sc(SN3CCOCC3)nc2c1 MOL2532
-Cl[Pd-4]12([S+]=c3nc[nH]c4[nH]cnc34)([S+]=C3N=CNc4[nH]c[n+]1c43)[S+]=C1N=CNc3[nH]c[n+]2c31 MOL2533
-CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OCCCC MOL2534
-CCCCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 MOL2535
-Nc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2 MOL2536
-CCOC(=O)C(CCC1OCCO1)C(C)=O MOL2537
-CCOC(CCc1c(C)nc(NC(C)=O)nc1O)OCC MOL2538
-CC(=O)Nc1nc(Cl)c2ncn(C3CCCO3)c2n1 MOL2539
-[N-]=[N+]=C1C(=O)NC(=O)N2C3CC(O)C(COC12)O3 MOL2540
-CCCCNc1cc(Nc2ccc(Br)cc2)nc(N)n1 MOL2541
-CC1CNC(Cc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(CC5=NC(C)CN5)cc4)cc3)cc2)=N1 MOL2542
-O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(F)c(C(=O)Nc2ccc(C3=NCCN3)cc2)c1 MOL2543
-O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 MOL2544
-S=c1[nH]nc2ccccn12 MOL2545
-COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 MOL2546
-O=C(NN1CCCCCC1)NS(=O)(=O)c1ccc(Cl)cc1 MOL2547
-Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1 MOL2548
-CC(=NO)C1CCC2C3CCC4CC(=NO)CCC4(C)C3C(C)(O)CC12C MOL2549
-O=C(O)c1ccccc1C(=O)NC(Cc1cccc(NP(=O)(N2CC2)N2CC2)c1)C(=O)O MOL2550
-O=C(O)c1ccccc1C(=O)NC(Cc1cccc(NP(=O)(NCCO)NCCO)c1)C(=O)O MOL2551
-O=C1NC(=O)C(=Cc2cccnc2)C(=O)N1 MOL2552
-O=C1C=Cc2cccc3c2c1nc1c(O)c2ccccc2cc13 MOL2553
-O=C1CCCC2C3CC(CN12)C1CC(O)CCN1C3 MOL2554
-COC(=O)C1c2cc3c(c(O)c2C(OC2OC(C)C(OC)C(C)(OC)C2OC)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O MOL2555
-O=P1(Nc2ccccc2)NCCCO1 MOL2556
-CCCCCCC1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 MOL2557
-Clc1ccc(CNCCCNCc2ccc(Cl)c(Cl)c2)cc1Cl MOL2558
-O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O MOL2559
-N=C(CCCCC(=N)NO)NO MOL2560
-CC(C)NS(=O)(=O)c1ncnc2[nH]cnc12 MOL2561
-O=S(=O)(OCCCCOS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 MOL2562
-Cn1cnc2ncnc-2c1N MOL2563
-Cc1cc2c(c3oc(C4(C)OC4C4OC4C)cc(=O)c13)C(=O)c1c(O)c(C3CC(C)(N(C)C)C(O)C(C)O3)cc(C3CC(N(C)C)C(O)C(C)O3)c1C2=O MOL2564
-CCCCNc1nc(N)nc(Nc2ccc(Br)cc2)c1N=O MOL2565
-C=C1CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC2(C)C1(OC(C)=O)C(C)=O MOL2566
-CN1C(=O)C(=NNC(N)=S)c2ccccc21 MOL2567
-N=C(NO)C(F)(F)C(F)(F)C(F)(F)C(=N)NO MOL2568
-N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MOL2569
-COc1cc(SSc2cc(OC)cc([N+](=O)[O-])c2N)c(N)c([N+](=O)[O-])c1 MOL2570
-O=C(Nc1ccc([N+](=O)[O-])cc1)OCC(COc1ccccc1)OC(=O)Nc1ccc([N+](=O)[O-])cc1 MOL2571
-NCCSSCCCCSSCCN MOL2572
-Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 MOL2573
-CCC1NC2CC3(C(=O)N(OC)c4ccccc43)C3CC1C2CO3 MOL2574
-Cc1ncc(CCl)c2c1OC(C)(C)OC2 MOL2575
-COc1ccc(C2Oc3ccccc3C(=O)C2N)cc1 MOL2576
-ClC(Cl)=CC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl MOL2577
-O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(F)c1 MOL2578
-Nc1nc(S)c2ncn(C3CC(O)C(CO)O3)c2n1 MOL2579
-CSc1nc(C)cc(Nc2ccc(O)c(CN3CCCCC3)c2)n1 MOL2580
-[O-][n+]1ccccc1CCN(O)Cc1ccccc1 MOL2581
-CC1CCC(C(C)C2C(O)CC3C4CCC5CC(O)CCC5(C)C4CCC32C)NC1 MOL2582
-COc1ccc(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c1 MOL2583
-COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c(OC)c1 MOL2584
-COc1cc(OC)cc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)c1 MOL2585
-Nc1c(O)nc(O)nc1S(=O)(=O)O MOL2586
-O=C(CNC(=O)c1cnc2ccccc2n1)NCCCNC(=O)CNC(=O)c1cnc2ccccc2n1 MOL2587
-[Se]=c1[nH]c2ccccc2o1 MOL2588
-N#Cc1c(N)nc(N)nc1Nc1ccc(I)cc1 MOL2589
-O=C(O)CS[As]1SCCS1 MOL2590
-C=CCC(C)(O)CCC(O)(CC=C)CC=C MOL2591
-CCCC(C)(O)CCC(O)(CCC)CCC MOL2592
-OCC1OC(O)C(N=CC=Cc2ccccc2)C(O)C1O MOL2593
-CCOc1ccc(NC2OC(CO)C(O)C(O)C2NC(C)=O)cc1 MOL2594
-CN1C(=S)NC2C(O)C(O)C(CO)OC21 MOL2595
-N#CCC(C#N)N1CCOCC1 MOL2596
-O=C(O)COc1ccc(Cl)cc1Cc1cc(Cl)ccc1OCC(=O)O MOL2597
-Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl MOL2598
-CC1CC(C)(C)OC(c2ccco2)O1 MOL2599
-CC(O)CN1C(=O)C2C3C=CC(C3)C2C1=O MOL2600
-C=C(C)C(CCC(=O)O)(CCC(=O)O)C(C)=O MOL2601
-CCCCCN(CCCCC)CC(=O)OCC1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12 MOL2602
-CCOC(=O)C1OC1C1CCCc2ccccc21 MOL2603
-CCOC(=O)C(C)(CCC(C)(C(=O)OCC)C(=O)OCC)C(=O)OCC MOL2604
-Nc1nc(N)c(-c2cccc(C(F)(F)F)c2)c(Cc2cccc(C(F)(F)F)c2)n1 MOL2605
-Cc1ccc2ccc(-c3cc4ccccc4s3)nc2c1 MOL2606
-COc1ccc(C(O)C2c3c(cc4c(c3OC)OCO4)CCN2C)c(CO)c1OC.O=C(O)C(O)C(O)C(=O)O MOL2607
-Nc1c(C(=O)O)c2nc3c(CO)cccc3oc-2cc1=O MOL2608
-Cc1ccc(S(=O)(=O)OC2COCOC2C2OCOC3COCOC32)cc1 MOL2609
-N=C(N)NN=C(c1ccc(F)cc1)C1CC1 MOL2610
-NC(=O)CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 MOL2611
-CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O MOL2612
-Clc1ccc(CNCCCNCc2ccc(Cl)cc2Cl)c(Cl)c1 MOL2613
-CN(C)NC(=S)C(F)(F)C(F)(F)F MOL2614
-N=C(Nc1ccccc1)C(F)(F)F MOL2615
-N=C(NNS(=O)(=O)c1ccccc1)C(F)(F)F MOL2616
-COC1=CC(=C(c2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)C=CC1=O MOL2617
-CC(C)C1=CC2=CCC3C(C)(COC(=O)COc4ccccc4)CCCC3(C)C2CC1 MOL2618
-Nc1nc(S)c2ncn(C3CC(O)C(CO)O3)c2n1 MOL2619
-O=S(=O)(O)CCCCO MOL2620
-CN(C)CCOc1cccc(OCCN(C)C)n1 MOL2621
-Cn1c(=O)c2nc(SSc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)[nH]c2n(C)c1=O MOL2622
-O=C1NC2(CCCC2)C(=O)N2CCCC12 MOL2623
-NC1(C(=O)N2CCCC2C(=O)O)CCCC1 MOL2624
-Cc1cc2c(-c3ccccc3)c3cc(C)c(N)cc3nc2cc1N MOL2625
-CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 MOL2626
-Nc1nc(Cl)nc(Cl)n1 MOL2627
-Brc1ccccc1-c1nnc(-c2cccc3ccccc23)o1 MOL2628
-O=S1(=O)CCCCO1 MOL2629
-O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 MOL2630
-CN(C)CCCN1CCC2(CCCCC2)CC1 MOL2631
-C=CCc1cc(CN2CCN(C)CC2)c(O)c(OC)c1 MOL2632
-CC1CN(C=O)CC(C)N1CCN1C(C)CN(C=O)CC1C MOL2633
-Cc1nc(C(=O)O)c(C(=O)O)[nH]1 MOL2634
-COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21 MOL2635
-CCC1CN2CCC3(C(=O)Nc4ccccc43)C2CC1C(=COC)C(=O)OC MOL2636
-CCC1CN2CCc3c([nH]c4ccccc34)C2CC1C(=COC)C(=O)OC MOL2637
-CCN(CC)CCCCCCNc1cc(C)cc2cccnc12.O=C(O)C(=O)O MOL2638
-CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc3oc(=O)ccc3c2)cc1 MOL2639
-N=C(N)Nc1ccc2oc(=O)ccc2c1 MOL2640
-O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O MOL2641
-OCC1(CO)CSSC1 MOL2642
-O=C(O)C1CC(C(=O)O)SS1 MOL2643
-Oc1cc2c(Cl)cccc2nn1 MOL2644
-Oc1cc2ccc(Cl)cc2nn1 MOL2645
-COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC12 MOL2646
-CC(C)OP(=O)(CCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)OC(C)C MOL2647
-CC(=O)C12OC(C)(c3ccco3)OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C MOL2648
-CC(C=NNC(=N)N[N+](=O)[O-])=NNC(=N)N[N+](=O)[O-] MOL2649
-CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.N=C(N)SC(c1ccccc1)C(O)c1ccccc1 MOL2650
-Cn1c(N)c(Br)c(=O)n(C)c1=O MOL2651
-CCOC(=O)C(=O)NNc1cc(=O)n(C)c(=O)n1C MOL2652
-Cn1c(=O)c2c(=O)c(=O)[nH][nH]c2n(C)c1=O MOL2653
-O=C(Nc1ccc(C2=NCCN2)cc1)C1CCC(C(=O)Nc2ccc(C3=NCCN3)cc2)CC1 MOL2654
-O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c1Cl MOL2655
-CSc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)ccc1C(=O)Nc1ccc(C2=NCCN2)cc1 MOL2656
-CCOP(=O)(C=C(Cl)c1ccccc1)OCC MOL2657
-CCOP(=O)(C=Cc1ccccc1)OCC MOL2658
-Nc1nc(N)c(Br)c(Nc2ccc(Cl)c(Cl)c2)n1 MOL2659
-N=C(N)NN=Cc1ccc(C2CCNCC2)cc1 MOL2660
-CNc1ncnc2nc(C)c(C)nc12 MOL2661
-Nc1c(C(=O)Nc2ccc(C3=NCCN3)cc2)cccc1C(=O)Nc1ccc(C2=NCCN2)cc1 MOL2662
-O=C(Nc1ccc(OCC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(OCC3=NCCN3)cc2)cc1 MOL2663
-O=C(Nc1ccc(CC2=NCCCN2)cc1)c1ccc(C(=O)Nc2ccc(CC3=NCCCN3)cc2)cc1 MOL2664
-Cc1cccc(NP2(=O)NCCCN2)c1 MOL2665
-CCOC(=O)C(CO)NC(=O)C1(NC(C)=O)CCCC1 MOL2666
-COC(=O)c1ccccc1NC(c1ccccn1)c1ccc2cccnc2c1O MOL2667
-Oc1ccccc1C(Nc1nc2ccccc2s1)c1ccc2cccnc2c1O MOL2668
-CN(C)CCC(O)(Cc1ccccc1)c1cccc(Cl)c1 MOL2669
-CCN(CC)CC(C)C(O)(c1ccc(Cl)cc1)C1CCCCC1 MOL2670
-OC(CCN1CCOCC1)(c1cccc(Cl)c1)C1CCCCC1 MOL2671
-CC(CN1CCCC1)C(O)(Cc1ccccc1)c1ccc(Cl)cc1 MOL2672
-CCC1(N)COC(c2ccccc2)OC1 MOL2673
-Cc1ccc(N2CN(c3ccc(C)cc3)CC(C)(N)C2)cc1 MOL2674
-O=C(c1ccc(OC(=O)c2ccccc2O)cc1)c1ccc(OC(=O)c2ccccc2O)cc1 MOL2675
-C=CCc1ccccc1OP(=O)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1 MOL2676
-O=C(N1CCCC1)C1(c2cccc(Cl)c2)CCNCC1 MOL2677
-COC(=O)C1C(=O)C(C(=O)OC)C2CCC1N2C MOL2678
-C[N+]1([O-])C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 MOL2679
-Cc1nc(N)nc(O)c1CCCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 MOL2680
-CN1C2CCC1C(C(=O)O)C(O)C2.Cc1ccc(S(=O)(=O)O)cc1 MOL2681
-COc1cc2c(cc1OC)C13CCN4CC5CCOC6CC(=O)N2C1C6C5CC43 MOL2682
-N=C(N)CCNC(=O)C1CCC(=N)N1.O=S(=O)(O)O MOL2683
-CCNC(=Nc1cccc(C2=NCCN2)c1)c1ccc(C(=Nc2cccc(C3=NCCN3)c2)NCC)cc1 MOL2684
-O=C(O)N=NC(=O)O MOL2685
-CC(=O)Nc1ncc(Sc2ccc([N+](=O)[O-])cc2)s1 MOL2686
-c1ccc2c(c1)Nc1ccccc1O2 MOL2687
-Cc1ccccc1NC1(C#N)CCN(Cc2ccccc2)CC1 MOL2688
-N#CC1C(=N)Cc2ccccc2-c2ccccc21 MOL2689
-ON=C(C1CC1)C1CC1 MOL2690
-C[N+]1([O-])CCOCC1 MOL2691
-O=C1c2cccc3cccc(c23)C(=O)N1c1nccs1 MOL2692
-NC(=S)NN=C(C1CC1)C1CC1 MOL2693
-O=C(CCc1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1 MOL2694
-CN(C)c1nc(N)nc(Nc2ccc(Br)cc2)c1N=O MOL2695
-COc1ccc(NC(=S)NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 MOL2696
-Cc1cc(C)nc(NC(=N)NCCc2ccccc2)n1 MOL2697
-COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc([N+](=O)[O-])ccc2O)cc1 MOL2698
-O=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O MOL2699
-CCOC(=O)C(C)C(CCC#N)(C(=O)OCC)C(=O)OCC MOL2700
-CC(=O)C1=C(O)C(N)C2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)C2(O)C1=O.CCCCCCCCCCCCOS(=O)(=O)O MOL2701
-O=NN1CN2CN(C1)CN(N=O)C2 MOL2702
-O=P1(Cc2ccccc2)OC2CC(Cl)CC(C2)O1 MOL2703
-CN(C)CCCNC(=N)N.O=S(=O)(O)O MOL2704
-O=c1c2ccccc2nnn1N1CCOCC1 MOL2705
-OCCOCC#CCOCCO MOL2706
-CC(=O)Nc1ccc2oc(=O)ccc2c1 MOL2707
-COc1cc(-c2ccc(Nc3ccccc3C(=O)O)c(OC)c2)ccc1Nc1ccccc1C(=O)O MOL2708
-c1ccc2cc3c(cc2c1)Cn1c-3nc2ccccc21 MOL2709
-O=C(O)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 MOL2710
-Cc1nc(O)nc(O)c1N(CCF)CCCl MOL2711
-COc1ccc(=O)n(C)n1 MOL2712
-NC(=O)NCCSC1CCCCC1O MOL2713
-NC(=O)NCCSC1(SCCNC(N)=O)CCCCC1 MOL2714
-CC(=O)OC1CC2OC3C=C(C)CCC3(C)C1(C)C21CO1 MOL2715
-CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CCCCC4(C)C3CCC21C MOL2716
-CCCCCCCCCCCCC(C(=O)O)C(=O)O MOL2717
-CCCCCCCCCCCCCCC(C(=O)O)C(=O)O MOL2718
-CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O MOL2719
-CCCCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O MOL2720
-C(=C(c1ccccc1)c1ccccc1)N1CCOCC1 MOL2721
-O=C(CN1CCCCC1)c1ccc(CCc2ccc(C(=O)CN3CCCCC3)cc2)cc1 MOL2722
-CC(CNNC(=N)N)NNC(=N)N.O=S(=O)(O)O MOL2723
-CNc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1 MOL2724
-CC1=NC(C)(CO)CO1 MOL2725
-Cc1c(C2(c3cc(C(C)C)c(O)c(CN(CC(=O)O)CC(=O)O)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1CN(CC(=O)O)CC(=O)O MOL2726
-NC(=S)NN=CC(F)(F)F MOL2727
-CC(C=NNc1ccc([N+](=O)[O-])cn1)=NNc1ccc([N+](=O)[O-])cn1 MOL2728
-CCN(CC)CCOc1ccc(S(=O)(=O)c2ccc(OCCN(CC)CC)cc2)cc1 MOL2729
-CCC(=C(CC)c1ccc(OCCCN2CCCCC2C)cc1)c1ccc(OCCCN2CCCCC2C)cc1 MOL2730
-CC12C(=O)OCC1C1CCC2C1 MOL2731
-CCCCCCCCCCNP(=S)(NCCCCCCCCCC)c1ccccc1 MOL2732
-S=C(Nc1ccc2cn[nH]c2c1)Nc1ccc2cn[nH]c2c1 MOL2733
-CCOc1ccc(-c2coc3cc(C)c(OCC)c(C)c3c2=O)cc1 MOL2734
-C1OC1CN1CCN(CC2CO2)CC1 MOL2735
-O=C1OCC(Cl)O1 MOL2736
-N#CNC(=N)Nc1ccc(Cl)cc1 MOL2737
-O=CNC(CSSCC(NC=O)C(=O)O)C(=O)O MOL2738
-N#CCN1CCCCCC1 MOL2739
-CC(CC(C)C)=NNc1nc(C)cc(O)n1 MOL2740
-CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12 MOL2741
-CCCCC(C=O)(C=C=C(C)C)CC MOL2742
-CC1(C)CSC(=S)N1 MOL2743
-CCOP(=O)(CC)OP(=S)(OCC)OCC MOL2744
-O=C(NCCCCCCNC(=O)c1ccccn1)c1ccccn1 MOL2745
-COc1cc(NCCN(CC(C)C)C(C)C(C)C)c2ncccc2c1 MOL2746
-Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1 MOL2747
-COc1ccc(C=CC(CC(NO)c2ccc(OC)cc2)=NO)cc1 MOL2748
-CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2c(Cl)cc(Cl)cc12 MOL2749
-O=S(=O)(Sc1ccccc1)c1ccccc1 MOL2750
-O=S(=O)(Cc1ccccc1)SCc1ccccc1 MOL2751
-O=c1c2ccccc2c(=O)c2c1cc(Cl)c1[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 MOL2752
-CC(=O)C(C)(O)C(OP(=O)(O)O)c1ccccc1 MOL2753
-CC[PH](CC)(C1=C(O)C(=O)C(Cl)=C(Cl)C1=O)c1ccccc1 MOL2754
-c1ccc2c(c1)c1ccccc1c1nccnc21 MOL2755
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(Cl)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(Cl)cc3)c2c1O MOL2756
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3S)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3S)c2c1O MOL2757
-C=C(C)Cn1c(=O)c2c(ncn2C)n(C)c1=O MOL2758
-CC(=NNC(N)=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O MOL2759
-CCN(CC)CCCNc1cnnc2cc(Cl)ccc12 MOL2760
-O=C(OCCN1CCOCC1)c1cc2ccccc2oc1=O MOL2761
-CCN(CC)CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O MOL2762
-O=C(CCN1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O MOL2763
-N=C(NC(=N)Nc1cccc(S(=O)(=O)Nc2ncc(Cl)cn2)c1)Nc1ccc(Br)cc1 MOL2764
-C1CCCC(N2N=NC3C4CC(C5N=NN(C6CCCCCC6)C45)C32)CC1 MOL2765
-Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4N)cc3)cc2)c(N)c1 MOL2766
-C(COC1CC2CC1C1CC3OC3C21)OCCOC1CC2CC1C1CC3OC3C21 MOL2767
-Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3SSc3ccccc3N)c2c1O MOL2768
-O=C(O)c1cc2cc([N+](=O)[O-])ccc2oc1=O MOL2769
-N#CCCCCn1cnc2c(N)ncnc21 MOL2770
-O=C(CI)Nc1ccc2oc(=O)c(C(=O)O)cc2c1 MOL2771
-O=C(Nc1ccc2oc(=O)c(C(=O)O)cc2c1)Oc1ccccc1 MOL2772
-COc1cccc(C2CCCC(C#N)C2=N)c1OC MOL2773
-CC1(c2ccc3ccccc3c2)OC(=O)c2ccccc21 MOL2774
-Cc1cccc(C2OC(=O)c3c2ccc2ccccc32)c1 MOL2775
-Cc1cc(C(=O)c2ccccc2)c2oc(-c3ccccc3)c(Cl)c(=O)c2c1 MOL2776
-Cc1c(C)c(CC(C)(COS(C)(=O)=O)COS(C)(=O)=O)c(C)c(C)c1CC(C)(COS(C)(=O)=O)COS(C)(=O)=O MOL2777
-CC1(c2ccc3cccc(F)c3c2)OC(=O)c2ccccc21 MOL2778
-Cc1cc(C)c(-c2c(O)c(O)c(-c3ccccc3)c3ccccc23)c(C)c1 MOL2779
-OCCN(CCO)c1cc(Cl)c(Cl)cc1Cl MOL2780
-CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC MOL2781
-Sc1nnc2c(n1)[nH]c1ccccc12 MOL2782
-Brc1ccc2nncc(N3CC3)c2c1 MOL2783
-O=C(O)c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(c1ccccc1)c1ccccc1 MOL2784
-CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccccc1 MOL2785
-CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=NNC(N)=S)C1 MOL2786
-N=C(N)NN=CCC(O)CO MOL2787
-CC(CCO)=NNC(N)=S MOL2788
-COc1cc(OC)c(C(=O)C=Cc2ccc(OC)c(OC)c2)c(OC)c1 MOL2789
-CC12CCCC1C1CC=C3CC(SC4CCC5(C)C(=CCC6C7CCCC7(C)CCC65)C4)CCC3(C)C1CC2 MOL2790
-CC12CCCC1C1CC=C3CC(S)CCC3(C)C1CC2 MOL2791
-O=C(CCC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1 MOL2792
-O=C(O)c1cnnc2ccccc12 MOL2793
-CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1cc([N+](=O)[O-])c(NC(C)=O)cc1C2=O MOL2794
-O=C(O)CSCCCCSCC(=O)O MOL2795
-Cc1nnc2sc3ccccc3n12 MOL2796
-Clc1nnc(-c2ccccc2)s1 MOL2797
-CCOC(=O)c1ccc(N(CCC(CN)=NNC(N)=O)C(C)=O)cc1 MOL2798
-CC1(O)CCC2(CCC(C)(O)CC2=O)C(=O)C1 MOL2799
-ClC1=NSC(Cl)=NS1 MOL2800
-O=C(Nc1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1)Nc1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1 MOL2801
-Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)cc4)cc3)c(O)c2c1 MOL2802
-Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cccc(S(=O)(=O)O)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)ccc(N)c2c1O MOL2803
-CS(=O)(=O)c1ccc(N2CC2)nn1 MOL2804
-COc1ccc(C=Cc2ccc3ccccc3[n+]2C)cc1OC MOL2805
-O=S(OO)c1cc(Cl)c(O)c(Cl)c1 MOL2806
-COc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1 MOL2807
-O=C1c2ccccc2C(=O)C1c1ccc2c(ccc3ccccc32)n1 MOL2808
-O=S(=O)(O)c1cc(O)c2c(N=Nc3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(Nc6ccccc6)ccc5c4O)c4ccccc34)cc(S(=O)(=O)O)cc2c1 MOL2809
-Nc1ccc2nc3ccc(O)cc3nc2c1.[Na]S[Na] MOL2810
-Oc1nc2ccccc2c(O)c1N=Nc1cccc(C(F)(F)F)c1 MOL2811
-c1ccc2sc(SCN3CCCCC3)nc2c1 MOL2812
-O=C(Nc1ccc(NC(=O)c2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1 MOL2813
-Cc1cc(C)n2c(=O)[nH]nc2c1 MOL2814
-N=c1[nH]nc2ccccn12 MOL2815
-O=c1cccc2n1CC1CC2CN2CCCCC12 MOL2816
-CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CC(O)C43C)N2C1 MOL2817
-Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1N=Nc1ccc(N=Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2)c2cc(S(=O)(=O)O)ccc12 MOL2818
-N=C(N)SCCCON MOL2819
-COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 MOL2820
-Cn1c(=O)oc(=O)c2ccccc21 MOL2821
-CC1=NS(=O)(O)=c2cc(Cl)ccc2=N1 MOL2822
-CC1CN(C(=O)OCC23COC4(C)CCC(C)(OC2)N34)CC(C)O1 MOL2823
-Cc1ccc(C)n1N1CC(C)N(N=O)CC1C MOL2824
-C1CCN(C2OCCC2OC2OC3COC(N4CCCCC4)C3OC2N2CCCCC2)CC1 MOL2825
-Brc1cccc[n+]1Cc1ccccc1C[n+]1ccccc1Br MOL2826
-Brc1cccc[n+]1Cc1cccc(C[n+]2ccccc2Br)c1 MOL2827
-CCc1ccc(C(=NNC(N)=S)C2CC2)cc1 MOL2828
-c1ccc2sc(SCN3CCN(CSc4nc5ccccc5s4)CC3)nc2c1 MOL2829
-COc1ccc2c(c1)CCC1=C(C)C(=O)CCC12.COc1ccc2c(c1)CCC1=C2CCC(=O)C1C MOL2830
-CC(=O)NCCSS(=O)(=O)CCCCS(=O)(=O)SCCNC(C)=O MOL2831
-NC1(C(=O)O)CCCC1c1ccccc1 MOL2832
-NC1(C(=O)O)CCCCC1c1ccccc1 MOL2833
-COC1OC(CS)C(N)C1OS(C)(=O)=O MOL2834
-CN(C)N=C(SSC(=NN(C)C)C(F)(F)F)C(F)(F)F MOL2835
-FC(F)(F)C(=NNc1ccccc1)SSC(=NNc1ccccc1)C(F)(F)F MOL2836
-FC(F)(F)C(F)(F)C(=NNc1ccccc1)SSC(=NNc1ccccc1)C(F)(F)C(F)(F)F MOL2837
-COc1ccc(OC)c(C=Cc2ccccc2)c1 MOL2838
-COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(O)C(C)O2)C(O)C(C)O1 MOL2839
-Oc1ccccc1C=NNC(=S)Nc1ccc2c[nH]nc2c1 MOL2840
-COc1cc2c(cc1OC)C13CC[N+]4(C)CC5CCOC6CCN2C1C6C5CC34 MOL2841
-COc1cc2c(cc1OC)[N+]1(C)CCC3OCCC4C[N+]5(C)CCC26C5CC4C3C61 MOL2842
-CN1C2CCC1C(CO)C(O)C2 MOL2843
-CC(C)CCCC(C)C1CCC2C3CCC4CC5(CCC4(C)C3CCC12C)NCCCS5 MOL2844
-Cc1nnc2nc(-c3ccccc3)nc(-c3ccccc3)n12 MOL2845
-NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 MOL2846
-S=c1[nH][nH]c2nc(=Nc3ccccc3)nc(Nc3ccccc3)n12 MOL2847
-c1ccc(-c2nc(-c3ccccc3)n3c(-c4ccccc4)nnc3n2)cc1 MOL2848
-O=P1(C(c2ccccc2)c2ccccc2)OC2CC(Cl)CC(C2)O1 MOL2849
-O=C(Nc1ccc(C2=NCCN2)c(O)c1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)c(O)c2)cc1 MOL2850
-S=C(NCCNC(=S)S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL2851
-CCCCCCCCC=CCCCCCCCC(=O)N(C)N(C)C(=O)CCCCCCCC=CCCCCCCCC MOL2852
-N#CC(C#N)=CN MOL2853
-C1=Nc2ccccc2C1=Cc1c[nH]c2ccccc12 MOL2854
-CC1=Nc2ccccc2C1=Cc1c(C)[nH]c2ccccc12 MOL2855
-Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 MOL2856
-C(=Cc1c[nH]c2ccccc12)c1ccc2ccccc2n1 MOL2857
-COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC MOL2858
-Cn1c2c(c3ccccc31)CCN1CC3CCCCC3CC21 MOL2859
-COC1=C(N)C(=O)c2ncccc2C1=O MOL2860
-COC1=C(N)C(=O)C2=C(CCC(c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)N2)C1=O MOL2861
-Nc1ncn(Cc2ccccc2)c2ncnc1-2 MOL2862
-N=C(N)NS(N)(=O)=O MOL2863
-CC12C=CC(=O)C=C1C(F)CC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F MOL2864
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1C(C2)N(C)CC3 MOL2865
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3 MOL2866
-NCCCS(=O)(=O)O MOL2867
-CC1(C)COP(Oc2ccccc2)OC1 MOL2868
-O=[N+]([O-])c1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] MOL2869
-CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 MOL2870
-COc1cccc2c(=O)c3c(n(C)c12)OC(C(C)C)C3 MOL2871
-CC(C)=C1CCC(C)CC1=NNC(N)=S MOL2872
-O=[N+]([O-])c1ccc(O)c(C=NNC(=S)Nc2ccc(F)cc2)c1 MOL2873
-Fc1ccc(NC(=S)NN=Cc2c(Cl)cccc2Cl)cc1 MOL2874
-NC(=S)NN=CNN=CNNC(N)=S MOL2875
-CC1(C)Oc2ccc3ccc(=O)oc3c2C(O)C1O MOL2876
-COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 MOL2877
-CNNCc1ccc(C(=O)NC(C)C)cc1 MOL2878
-COc1ccc2oc(=S)[nH]c2c1 MOL2879
-O=S(=O)(O)CN(CCN(CS(=O)(=O)O)CS(=O)(=O)O)CS(=O)(=O)O MOL2880
-CCOC1(OCC)CS(=O)(=O)C1c1ccc([N+](=O)[O-])cc1 MOL2881
-CCOC1(OCC)CS(=O)(=O)C1c1ccccc1 MOL2882
-O=C1c2ccccc2C(=O)N1CCS(=O)(=O)CCS(=O)(=O)CCN1C(=O)c2ccccc2C1=O MOL2883
-CCOC(=O)C(CC#N)(NC(C)=O)C(=O)OCC MOL2884
-O=Nc1c(-c2ccccc2)nc2ncccn12 MOL2885
-O=Nc1c(-c2ccc(Cl)cc2)nc2ncccn12 MOL2886
-COc1ccc(-c2coc3c(OC)c(OC)c(OC)c(OC)c3c2=O)cc1 MOL2887
-COc1cc(NCCN)c2ncsc2c1 MOL2888
-CCCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12 MOL2889
-OC1CC(c2ccccc2)Oc2ccccc21 MOL2890
-Nc1ccc2c(O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7cc(Cl)ccc7Cl)c(N)c6c5O)cc4)cc3)c(S(=O)(=O)O)cc2c1 MOL2891
-Nc1ncnc2c1S(=O)(=O)NCN2 MOL2892
-CSc1nc(N)c2c(n1)NCNS2(=O)=O MOL2893
-COS(=O)(=O)c1c(N)n(C)c(=O)n(C)c1=O MOL2894
-O=P(c1ccccc1)(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 MOL2895
-c1ccc(P(OCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 MOL2896
-CCS(=O)(=O)CCOP(=O)(c1ccccc1)c1ccccc1 MOL2897
-Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 MOL2898
-c1nc(SSc2ncnc3[nH]cnc23)c2nc[nH]c2n1 MOL2899
-BrCC[N+]12CC[N+](CCBr)(CC1)C2 MOL2900
-C1CNCCN1.Oc1cc(Cl)c(Cl)cc1Cl MOL2901
-O=C(O)c1ccc2c[n+]3ccccc3cc2c1 MOL2902
-C(=Cc1c[nH]c2ccccc12)c1nccc2ccccc12 MOL2903
-Nc1cnnc(S)c1S MOL2904
-Fc1cccc2c(S)cnnc12 MOL2905
-Sc1cnnc2c(Cl)cccc12 MOL2906
-Sc1cnnc2c(Br)cccc12 MOL2907
-Fc1cccc2c(SCc3ccc(Cl)cc3Cl)cnnc12 MOL2908
-Clc1ccc(CSc2cnnc3c(Br)cccc23)c(Cl)c1 MOL2909
-[O-][n+]1c2c([n+]([O-])c3c4ccccc4ccc31)-c1cccc3cccc-2c13 MOL2910
-CN(C)C(=Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N=C(Nc4ccccc4)N(C)C)cc3)cc2)cc1)Nc1ccccc1 MOL2911
-N=C(N)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=N)N)cc3)c(N)c2)cc1 MOL2912
-O=C(Nc1ccc(C2=NCC(O)CN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCC(O)CN3)cc2)cc1 MOL2913
-CN1CCN=C1c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(C4=NCCN4C)cc3)cc2)cc1 MOL2914
-CCc1c(O)nc2ccc(N)cc2c1C MOL2915
-COc1ccc2c(c1)OC(=O)CC2c1ccc(OC)c(OC)c1 MOL2916
-CC(C)N1CCOC12CCCC2 MOL2917
-CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1 MOL2918
-CN(C)CCCCC1c2ccccc2Sc2ccccc21.O=C(O)C(=O)O MOL2919
-CCC1(CC2CCCN(C)C2)c2ccccc2Sc2ccccc21.O=C(O)C(=O)O MOL2920
-CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 MOL2921
-CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 MOL2922
-CNCCC=C1c2ccccc2CCc2ccccc21 MOL2923
-ClCCC1OC(CCCl)OC(CCCl)O1 MOL2924
-O=c1cc(-c2ccccc2)c2ccc(O)cc2o1 MOL2925
-BrCc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL2926
-Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL2927
-C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C12 MOL2928
-CCOC(=O)CC(NCCSS(=O)(=O)O)C(=O)OCC MOL2929
-O=S(=O)(O)SCCNCC(O)C(O)CNCCSS(=O)(=O)O MOL2930
-c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c[nH]c2c1 MOL2931
-Cc1c(C(c2[nH]c3ccccc3c2C)c2[nH]c3ccccc3c2C)[nH]c2ccccc12 MOL2932
-COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2O)cc1 MOL2933
-c1ccc([PH](Cc2ccccc2C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL2934
-Oc1ccc2c(c1)CC[N+]1=C2CCC2CCCC21 MOL2935
-COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)c(OC)c1 MOL2936
-COc1cc(N=Nc2c(O)nc3ccccc3c2O)c(OC)cc1N=Nc1ccccc1 MOL2937
-Cc1cc(N=Nc2cc(S(=O)(=O)O)c(N)cc2N)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 MOL2938
-Clc1cc(Cl)c2c(c1)[nH]c1nc3ccccc3nc12 MOL2939
-Cc1cc2nc3[nH]c4ccccc4c3nc2cc1C MOL2940
-Cc1ccc2[nH]c3nc4cc(C)c(C)cc4nc3c2c1 MOL2941
-COC(=O)C1CC23CCCN4CCC5(c6ccccc6N(C=O)C15CC2)C43 MOL2942
-COC(=O)C1CC23CCCN4CCC5(c6cccc(OC)c6N(C=O)C15CC2)C43 MOL2943
-COc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(C)cc1N=Nc1cc(S(=O)(=O)O)c(NC(=O)c2ccc(N)cc2)cc1NC(C)=O MOL2944
-Cc1cc(NC(=O)c2ccc(N)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3C)c(S(=O)(=O)O)cc2c1 MOL2945
-CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)O)cc1 MOL2946
-COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(NC(=O)c2ccc(N)cc2)cc1C MOL2947
-COc1cc(N=Nc2ccc(N=Nc3cc(NC(C)=O)c(N=Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(C)c2)c(C)cc1NC(=O)c1ccc(N)cc1 MOL2948
-Cc1cc(N=Nc2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)ccc4c3)cc2)c(N)c(N=Nc2ccc(N=Nc3ccc(O)c(C(=O)O)c3)cc2)c1N MOL2949
-Cc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1 MOL2950
-COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C MOL2951
-Cc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)ccc1N=Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3C)c(S(=O)(=O)O)cc2c1 MOL2952
-COc1cc(NC(=O)c2ccc(NC(=O)c3ccc(N)cc3)cc2)c(OC)cc1N=Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c(C)c1 MOL2953
-Nc1nc(O)c(N)c(C(=O)O)n1 MOL2954
-CCN(CC)c1nc(Cl)nc(C(N)=O)c1N MOL2955
-CCCCCCOC(=O)CC1CC(C(C)=O)C1(C)C MOL2956
-C=CCc1cc2c(cc1COCOCCOCCOCCCC)OCO2 MOL2957
-CCCCOCCOC(=O)C1C(C=C(C)C)C1(C)C MOL2958
-CC(C)C(=O)C(C)(C)C(=O)C(C)(C)C(=O)OC(C)(C)C MOL2959
-Cc1ccc(S(=O)(=O)NC(=N)NCCCC(NC(=O)OCc2ccccc2)C(=O)NC2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)cc1 MOL2960
-CCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1 MOL2961
-N=c1[nH]n2cnnc2s1 MOL2962
-Cc1n[nH]c(=S)n1NC=O MOL2963
-Cc1nnc2sc(=S)[nH]n12 MOL2964
-CCc1nnc2sc(=S)[nH]n12 MOL2965
-Cc1cc(C)n2c(C)nnc2c1 MOL2966
-CCc1nc2ccccn2n1 MOL2967
-O=C(CNC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1 MOL2968
-O=NN(CCCl)C(=O)NC1CCCCC1 MOL2969
-N#CCCN(CCC#N)Cc1c(O)c(O)c(CN(CCC#N)CCC#N)c2ccccc12 MOL2970
-c1ccc(CN2COc3c(ccc4c5c(ccc34)CN(Cc3ccccc3)CO5)C2)cc1 MOL2971
-c1ccc(CN2COc3c(c4c(c5ccccc35)OCN(Cc3ccccc3)C4)C2)cc1 MOL2972
-CC(Cl)CN1COc2c3c(c4ccccc4c2C1)CN(CC(C)Cl)CO3 MOL2973
-O=C(O)C1OC(n2cc([N+](=O)[O-])c(=O)[nH]c2=O)C(O)C1O MOL2974
-O=C1NCc2c(O)nc(O)nc21 MOL2975
-Nc1nc(O)c2c(n1)C(=O)NC2 MOL2976
-Nc1nc(N)c2c(n1)C(=O)N(Cc1ccccc1)C2 MOL2977
-N=C1NC2=C(CN(Cc3ccccc3)C2=O)C(c2ccccc2)N1 MOL2978
-COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc1 MOL2979
-Nc1ccccc1C=Cc1ccnc2ccccc12 MOL2980
-Nc1ccc(C=Cc2ccnc3ccccc23)c(N)c1 MOL2981
-Nc1ccc(C=Cc2ccc3ncccc3c2)cc1 MOL2982
-Nc1ccc(C=Cc2ccc3cccnc3c2)cc1 MOL2983
-Nc1ccc(C=Cc2cccc3cccnc23)cc1 MOL2984
-CCOC(=O)C(C#N)C(C)CC MOL2985
-Cc1cc2c(c3[nH]c4ccccc4c13)C(=O)c1ccccc1C2=O MOL2986
-CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 MOL2987
-c1ccc(C2OC23CCCCC3)cc1 MOL2988
-CN(C)Cc1ccccc1CCO MOL2989
-O=C1OC2(c3ccccc31)c1ccccc1-c1ccccc12 MOL2990
-O=C1OC2(CCCCC2)c2ccccc21 MOL2991
-CC(=O)NN1CCN(C)CC1 MOL2992
-O=C(CCCl)N1CCN(C(=O)CCCl)c2c1c1ccccc1c1ccccc21 MOL2993
-O=C(CNC1=NCCN1)Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(NC(=O)CNC4=NCCN4)cc3)cc2)cc1 MOL2994
-COC1OC2COC(c3ccccc3)OC2C(S)C1S MOL2995
-OCc1nnn(-c2ccccc2)c1CO MOL2996
-N=c1c2ccccc2c2ccccc2n1O MOL2997
-[O-][n+]1nc2ccccc2c2ccccc21 MOL2998
-c1ccc2c(c1)Cc1ccccc1-c1c-2[nH]c2ccccc12 MOL2999
-Cc1cc(N=Nc2c(N)c(C)cc(N=Nc3ccc(C(N)=O)cc3)c2N)ccc1N=Nc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1 MOL3000
-CC(=O)Nc1cc(N=Nc2ccc(NC(=O)c3ccc(N)cc3)cc2C)c(S(=O)(=O)O)cc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1 MOL3001
-Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)c2ccc(S(=O)(=O)O)cc12 MOL3002
-CCC(=O)OC1CCC2C3CCC(=O)OC3C(C)(CCC(=O)O)CC12C MOL3003
-Brc1cc2[nH]c(-c3ccccc3)c(Br)c2c(Br)c1Br MOL3004
-Cc1cnc2nc(N)nc(N)c2n1 MOL3005
-O=C(O)C1C2C=CC(C(C=Cc3ccccc3)N2)C1C(=O)O MOL3006
-CC(C)CC(C#N)C(N)=O MOL3007
-N#CC(Cc1ccccc1)C(N)=O MOL3008
-Cc1ccc(N=Nc2cc(C)c(N)c(N=Nc3ccc(N=Nc4cc(C(=O)O)c(O)c(S(=O)(=O)O)c4)c(C)c3)c2N)cc1 MOL3009
-Cc1cc(NS(=O)(=O)c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 MOL3010
-Cc1cc(N=Nc2ccc(Sc3ccc(N=Nc4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)c(N=Nc2ccc(C(=O)O)cc2)c1N MOL3011
-Cc1cc(NC(=O)c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)cc2)ccc1N=Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 MOL3012
-CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1ccc(C(=O)O)cc1 MOL3013
-CC(=O)Nc1cc(N=Nc2ccc(N=Nc3ccc(NC(=O)c4ccc(N)cc4)cc3C)cc2C)c(S(=O)(=O)O)cc1N=Nc1cccc(C(=O)O)c1 MOL3014
-COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(C(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(NC(=O)c2ccc(N)cc2)cc1C MOL3015
-Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6cccc([N+](=O)[O-])c6)c(N)c5c4O)cc3)cc2)c2cc(S(=O)(=O)O)ccc12 MOL3016
-Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c2cc(S(=O)(=O)O)ccc12 MOL3017
-Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(N=Nc7cccc([N+](=O)[O-])c7)c(N)c6c5O)cc4)cc3)c(O)c2c1 MOL3018
-Nc1c(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccccc6)c(O)c5c4N)cc3)cc2)ccc2c(S(=O)(=O)O)cccc12 MOL3019
-COc1cc(N=Nc2cc(NC(C)=O)c(N=Nc3ccc(C(=O)O)cc3)cc2S(=O)(=O)O)c(C)cc1N=Nc1cc(OC)c(NC(=O)c2ccc(N)cc2)cc1C MOL3020
-CN(C)c1ccc(C=C2C=Nc3ccccc32)cc1 MOL3021
-O=C1NC(=O)C(CCN2CCCCC2)(c2ccccc2)C(=O)N1 MOL3022
-O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12 MOL3023
-CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL3024
-O=P(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1 MOL3025
-COC1OCC(SC(=O)c2ccccc2)C(O)C1O MOL3026
-Cc1cc(N=Nc2ccccc2)ccc1NCS(=O)(=O)O MOL3027
-COc1cc(N=Nc2ccccc2)ccc1NCS(=O)(=O)O MOL3028
-NN1C(=O)c2cccc3cccc(c23)C1=O MOL3029
-Cc1n(C)c2c([n+]1Cc1ccccc1)C(=O)c1ccccc1C2=O MOL3030
-Cc1n(CC(C)C)c2c([n+]1CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C2=O MOL3031
-CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL3032
-Brc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1 MOL3033
-CC(C)CC(C#N)C(=O)O MOL3034
-COc1cc(OC)c(OC)cc1C=Cc1ccnc2ccccc12 MOL3035
-O=C(C=Cc1ccc(C=CC(=O)Nc2cccc(C3=NCCCN3)c2)cc1)Nc1cccc(C2=NCCCN2)c1 MOL3036
-COC1=C(N=[N+]=[N-])C(=O)c2ncccc2C1=O MOL3037
-O=C(O)C1CC2C3CC(C(=O)O)C(C3)C2C1 MOL3038
-O=C(O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 MOL3039
-BrCc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL3040
-BrCc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3041
-O=[N+]([O-])c1ccc(N=Nc2c(F)cc(NCS(=O)(=O)O)cc2F)cc1 MOL3042
-CCOC(=O)Nc1ccc2c(c1)C(=NNC(N)=S)c1ccccc1-2 MOL3043
-Sc1ccc2ccccc2c1CN1CCOCC1 MOL3044
-CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C MOL3045
-CC1(C)C(=O)c2cc3ccccc3nc2-c2ccccc21 MOL3046
-CC1(C)CC2C(=O)c3ccccc3NC2c2ccccc21 MOL3047
-CC1(C)c2ccccc2-c2nc3ccccc3c3c2C1OC3=O MOL3048
-ON=C1c2ccccc2-c2nc3ccccc3cc21 MOL3049
-Clc1ccccc1C=C1c2ccccc2-c2nc3ccccc3nc21 MOL3050
-CC(C)(S)C(N)C(=O)O MOL3051
-O=[N+]([O-])C=Cc1ccc(O)cc1 MOL3052
-CC(C(=O)O)C(C)(C)C(=O)O MOL3053
-CCN1C(=O)CSC1=S MOL3054
-Oc1cnnc2ccccc12 MOL3055
-CC(C)(C)c1cc(C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O MOL3056
-CC(C)(C)C1=CC(=C(c2ccccc2)c2ccccc2)C=C(C(C)(C)C)C1=O MOL3057
-CC(C)(C)C1=CC(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O MOL3058
-Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2 MOL3059
-CNCc1c(S)ccc2ccccc12 MOL3060
-CC(F)(C(N)=O)C(N)=O MOL3061
-NC(=O)CCC(F)(C(N)=O)C(N)=O MOL3062
-CC(C)CC(F)(C(N)=O)C(N)=O MOL3063
-O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cn1 MOL3064
-Clc1ccc(C=NN2CCCCCC2)c(Cl)c1 MOL3065
-COCN1CCC2N(COC)CCC3N(COC)CCC1N23 MOL3066
-CCCCN(CCCC)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL3067
-CNc1ccc(C=C2C=Cc3ccccc32)cc1 MOL3068
-CC(=O)Nc1ccc(C=C2C=Cc3ccccc32)cc1 MOL3069
-COC1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1NC(C)=O MOL3070
-CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc32)c2cc(O)c(O)cc21 MOL3071
-CCOC(=O)C1(C(=O)OCC)NC(=O)CC1CC MOL3072
-CCOC(C)C(C=NNC(N)=S)=NNC(N)=S MOL3073
-CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1 MOL3074
-Nc1ccc2oc(=O)c(C(=O)O)cc2c1 MOL3075
-CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL3076
-Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N MOL3077
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1 MOL3078
-O=C1OC(=O)c2cc3c(cc21)C(=O)OC3=Cc1ccccc1 MOL3079
-CC1CC(C)(C)S(=O)(=O)O1 MOL3080
-CC(=O)OC1=C(C)S(=O)(=O)c2ccccc21 MOL3081
-O=S1(=O)CC(=CN2CCOCC2)c2ccccc21 MOL3082
-O=c1c2c(sc3ccccc13)CCC2 MOL3083
-CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21 MOL3084
-c1ccc(-c2c(-c3ccccc3)c2=NN(c2ccccc2)c2ccccc2)cc1 MOL3085
-N=C(N)SCCNCC(O)C(O)CNCCSC(=N)N MOL3086
-O=C(O)C=CC(=O)Nc1ccccc1O MOL3087
-CCC(C)C1NC(=O)C(C(C)=O)=C1O.c1ccc(CNCCNCc2ccccc2)cc1 MOL3088
-Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(=O)n(C)c21 MOL3089
-Clc1ccc(C=NN2CCCCCC2)cc1Cl MOL3090
-CC1=[O+][Mn]23([O+]=C(C)C1)([O+]=C(C)CC(C)=[O+]2)[O+]=C(C)CC(C)=[O+]3 MOL3091
-c1cc(C2N3CCCN2CC3)ccn1 MOL3092
-CCCCCCCCCCCCCCC=CC(CC(=O)O)C(=O)O MOL3093
-CCOC(=O)C(C(=O)OCC)C1c2ccccc2-c2ccccc21 MOL3094
-COP(=O)(OC)C(=O)c1ccccc1 MOL3095
-c1cc2c3c(c1)ccc[n+]3[Mn]1(O2)Oc2cccc3ccc[n+]1c23 MOL3096
-CSc1ncnc2[nH]c(C(O)c3ccccc3)nc12 MOL3097
-CC1(C)C[N+](C)(C)C2(CCCC2)O1.[O-][Cl+3]([O-])([O-])O MOL3098
-C1CCC2(CC1)C[N+]1(CCCC1)C1(CCC1)O2.[O-][Cl+3]([O-])([O-])O MOL3099
-CC1(C)SC2C(NC(=O)C3(N)CCCC3)C(=O)N2C1C(=O)O MOL3100
-Cc1ccc(S(=O)(=O)SCCCSS(=O)(=O)c2ccc(C)cc2)cc1 MOL3101
-CNC(=NCCCN1CCOCC1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NCCCN4CCOCC4)NC)cc3)cc2)cc1 MOL3102
-Nc1nc(SCc2ccccc2)c2ncn(CCO)c2n1 MOL3103
-Nc1nc(N)c2cc(Cl)ccc2n1 MOL3104
-Clc1cnnc2[nH]cnc12 MOL3105
-Nc1cnn2nnnc2c1Cl MOL3106
-Nc1cnn2cnnc2c1 MOL3107
-O=[N+]([O-])c1ccc(C=Cc2c[n+]([O-])nc3ccccc23)cc1 MOL3108
-O=C1Nc2ccccc2C1=NN1CCCCCC1 MOL3109
-Brc1ccc2[nH]cc(C=NN3CCCCCC3)c2c1 MOL3110
-CCOP(=O)(OCC)C(=O)C1CC1 MOL3111
-NC(=O)OCC(O)COc1ccc(Cl)cc1 MOL3112
-COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1 MOL3113
-Oc1ccc(CCl)c2cccnc12 MOL3114
-COC(=O)c1c2oc3c(C(=O)OC)cccc3nc-2cc(N)c1=O MOL3115
-CN(C)c1ccc(C=C2C=CC=C2)cc1 MOL3116
-COc1cc(N(C)C)c(OC)cc1C=C1C=CC=C1 MOL3117
-COc1cc(N(C)C)c(OC)cc1C=C1C=Cc2ccccc21 MOL3118
-COc1cc(OC)c(OC)cc1C=C1C=Cc2ccccc21 MOL3119
-COc1ccc(C=C2C=Cc3ccccc32)cc1 MOL3120
-CCN(CC)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL3121
-COc1ccc(OC)c(C=C2C=Cc3ccccc32)c1 MOL3122
-Cc1cc(C=C2C=Cc3ccccc32)ccc1N(C)C MOL3123
-Nc1ccc(C=C2C=Cc3ccccc32)cc1 MOL3124
-NNC(=O)NNC(=O)NN MOL3125
-Nc1cc(S(N)(=O)=O)ccc1SSc1ccc(S(N)(=O)=O)cc1N MOL3126
-O=C(O)C1CSC(c2cccs2)N1 MOL3127
-O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 MOL3128
-NC(CSCC(N)C(=O)O)C(=O)O MOL3129
-NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O MOL3130
-COc1cc(OC)c(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC MOL3131
-COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(OC(C)C)cc3)oc2c1OC MOL3132
-COc1cccc(-c2n[nH]c(=N)o2)c1 MOL3133
-c1nc2c([nH]1)CCNC2c1ccc2c(c1)OCO2 MOL3134
-O=C(Cc1ccccc1)OC1CN2CCC1CC2 MOL3135
-CN(C)CCNC1c2ccccc2CCc2ccccc21 MOL3136
-O=C(COc1ccc(Cl)cc1)OC1CN2CCC1CC2 MOL3137
-ON=C1CN2CCC1CC2 MOL3138
-COc1cc(OC)c2nc3occc3c(OC)c2c1 MOL3139
-CC1(C)Oc2cc3oc(=O)ccc3c3c2C2C1CCC(C)(O3)C2O MOL3140
-CC(C)=CCCC(C)=CCc1cc2ccc(=O)oc2cc1O MOL3141
-COc1c2c(c3c(c1CCC(=O)O)OC(C)(C)C=C3)OC(C)(C)C=C2 MOL3142
-CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4C(=O)O MOL3143
-Nc1nc(N)c(N=O)c(O)n1 MOL3144
-O=C1C(C2CCCCC2)CCCC1(CO)CO MOL3145
-C[Si](C)(C)CCCS(=O)(=O)O MOL3146
-COc1cc(-c2cc(OC)c(O)c(OC)c2)cc(OC)c1O MOL3147
-NC12CC3CC(CC(C3)C1)C2 MOL3148
-CSc1nnc2c(=O)n(C)c(=O)n(C)c2n1 MOL3149
-Nc1cc(=O)[nH]c(=S)n1-c1ccc(Cl)cc1 MOL3150
-CN(N=NN(C)c1ccccc1)c1ccccc1 MOL3151
-O=C1C(=Cc2ccc(O)c(O)c2)CCc2ccccc21 MOL3152
-COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O MOL3153
-Cn1c(=O)[nH]c2c([nH]c(=O)c(=O)n2C)c1=O MOL3154
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c(NNc2ccccc2)c1NNc1ccccc1 MOL3155
-C#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C MOL3156
-CC(=O)c1c(-c2ccc(O)cc2)oc2cc(O)ccc12 MOL3157
-CCCCCC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C MOL3158
-c1ccc(OCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3159
-O=Cc1ccccc1OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3160
-c1ccc([PH](CCOCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3161
-c1ccc([PH](CCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3162
-c1ccc([PH](CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3163
-BrCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3164
-c1ccc([PH](CCCCCCCCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3165
-O=P1(N2CCCCC2)OCC2(CO1)COP(=O)(N1CCCCC1)OC2 MOL3166
-O=P1(Cl)OCC2(CO1)COP(=O)(Cl)OC2 MOL3167
-Oc1c(C(Nc2cccc3cccnc23)c2ccccc2)ccc2cccnc12 MOL3168
-CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(C1Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3O1)N2 MOL3169
-Nc1nc(N)c(N=Nc2ccc(S(=O)(=O)NC(=O)c3ccccc3)cc2)c(O)n1 MOL3170
-O=S(=O)(O)CN(CS(=O)(=O)O)c1nc(N(CS(=O)(=O)O)CS(=O)(=O)O)nc(N(CS(=O)(=O)O)CS(=O)(=O)O)n1 MOL3171
-CC(C)=CCCC(C)=CCOC(=O)N(c1ccccc1)c1ccccc1 MOL3172
-O=C(O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3173
-O=C(O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O MOL3174
-O=C1OC(=O)C2C1CC1C(=O)OC(=O)C12 MOL3175
-O=C1CCCCCN1c1ccccn1 MOL3176
-O=C(O)CCCO MOL3177
-O=C1CCCN1CO MOL3178
-O=S(=O)(O)CCCO MOL3179
-Cc1cc(O)nc2[nH][nH]c(=O)c12 MOL3180
-O=c1oc(=O)c2ccc3c(=O)oc(=O)c4ccc1c2c43 MOL3181
-CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 MOL3182
-CCOC(=O)N(CCCCCCNC(c1ccccc1)S(=O)(=O)O)c1ccccc1 MOL3183
-N#CC1(C#N)C(C#N)(C#N)C12CCCCC2 MOL3184
-O=C1C(=O)c2c(nc3ccccn23)-c2ccccc21 MOL3185
-O=P1(NC2CCCC2)OCC2(CO1)COP(=O)(NC1CCCC1)OC2 MOL3186
-CCC1SC(C)C(=O)NC1=O MOL3187
-CCN1C(=O)C(=O)C(CC)(CC)C1=O MOL3188
-CCN1C(=O)C(=O)OC1=C(c1ccccc1)c1ccccc1 MOL3189
-OC(c1ccccc1)(c1ccccc1)C1CC1c1ccncc1 MOL3190
-O=C1NC2C(NC(=O)N2Cl)N1Cl MOL3191
-CCN(CC)CCC=C1c2ccccc2Sc2ccc(Cl)cc21 MOL3192
-CCC1(CCO)C(=O)N=C(Nc2ccccc2)NC1=O MOL3193
-CC(C)CCC1(CCSC#N)C(=O)NC(=O)NC1=O MOL3194
-Cc1nc(N)nc2c1CCC(O)S2 MOL3195
-CCC1(CC)SCC(=O)NC1=O MOL3196
-CCCCC1(CCO)C(=O)NC(=S)NC1=O MOL3197
-NC(=O)C(N)(c1ccccc1)c1ccccc1 MOL3198
-N=C(N)SCC1OCOC1C1OCOC1CSC(=N)N MOL3199
-CC(C)c1ccc(C(C(=O)O)=C(O)C(=O)O)cc1 MOL3200
-N=C(NNC(=N)C(F)(F)F)C(F)(F)F MOL3201
-NC(=S=O)C(F)(F)C(F)(F)C(F)(F)F MOL3202
-CNC(=O)c1ccc(NC(=O)Nc2cccc(C3=NCCN3)c2)cc1NC(=O)Nc1cccc(C2=NCCN2)c1 MOL3203
-C=C1C(=O)OC2C1CCC(C)C1C=CC(=O)C12C MOL3204
-C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(O)C12 MOL3205
-C=C1C(=O)OC2C1CCC(C)C1(O)CCC(=O)C21C MOL3206
-CC(=O)OC1C2C(CC(C)C3C=CC(=O)C31C)OC(=O)C2C MOL3207
-C=C1C(=O)OC2C1CCC(C)C1CCC(=O)C12C MOL3208
-CCC1(NC(=O)CN)C(=O)NC(=O)NC1=O MOL3209
-CCNC(=N)Nc1ccccc1 MOL3210
-N=C1C(=O)NC(=O)C1c1ccccc1 MOL3211
-N=C1N(c2ccccc2)C(=O)CC(=O)N1c1ccccc1 MOL3212
-CSc1nc(N)c2c(n1)N(C)C=NS2(=O)=O MOL3213
-CNc1nc(SC)nc2c1S(=O)(O)=NC=N2 MOL3214
-CN1CC2=C(NCNS2(=O)=O)N(C)C1 MOL3215
-O=C(c1ccc([N+](=O)[O-])cc1)c1no[n+]([O-])c1C(=O)c1ccc([N+](=O)[O-])cc1 MOL3216
-Cc1nnc2ccccc2c1O MOL3217
-CCC1(c2ccccc2)OCC(=O)NC1=O MOL3218
-CC(C)(C)c1ccc(C2(Br)C(=O)NC(=O)C2=O)cc1 MOL3219
-O=C1CS(=O)(=O)C2(CCCCC2)C(=O)N1 MOL3220
-Nc1ccccc1-c1cc[nH]n1 MOL3221
-CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 MOL3222
-CC(C)c1oc2ccccc2c1C(=O)c1ccc(O)cc1 MOL3223
-CCc1n[nH]c(-c2ccc(OC)cc2)c1-c1ccccc1O MOL3224
-CN(CC1=C(O)C(=O)C(CN(C)Cc2c(O)ccc3ccccc23)=C(O)C1=O)Cc1c(O)ccc2ccccc12 MOL3225
-O=C1NCN(C2CCCCC2)CN1 MOL3226
-Cc1c(S(=O)c2cc(C(C)(C)C)c(O)c(CN3CCCC3)c2C)cc(C(C)(C)C)c(O)c1CN1CCCC1 MOL3227
-O=C(O)CSC(=S)N1CCCC1 MOL3228
-O=C(O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] MOL3229
-O=S(=O)(SS(=O)(=O)c1ccccc1)c1ccccc1 MOL3230
-O=S(=O)(SSS(=O)(=O)c1ccccc1)c1ccccc1 MOL3231
-Cc1ccc(S(=O)(=O)SSSSS(=O)(=O)c2ccc(C)cc2)cc1 MOL3232
-COc1ccccc1S(=O)(=O)Sc1ccccc1[N+](=O)[O-] MOL3233
-O=S(=O)(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 MOL3234
-O=S(=O)(SC(Cl)(Cl)Cl)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)SC(Cl)(Cl)Cl)c2)c1 MOL3235
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccc(Cl)cc1 MOL3236
-CC(C)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 MOL3237
-O=[N+]([O-])c1ccccc1SS(=O)(=O)c1ccc(Cl)cc1 MOL3238
-Cc1ccc2c(ccc(C=Cc3ccc(O)c4ncccc34)[n+]2C)c1 MOL3239
-CCOc1ccc2c(ccc(C=Cc3ccc(O)c4ncccc34)[n+]2C)c1 MOL3240
-Cn1cnc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c21 MOL3241
-Cn1cnc2[nH]c(=O)n(O)c(=O)c21 MOL3242
-CSc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2n1C MOL3243
-C1CCN(CCCSSCCCN2CCCCC2)CC1 MOL3244
-O=C1OCC2Cc3sccc3C(c3ccccc3)=C12 MOL3245
-O=S(=O)(SS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL3246
-CCOC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)OCC)cc2)cc1 MOL3247
-C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl MOL3248
-Cc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 MOL3249
-CCC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3250
-C=CCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3251
-CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO MOL3252
-COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O MOL3253
-C=CC(CCCCCCCC(=O)O)S(=O)(=O)O MOL3254
-O=S(=O)(SSS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 MOL3255
-O=S(=O)(SSS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL3256
-O=[N+]([O-])c1cccc(S(=O)(=O)SSS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 MOL3257
-Cc1ccc(SS(=O)(=O)c2ccc(C)cc2)cc1 MOL3258
-COC1=CC=C2CC(=C1)CCC1C2CCC2(C)C(=O)CCC12 MOL3259
-CC(=O)C1CCC2C3CC4OCC5(CCC(O)CC45Br)C3CCC12C MOL3260
-CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1 MOL3261
-C1C2CC3C1C1C[S+]3CC21 MOL3262
-O=C(Oc1ccccc1)C(c1ccccc1)c1ccccc1 MOL3263
-CC(C)=C1C2CCC1C(CO)C2CO MOL3264
-CCOC(=O)C1C2CCC(C2=C(c2ccccc2)c2ccccc2)C1C(=O)O MOL3265
-Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(C)c3nc2n(C)c1=O MOL3266
-S=c1sc2ccccc2n1CNc1ccccc1Cl MOL3267
-O=C(Nc1ccc(Cl)c(Cl)c1)OCC#CCOC(=O)Nc1ccc(Cl)c(Cl)c1 MOL3268
-O=[N+]([O-])c1ccc(Ic2ccccc2)cc1 MOL3269
-Cc1ccc2c(ccc(C=Cc3cc(C)c4cccnc4c3O)[n+]2C)c1 MOL3270
-CCOc1ccc2c(ccc(C=Cc3cc(C)c4cccnc4c3O)[n+]2C)c1 MOL3271
-Cc1cc(C=Cc2cc[n+](C)c3ccccc23)c(O)c2ncccc12 MOL3272
-CN(C)c1ccc(C=C2C(=O)Nc3ccccc32)cc1 MOL3273
-C1=Cc2ccccc2C1=Cc1ccc2c(c1)OCO2 MOL3274
-COc1cc(C=C2C=Cc3ccccc32)cc(OC)c1OC MOL3275
-COc1cc(N(C)C)c(OC)cc1C=C1Cc2ccccc2C1=O MOL3276
-COc1ccccc1C=C1C=Cc2ccccc21 MOL3277
-CCCCNc1ccc(C=C2C=Cc3ccccc32)cc1 MOL3278
-COc1cc(C=C2C=Cc3ccccc32)ccc1N(C)C MOL3279
-CN(c1ccc(C=Cc2ccccc2)cc1)P1(=O)NCCCO1 MOL3280
-CNc1ccc(C=C2C=CC=C2)cc1 MOL3281
-O=P1(Nc2ccc(C=C3C=Cc4ccccc43)cc2)NCCCO1 MOL3282
-CCC1C(c2ccccc2)=CCC(C(=O)O)C1C MOL3283
-CN(N=NN(C)c1ccccc1)c1ccccc1 MOL3284
-ClC1(c2ccccc2)c2ccc(Br)cc2-c2cc(Br)ccc21 MOL3285
-O=C(Oc1ccc(OC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)c1ccccc1)c1ccccc1 MOL3286
-CN1CCC(CNC(=O)CCCCCCCCC(=O)NCC2(c3ccccc3)CCN(C)CC2)(c2ccccc2)CC1 MOL3287
-COc1cc2c(c(OC)c1OC)C1CCCCC1SCC2=O MOL3288
-CC(C)(N)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O MOL3289
-C(=Cc1ccnc2ccccc12)c1cccnc1 MOL3290
-C(=Cc1ccc2ccccc2n1)c1cccnc1 MOL3291
-FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F MOL3292
-Cc1cc2c(c(O)n1)C(=O)OC2 MOL3293
-CC(=O)Nc1nnc2c3ccccc3n(C(C)=O)c2n1 MOL3294
-O=C1Nc2ccccc2N2C(=O)CCC12 MOL3295
-N=c1c2c(ncn1N)CCN(Cc1ccccc1)C2 MOL3296
-CCNc1ncc2nc(CC(=O)OC)c(=O)n(CC)c2n1 MOL3297
-Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1CCC(=O)O MOL3298
-CNc1ncc2nc(C(=O)O)c(=O)n(C)c2n1 MOL3299
-CN=c1ncc2nc(-c3ccccc3)c(-c3ccccc3)n(C)c-2n1 MOL3300
-CC1=C2C=CC(=O)N2C2C(N1)C(=O)N(C)C(=O)N2C MOL3301
-N#CC1=C(NC(=O)Nc2ccccc2)NC(=S)NN1 MOL3302
-CCOC(=O)c1c(N)sc(C)c1C MOL3303
-O=C(O)c1onc2ccccc12 MOL3304
-CCOC(=O)C(=O)Cc1nc2ccccc2n(C)c1=O MOL3305
-Cc1nc2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O MOL3306
-CCc1noc(N)c1C#N MOL3307
-Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C)CC1 MOL3308
-CCOC(=O)C(C(=O)OCC)C(c1ccc(OC)cc1)N1CCN(C(c2ccc(OC)cc2)C(C(=O)OCC)C(=O)OCC)CC1 MOL3309
-COc1cc(C(c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2NC(C)=O)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2NC(C)=O)ccc1O MOL3310
-CC(=O)NC1NCCNC1=O MOL3311
-CC(=O)Oc1ccc2c(c1)nnn2C(C)=O MOL3312
-NCCCC1CCCCNC1 MOL3313
-O=[N+]([O-])c1cnc(NP(=O)(NC2CCCCC2)NC2CCCCC2)nc1NC1CCCCC1 MOL3314
-N#Cc1c(N)[nH]c(S)c1C#N MOL3315
-O=C(CC(c1ccc2c(c1)OCO2)N1CCN(C(CC(=O)c2ccc(Br)cc2)c2ccc3c(c2)OCO3)CC1)c1ccc(Br)cc1 MOL3316
-O=P1(O)c2ccccc2Oc2ccccc21 MOL3317
-CCN(CC)C1=CC(=O)n2cccc21 MOL3318
-CCOC(=O)C=C(c1cc(C)[nH]c1C)N(CC)CC MOL3319
-CCC(F)(C(N)=O)C(=O)O MOL3320
-CC(C)C(F)(C(N)=O)C(=O)O MOL3321
-NC(=O)C(F)(Cc1ccccc1)C(=O)O MOL3322
-Brc1ccc(N2N=NC3C4CC(C5CCCC54)C32)cc1 MOL3323
-CCOC(=O)c1ccc(N2N=NC3C4CC(C5CCCC54)C32)cc1 MOL3324
-O=C1C2N=NN(c3ccccc3)C2C(=O)N1c1ccccc1 MOL3325
-O=Nc1ccc(O)cc1Cc1ccccc1 MOL3326
-CCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O MOL3327
-CC1=CC(O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)OC(C(C)C)C(C)C=CC(=O)NCC=C1 MOL3328
-CC(=NNC(=N)N)C(N=Nc1ccc(S(N)(=O)=O)cc1)=NNC(=N)N MOL3329
-Cc1nccn1Cc1c(N)nc(N)nc1O MOL3330
-CC(C)(SSC(C)(C)C(N)C(=O)O)C(N)C(=O)O MOL3331
-Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)C(O)OC3=O MOL3332
-COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O MOL3333
-c1ccc(C2=C(c3ccccc3)N=NC(c3ccccc3)=C(c3ccccc3)N=N2)cc1 MOL3334
-c1ccc(N2N=NC3C4CC(C5CCCC54)C32)cc1 MOL3335
-Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1 MOL3336
-O=C1c2cc(Oc3ccccc3)c(S(=O)(=O)O)c(S(=O)(=O)O)c2C(=O)c2c(O)ccc(O)c21 MOL3337
-CC1CN=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=NCC(C)CN5)cc4)cc3)cc2)NC1 MOL3338
-O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1 MOL3339
-CCCS(=O)(=O)O MOL3340
-NC1=NC(c2ccccc2)=CC=C(c2ccccc2)N=N1 MOL3341
-c1cnc2nc3c4ccccc4c4ccccc4c3nc2c1 MOL3342
-O=C1N=NC(Cl)c2ccccc21 MOL3343
-CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(OC)cc1 MOL3344
-CSc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2n1Cc1ccccc1 MOL3345
-CSc1nc2[nH]c(=O)n(O)c(=O)c2n1Cc1ccccc1 MOL3346
-Fc1c(F)c(F)c(S)c(F)c1F MOL3347
-Sc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1 MOL3348
-S=P1(c2ccccc2)Nc2ccc(Cl)cc2N1 MOL3349
-Cc1cc(C)c2c(c1)NP(=S)(c1ccccc1)N2 MOL3350
-CN1c2ccccc2N(C)P1(=S)c1ccccc1 MOL3351
-CCP1(=S)Nc2ccccc2N1C MOL3352
-O=P1(c2ccccc2)Nc2cc(Cl)c(Cl)cc2N1 MOL3353
-CN1c2ccccc2NP1(=S)Oc1ccccc1 MOL3354
-O=[N+]([O-])c1ccc2c(c1)NP(=S)(Oc1ccccc1)N2 MOL3355
-CC1=C(O)C(=O)C(C2=C(O)C(=O)C(C)=C(O)C2=O)=C(O)C1=O MOL3356
-CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C2CC(O)CN2C1=O MOL3357
-O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)ncn1 MOL3358
-CCOc1nnc(C)o1 MOL3359
-CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(=O)O MOL3360
-CS(=O)(=O)OC1C(COC(=O)c2ccccc2)OC2C1Oc1nc(=O)ccn12 MOL3361
-Oc1ccc2ccc3c(c2c1)CN(Cc1ccccc1)CO3 MOL3362
-c1ccc(CN2COc3ccc4c5c(ccc4c3C2)OCN(Cc2ccccc2)C5)cc1 MOL3363
-O=Nc1c(N=O)c(N=O)c(N=O)c(N=O)c1N=O MOL3364
-CCCCCCCCCCCCCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CCCCCCCCCCCCC)=C(O)C2=O)=C(O)C1=O MOL3365
-N#CC(=Cc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 MOL3366
-O=C(O)c1cc2cc3c(cc2c2ccccc12)OCO3 MOL3367
-O=C(O)CCC(=O)c1ccc2oc3ccccc3c2c1 MOL3368
-CC12CCC3c4ccc(OC(=O)N(CCCl)CCCl)cc4CCC3C1CCC2O MOL3369
-CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)OCc1ccccc1 MOL3370
-Cc1nccnc1N1CCCCC1.O=S(=O)(O)O MOL3371
-O=[N+]([O-])C1C=Nc2ccccc2N=C1 MOL3372
-Cc1cc2c(C(C)C)c(O)c(O)c(C=NO)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NO)c2c1O MOL3373
-CC(=O)Oc1c(OC(C)=O)c(C=O)c2c(OC(C)=O)c(-c3c(C)cc4c(C(C)C)c(OC(C)=O)c(OC(C)=O)c(C=O)c4c3OC(C)=O)c(C)cc2c1C(C)C MOL3374
-Cc1cc2c3c(coc3c1-c1c(C)cc3c4c(coc14)C(=O)C(O)=C3C(C)C)C(=O)C(O)=C2C(C)C MOL3375
-COc1c(OC)c(C=O)c2c(OC)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)c(C=O)c4c3OC)c(C)cc2c1C(C)C MOL3376
-S=C(Nc1cccc2ccccc12)NN1CCCCCC1 MOL3377
-O=C1NC(=S)NC(=O)C1=Cc1ccc(Cl)c(Cl)c1 MOL3378
-Oc1ccc(S)cc1CNc1ccccc1 MOL3379
-CC1CCCC=CC2CC(O)CC2C(O)C=CC(=O)O1 MOL3380
-O=C1CCC(=O)N1N1C(=O)CCC1=O MOL3381
-CC(CCC(C)C(=O)O)C(=O)O MOL3382
-Oc1cc(O)c2ccccc2n1 MOL3383
-COc1ccc(CC(=O)c2ccc(O)cc2O)cc1 MOL3384
-CCC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC MOL3385
-Nc1nc(N)c(CCCCc2ccccc2)c(N)n1 MOL3386
-CCCCCCCCCCCc1c(O)c(=O)c2c(oc3c(=O)c(CCCCCCCCCCC)c(O)c(=O)c3n2-c2ccc(N(C)C)cc2)c1=O MOL3387
-Nc1ncnc(N)c1N=O MOL3388
-NC(F)(Cc1ccccc1)C(=O)O MOL3389
-N#CC(=Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 MOL3390
-C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL3391
-c1ccc2[nH]c(-c3cscn3)nc2c1 MOL3392
-O=C(O)c1c2ccccc2nc2nc(O)nc(O)c12 MOL3393
-CC1(O)CCC2C3CCC4CC(O)C5CC4(CO5)C3CCC21C MOL3394
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O MOL3395
-CCC12CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2.O=S(=O)(O)O MOL3396
-Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccccc1 MOL3397
-NC(=O)CCCCC1CCSS1 MOL3398
-O=C(O)CCCCC1CCSS1 MOL3399
-CC(C)(C)C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2 MOL3400
-C1=CC2CCC1C1CN(CCCN3CCOCC3)CC21 MOL3401
-CC1(C)OCC2OC(n3cnc4c(N)nc(Cl)nc43)C(OS(C)(=O)=O)C2O1 MOL3402
-O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2cc(Cl)c(Cl)cc21 MOL3403
-O=S1(=O)C=Cc2ccccc2CC1 MOL3404
-COc1cc2c(c(OC)c1OC)C1CCCCC1SCC2O MOL3405
-O=S1(=O)CCc2ccccc2C(Cl)C1 MOL3406
-C(=NN=C(NN=CC1CNCCN1)NN=CC1CNCCN1)C1CNCCN1 MOL3407
-CCCNC1=C(Cl)C(=O)c2ccccc2C1=O MOL3408
-CCCCCCCCCCN(CCCCCCCCCC)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCCCCCCCCC)CCCCCCCCCC)cc2)cc1 MOL3409
-CCCCCCCCCCCCN(CCCCCCCCCCCC)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCCCCCCCCCCC)CCCCCCCCCCCC)cc2)cc1 MOL3410
-Nc1nc(N)c(CCCCc2ccccc2)c(Cc2ccccc2)n1 MOL3411
-CC(C)NCC(O)COc1cccc2ccccc12 MOL3412
-O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O MOL3413
-N#Cc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1 MOL3414
-O=[N+]([O-])c1cccc(C=NNC2=CS(=O)(=O)C=C2)c1 MOL3415
-O=C(O)c1ccccc1C=NNC1=CS(=O)(=O)C=C1 MOL3416
-CC1=NNC(=S)NCCCN2CCN(CCCNC(=S)NN=C(C)C=NNC(=S)NCCCN3CCN(CCCNC(=S)NN=C1)CC3)CC2 MOL3417
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3 MOL3418
-CN1CCC2(CC1)OCCN2CCO MOL3419
-C[N+](C)(C)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL3420
-CN(C(=O)c1ccccc1S)c1ccccc1 MOL3421
-Sc1ccccc1C1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 MOL3422
-CNc1ccc(C=C2c3ccccc3-c3ccccc32)cc1 MOL3423
-CN(C)c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 MOL3424
-CC(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O MOL3425
-N#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3426
-COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=O)c1O2 MOL3427
-CC1=CCC(=O)C2(C)C1C(O)C1OC3CC(c4ccoc4)C(C)=C3C1(C)C2CC(=O)O MOL3428
-COC(=O)C1(C)C=CC(=O)C2(C)C1C(O)C1OC3CC(c4ccoc4)C(C)=C3C1(C)C2CC(=O)O MOL3429
-O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccccc2)C(=O)c2ccccc21 MOL3430
-CN(C)c1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1 MOL3431
-O=C1O[Cu-3]2(Oc3c1cc1ccccc1c3Br)Oc1ccc([N+](=O)[O-])c3ccc[n+]2c13 MOL3432
-O=C1O[Cu-3]2(Oc3c(I)cc(I)cc31)Oc1ccc([N+](=O)[O-])c3ccc[n+]2c13 MOL3433
-Nc1cc(F)c2cccnc2c1O MOL3434
-Nc1cc(I)c2cccnc2c1O MOL3435
-CCOC(=O)C(F)(F)C(=O)OCC MOL3436
-NC(=O)C(F)C(N)=O MOL3437
-NC(=O)C(F)(F)C(N)=O MOL3438
-C=C(C)C1CCC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL3439
-CC1(C)OC1COc1c2occc2cc2ccc(=O)oc12 MOL3440
-CCCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCCC)c4c3O)c(O)c12 MOL3441
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(Cl)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(Cl)c3)c2c1O MOL3442
-CC1=CC(=O)Nc2cncnc2N1 MOL3443
-CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C MOL3444
-CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC21C MOL3445
-CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1 MOL3446
-N=C(N)NNCCOc1c(Cl)cccc1Cl.O=S(=O)(O)O MOL3447
-COc1cc2c(cc1OC)C(=Cc1ccc(N(C)C)cc1)C=C2 MOL3448
-OC(C1=CC(=Cc2ccncc2)c2ccccc21)c1ccncc1 MOL3449
-CC1NCCc2c1[nH]c1ccc(O)cc21 MOL3450
-O=c1ccc(=O)n(CN(CCCl)CCCl)[nH]1 MOL3451
-Oc1nc(S)nc2c1CN(CCCN1CCOCC1)CN2 MOL3452
-CC(C)C(=NP(=O)(c1ccccc1)c1ccccc1)N(C)C MOL3453
-Oc1nnc(O)c2c1nc(SCc1ccc(Br)cc1)n2Cc1ccccc1 MOL3454
-C1CN(P(N2CCOCC2)N2CCOCC2)CCO1 MOL3455
-CC12CCC(C)(O1)C1C(=O)N(c3nccs3)C(=O)C12 MOL3456
-C1CCC2(CC1)CCN(CCCN1CCOCC1)CC2 MOL3457
-CN(C)CCCN1CCC2(CCSCC2)C1 MOL3458
-Cn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O MOL3459
-Cn1c2ccccc2c2c3c(ccc21)C(=O)c1ccccc1C3=O MOL3460
-Cn1c2ccccc2c2c3c(ccc21)C(=O)N(c1ccccc1)C3=O MOL3461
-O=[N+]([O-])c1cccnc1SSc1ncccc1[N+](=O)[O-] MOL3462
-c1cc(CSSCc2ccncc2)ccn1 MOL3463
-c1cc(CCSSCCc2ccncc2)ccn1 MOL3464
-CC1(C)C2CCC13CC(=O)OC3C2 MOL3465
-O=C1C(OC(=O)c2ccccc2)=C(c2ccc(O)cc2)C(=O)C(OC(=O)c2ccccc2)=C1c1ccc(O)cc1 MOL3466
-CC1(C)OC2OC3C4COC(SSC56OCC(O5)C5OC7OC(C)(C)OC7C5O6)(O4)OC3C2O1 MOL3467
-CC1(C)OCC(C2OC3OC(C)(C)OC3C2OC(=S)SSC(=S)OC2C(C3COC(C)(C)O3)OC3OC(C)(C)OC32)O1 MOL3468
-CC1(C)OC2OC(COC(=S)SSC(=S)OCC3OC4OC(C)(C)OC4C4OC(C)(C)OC34)C3OC(C)(C)OC3C2O1 MOL3469
-CC1(C)OC2OC(C(O)CO)C(OC(=S)SSC(=S)OC3C(C(O)CO)OC4OC(C)(C)OC43)C2O1 MOL3470
-Cc1ccc(S(=O)(=O)OC2C3OC(C)(C)OC3OC2C2CSC(=S=O)S2)cc1 MOL3471
-Oc1ccc(C2Oc3c(ccc(O)c3O)C(O)C2O)cc1O MOL3472
-CC1OC(OC2CCC3(C=O)C4CCC5(C)C(c6ccc(=O)oc6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O MOL3473
-COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4 MOL3474
-O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 MOL3475
-Cc1ccc(OP2(=O)Nc3ccccc3S2)cc1 MOL3476
-O=P1(Oc2ccccc2)Nc2cc(Cl)ccc2S1 MOL3477
-COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 MOL3478
-COc1ccc(-c2c(C)oc3cc(OC(C)=O)ccc3c2=O)cc1 MOL3479
-CCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(CC)oc2c1 MOL3480
-COc1ccc2c(c1)OCC(O)(c1ccccc1)C2=O MOL3481
-COc1ccc2c(c1)OCC(O)(c1ccccc1)C2O MOL3482
-COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(OC1OC(C)C(O)C(O)C1OC)C(OC)C(C)(O)C3=O MOL3483
-O=c1ccs[nH]1 MOL3484
-CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)C(C)C MOL3485
-O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3 MOL3486
-CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1Br MOL3487
-Cc1cc(C(=C2C=CC(=N)C=C2)c2ccc(N)cc2)ccc1N MOL3488
-CC(C)O.CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O MOL3489
-OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL3490
-CNc1cc2oc(=O)cc(C)c2cc1C MOL3491
-CCNc1cc2oc(=O)cc(C)c2cc1C MOL3492
-O=C1C=CC2(CCC23C=CC(=O)O3)O1 MOL3493
-O=c1cc(-c2ccccc2)oc2cc(O)ccc12 MOL3494
-Cc1cccc(Nc2ccccc2C(=O)O)c1C MOL3495
-CC(=O)OC1Cn2ccc[n+]2C1 MOL3496
-O=C(NCCCN1CCN(CCCNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1)Nc1ccc(N=Nc2ccccc2)cc1 MOL3497
-O=C(NCCCN1CCN(CCCNC(=O)Nc2cc(Cl)ccc2Cl)CC1)Nc1cc(Cl)ccc1Cl MOL3498
-COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1 MOL3499
-Cn1cnc2ccccc2c1=S MOL3500
-Cn1cnc(=S)c2ccccc21 MOL3501
-c1ccc(Oc2ncnc3ccccc23)cc1 MOL3502
-O=C(O)C1(C(=O)O)CC2C3C=CC(C3)C2C1 MOL3503
-OCC1(CO)CC2C3C=CC(C3)C2C1 MOL3504
-CC1(C)C2C3CCC2C2C[S+]1CC23 MOL3505
-c1ccc(N2N=NC3C4CC(C5COCC54)C32)cc1 MOL3506
-O=C(O)c1ccccc1C(=O)OC1CC2CC1C1OCC21 MOL3507
-OCC1C(CO)C2CCC1C2(c1ccccc1)c1ccccc1 MOL3508
-OCC1C(CO)C2CCC1C2(Cc1ccccc1)Cc1ccccc1 MOL3509
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 MOL3510
-CCOP(=O)(N=C(C(C)C)N(C)C)OCC MOL3511
-COc1c2ccoc2nc2c(OC)c(OCC(O)C(C)(C)O)ccc12 MOL3512
-CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL3513
-CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12C MOL3514
-CCOC(=O)NCC(OS(C)(=O)=O)C(CNC(=O)OCC)OS(C)(=O)=O MOL3515
-COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)cc(OC)c1OC MOL3516
-CC1C2=CC(=O)CCC(C)(O2)C2CCC3(C)C(O)CCC3C12 MOL3517
-CC1C2=CC(=O)CCC(C)(O2)C2CCC3(C)C(=O)CCC3C12 MOL3518
-N#CC(Cc1ccccc1)C(=O)NN MOL3519
-CC1(C)SC(N)=N[B-]12OC(=O)CC(=O)O2 MOL3520
-COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC MOL3521
-Cc1ncc([N+](=O)[O-])n1CC(O)CCl MOL3522
-CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21 MOL3523
-CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C23)C14 MOL3524
-COC1OCC(N)C(O)C1O MOL3525
-O=P(Nc1ncccn1)(Oc1ccccc1)Oc1ccccc1 MOL3526
-CCCOP(=S)(NC(=N)N)OCCC MOL3527
-O=C(NC(CSSCC(NC(=O)c1cnc2ccccc2n1)C(=O)O)C(=O)O)c1cnc2ccccc2n1 MOL3528
-FB(F)F.O=[N+]([O-])c1ccccc1P1(=O)OCCO1 MOL3529
-CCOC(=O)c1c(N)nnc(-c2ccccc2)c1-c1ccccc1 MOL3530
-Nc1nc(O)c2nc(COc3ccccc3)ncc2n1 MOL3531
-CN(C)CC1(C)Cc2cc(Cl)sc2C1=O MOL3532
-CN(C)CC1Cc2ccsc2C1=O MOL3533
-CN(C)CC1(C)Cc2sccc2C1=O MOL3534
-CN(C)CC1(C)Cc2ccsc2C1O MOL3535
-CC(=O)Nc1nc(C)c(CCC#N)c(SC(=N)N)n1 MOL3536
-CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 MOL3537
-COc1c2ccoc2cc2oc(=O)ccc12 MOL3538
-CC1CCC(NC(=O)N(CCCl)N=O)CC1 MOL3539
-[N-]=[N+]=C1N=CN=C1c1ncn[nH]1 MOL3540
-O=NN(CCCl)C(=O)NC1CCC(=O)NC1=O MOL3541
-OC(CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1 MOL3542
-CCOc1ccc(C(=O)CCN2CCC3CCC(C3)C2)cc1 MOL3543
-OC(CCN1CCCCCC1)(Cc1ccccc1)c1ccccc1 MOL3544
-CC(=O)NCCCCCCNC(C)=O MOL3545
-NCCCN1CCN(CCCN)CC1.O=C(O)c1ccc(C(=O)O)cc1 MOL3546
-CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NCCCN1CCN(CCCN)CC1 MOL3547
-O=C1CNCCCN2CCN(CCCNCC(=O)Nc3ccc(cc3)S(=O)(=O)c3ccc(cc3)NC(=O)CNCCCN3CCN(CCCNCC(=O)Nc4ccc(cc4)S(=O)(=O)c4ccc(cc4)N1)CC3)CC2 MOL3548
-O=C(NCCCN1CCN(CCCNC(=O)c2ccc(N=Nc3ccccc3)cc2)CC1)c1ccc(N=Nc2ccccc2)cc1 MOL3549
-CN(C)CC1C2C=CC(C2)C1CO MOL3550
-CN(C)CC1C2C=CC(C2)C1CO MOL3551
-O=C1OC2C(I)C3CC2C1C3c1ccccc1 MOL3552
-c1ccc(N2N=NC3C4CC(C5COCC54)C32)cc1 MOL3553
-c1ccc(N2N=NC3C4CC(C5COCC54)C32)cc1 MOL3554
-O=C(Nc1cc(C(=O)Nc2ccc(C3=NCCN3)cc2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(C4=NCCN4)cc3)cc(C3=NCCN3)c2)cc1 MOL3555
-O=C(Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(C5=NCCN5)cc4)cc(C4=NCCN4)c3)cc(C3=NCCN3)c2)cc(C2=NCCN2)c1)c1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(C6=NCCN6)cc5)cc(C5=NCCN5)c4)cc(C4=NCCN4)c3)cc(C3=NCCN3)c2)cc1 MOL3556
-CCOc1ccc2nc(NC(=O)C3C4CCC(O4)C3C(=O)O)sc2c1 MOL3557
-CC1CCC2(CCN(CCCN(C)C)CC2)C1 MOL3558
-NC(=S)NN=Cc1ncccc1O MOL3559
-COC1(O)C(=O)c2ccccc2OC1(OC)c1ccccc1 MOL3560
-Cn1c(N)c(N=O)c(=O)n(C)c1=S MOL3561
-Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O MOL3562
-C=CCn1c(N)c(N=O)c(=O)n(C)c1=O MOL3563
-CCSc1nc2c(=S)n(C)c(=S)n(C)c2[nH]1 MOL3564
-O=C1NC(=O)C(=Cc2ccccc2Br)C(=O)N1 MOL3565
-CC(C=NNC(=N)N)=NNC(=N)N.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O MOL3566
-O=C(NCCCl)c1ccc(Cl)c(Cl)c1 MOL3567
-Cc1ccc(C(=O)NCCCl)cc1C MOL3568
-COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2 MOL3569
-CCCCSc1nc2c(O)nnc(O)c2n1Cc1ccccc1 MOL3570
-O=c1[nH]c(=O)c2ccc3c(=O)[nH]c(=O)c4ccc1c2c43 MOL3571
-CSC1OC(C)(C)OC1=O MOL3572
-O=C1CCN2CCCC1C2 MOL3573
-CCN1CCCCC(=NO)C(=NO)CCCC1 MOL3574
-Nc1ccccc1C=C1Sc2cc[nH]c2C1=O MOL3575
-C[N+]12CCCc3cccc(c31)CCC2 MOL3576
-CCOC(=O)c1cc(C(=O)OCC)c2ccccn2c1=O MOL3577
-O=C1C2C3CCC(C3)C2S(=O)(=O)C2C3CCC(C3)C12 MOL3578
-C1CCC(CSSCC2(N3CCCC3)CCCCC2)(N2CCCC2)CC1.[O-][Cl+3]([O-])([O-])O MOL3579
-CN1CC(=Cc2ccc(N(C)C)cc2)C(=O)C(=Cc2ccc(N(C)C)cc2)C1 MOL3580
-O=c1onc(-c2ccccc2)c2ccccc12 MOL3581
-CCOC(=O)C(C(=O)OCC)C1(c2ccccc2)OC(=O)c2ccccc21 MOL3582
-CCOC(=O)C(C)(C(=O)OCC)C1(c2ccccc2)OC(=O)c2ccccc21 MOL3583
-CC1CN(c2ccccc2)NC1=O MOL3584
-CC1=CC(C)(C)Nc2ccccc2N1 MOL3585
-O=C(O)CCSSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL3586
-O=C(O)C(CSSCC(NC(=O)C(F)(F)F)C(=O)O)NC(=O)C(F)(F)F MOL3587
-O=C(Nc1ccccc1S)OCc1ccccc1 MOL3588
-c1ccc(SSc2ccc3ccccc3c2)cc1 MOL3589
-O=C(NC(CSC(c1ccccc1)c1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 MOL3590
-C[Si]1(C)CCCSC1 MOL3591
-CC1CC[Si](C)(C)CC12C(=O)NC(=O)NC2=O MOL3592
-Fc1cc(F)c(F)c(S)c1F MOL3593
-Fc1c(F)c(-c2c(F)c(F)c(S)c(F)c2F)c(F)c(F)c1S MOL3594
-c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1 MOL3595
-CN1C(=O)C2(C#N)C(C)(C)C2(C#N)C1=O MOL3596
-N#CC1(C#N)C(C#N)(C#N)C12CCCC2 MOL3597
-O=C1C(Cl)=CC(=C2C=C(Cl)C(=O)C(Cl)=C2)C=C1Cl MOL3598
-O=C(O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCCC1 MOL3599
-CN1C(=O)Cc2ccccc21 MOL3600
-CN1CCCC1c1cccnc1.O=C(O)C(O)C(O)C(=O)O MOL3601
-CC(=CC(=O)O)CCC=C(C)C(=O)O MOL3602
-CCC(COCC(CC)C(=O)O)C(=O)O MOL3603
-Oc1cnc2c(ccc3ccccc32)n1 MOL3604
-CCOCCOCCOCOCCOCCOCC MOL3605
-CCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)O MOL3606
-O=S(=O)(O)c1cc(O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34 MOL3607
-O=C1CCC2(O1)c1ccc(O)cc1Oc1cc(O)ccc12 MOL3608
-CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O MOL3609
-CC1CC(O[Ti](OC2CC(C)CC(C)(C)C2)(OC2CC(C)CC(C)(C)C2)OC2CC(C)CC(C)(C)C2)CC(C)(C)C1 MOL3610
-N=C1NC(=O)C(=NO)C(=O)N1 MOL3611
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3 MOL3612
-CCN(CC)C(=S)SCCCS(=O)(=O)O MOL3613
-O=Nc1c(O)nc2ccccc2c1O MOL3614
-O=C1C[N+]23CCO[Fe-4]245(O1)OC(=O)C[N+]4(CC3)CC(=O)O5 MOL3615
-CCOC(=O)c1sc(SSc2nc(C)c(C(=O)OCC)s2)nc1C MOL3616
-Clc1ccc(C(=C=C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)cc1 MOL3617
-CCOC(=O)C1CC2OC2CC1C(=O)OCC MOL3618
-OCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO MOL3619
-C1CCC(OCC2(COC3CCCCO3)CCCCO2)OC1 MOL3620
-COc1cc2c(cc1OC)C(C)N1CCc3cc(OC)c(OC)cc3C1C2 MOL3621
-CC1(c2ccc3ccccc3c2)OC(=O)c2cccc(F)c21 MOL3622
-CC1(c2cccc3ccccc23)OC(=O)c2ccccc21 MOL3623
-Cc1ccc2c(c1)C(=O)CC1CC(=O)c3ccccc3C21 MOL3624
-COc1ccc(C2c3ccccc3C3(O)CC2CC(=O)O3)cc1 MOL3625
-Oc1c(N=Nc2ccccc2)c2cccc3ccc4cccc1c4c32 MOL3626
-Cn1c(=O)c([N+](=O)[O-])c2[nH]ncn2c1=O MOL3627
-CC[N+](CC)(CCNCC(N)=O)CC(N)=O MOL3628
-Cc1ccc(C[N+](C)(C)N)cc1C MOL3629
-COc1ccc(C[N+](C)(C)N)cc1OC MOL3630
-CC(=N[N+](C)(C)C)c1ccc(C)c(C)c1 MOL3631
-CCOc1ccc(C=N[N+](C)(C)C)cc1OCC MOL3632
-COc1cc(C=NNC(=O)C[N+](C)(C)C)cc(OC)c1OC MOL3633
-O=C(Nc1ccc(Cl)c(Cl)c1)OCCN1c2ccccc2Sc2ccccc21 MOL3634
-O=C(O)C(CCSSCCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL3635
-Cc1nc(N)nc(S)c1CCC(=O)O MOL3636
-Cc1cc(O)nc(NN=Cc2ccc(Cl)c(Cl)c2)n1 MOL3637
-CC(C)=CCC1=C(O)C(=O)C(CC=C(C)C)=C(O)C1=O MOL3638
-O=c1oc2ccc(O)cc2c2ccccc12 MOL3639
-Cc1ccc([S+](C)C)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1 MOL3640
-Cc1ccc(S[S+](C)c2ccc(C)cc2)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1 MOL3641
-N#CSC1CCCCCCC1SC#N MOL3642
-CC(C)=C1C(=O)NC(=O)C1C(N)=O MOL3643
-CCOC(=O)c1no[n+]([O-])c1C(=O)OCC MOL3644
-CC1(C)C2(C(N)=O)C(=O)NC(=O)C12C(=O)O MOL3645
-Cc1cc(C)c2c(c1)CC2(Cl)Cl MOL3646
-NC(=O)C12C(=O)NC(=O)C1(C(=O)O)C21CCCC1 MOL3647
-N#CC1(C#N)C(C#N)(C#N)C12CCCCC2Cl MOL3648
-CCOC(=O)C(C#N)=C1SSC(=C(C#N)C(=O)OCC)S1 MOL3649
-CN1C(=O)C2(C#N)C3(CCCC3)C2(C#N)C1=O MOL3650
-CC1=CC(C)(C)C(C#N)(C#N)C(N)=C1C#N MOL3651
-O=CNC12C(=O)NC(=O)C1(C(=O)O)C21CCCCC1 MOL3652
-Cc1c(C)c(C)c2c(c1C)CC2=O MOL3653
-N#CC12C(=O)NC(=O)C1(C#N)C2c1ccccc1 MOL3654
-CCOC(=O)C1(C#N)C(C#N)(C#N)C1(CC)CC MOL3655
-NC(=O)C12C(=O)NC(=O)C1(C(=O)O)C2C1CCCCC1 MOL3656
-CCOC(=O)C(Br)C#N.CCOC(=O)C1(C#N)C(C#N)(C#N)C12CCCCC2 MOL3657
-COC(=O)C1(C(=O)OC)C2(CCCC2)C1(C(=O)OC)C(=O)OC MOL3658
-CC1(C)CCCOc2ccc(C(=O)O)cc21 MOL3659
-N#CC1=C(N)C(C#N)(C#N)C2(CCCC2)C2CCC=C12 MOL3660
-ClC(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(C(Cl)(c3ccccc3)c3ccccc3)c2)c1 MOL3661
-O=C1NC(=O)C2(CC2)N1 MOL3662
-CC1(C)C(C(=O)O)C1C(=O)O MOL3663
-N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1 MOL3664
-CCC1(C)C(C#N)(C#N)C1(C#N)C#N MOL3665
-CCCC1C(C#N)(C#N)C1(C#N)C#N MOL3666
-Cc1c(C)c(C)c2c(c1C)CC2=NO MOL3667
-CC1CCCCC12C(C#N)(C#N)C2(C#N)C#N MOL3668
-N#CC1(C#N)C(C#N)(C#N)C12CCCCCC2 MOL3669
-O=C(O)C1C2CC(C1C(=O)O)C1C2N1S(=O)(=O)c1ccccc1 MOL3670
-O=C1OC(=O)C2C3CC(C12)C1C3N1S(=O)(=O)c1ccccc1 MOL3671
-NC(=O)C1C2CC3C(NC(=O)C31)C2O MOL3672
-CC1(CO)CCCC2(C)C1CCC1CC3C=CC12C1C(=O)OC(=O)C31 MOL3673
-Cc1cc(C=O)c(C)c2c1[nH]c1ccccc12 MOL3674
-CC(=O)OCC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)CC1OC(C)=O MOL3675
-CCCCOC(=O)c1c2nc3c(C(=O)OCCCC)ccc(C)c3oc-2c(C)c(=O)c1NC(C)=O MOL3676
-CSc1nnc(CF)c(O)n1 MOL3677
-Cc1nc2c(S)ncnc2n1Nc1ccccc1 MOL3678
-[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)sc1scc[n+]12 MOL3679
-[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1scc[n+]12 MOL3680
-Clc1ccc(SSc2ccc(Cl)cn2)nc1 MOL3681
-Cc1csc2[nH]c3ccccc3[n+]12.[O-][Cl+3]([O-])([O-])O MOL3682
-O=S(=O)(O)c1cccc2c1CN1CCCCC1C2 MOL3683
-[O-][Cl+3]([O-])([O-])O.c1ccc(-c2csc3[nH]c4ccccc4[n+]23)cc1 MOL3684
-CN(C)c1ccc(C=Cc2cc[n+]3cc(-c4ccccc4)sc3n2)cc1.[O-][Cl+3]([O-])([O-])O MOL3685
-Oc1cc2ccccc2c2sc(-c3ccccc3)c(-c3ccccc3)[n+]12.[O-][Cl+3]([O-])([O-])O MOL3686
-CC1(C)OC2=C(CC1Br)C(=O)C(=O)c1ccccc12 MOL3687
-Cc1ccc(S(=O)(=O)O)cc1.Oc1cnnc(O)n1 MOL3688
-COc1ccccc1C=CC(=O)C=Cc1ccccc1O MOL3689
-O=P(Cc1ccccc1)(Cc1ccccc1)P(Cc1ccccc1)Cc1ccccc1 MOL3690
-CC(=O)Nc1ccc(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)cn1 MOL3691
-CC(C)COC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1 MOL3692
-O=S1(=O)CCC(Br)c2ccccc2C1 MOL3693
-COc1ccc2c(c1OC)C1CCCCC1SCC2=O MOL3694
-O=C1CCCc2sccc21 MOL3695
-CCOC(=O)c1c(N)sc2c1CCCC2 MOL3696
-O=C1OC(=C(Cl)Cl)C2C3c4ccccc4C(c4ccccc43)C12 MOL3697
-CN1CCC23c4ccccc4NC1C21CCN(C)C3Nc2ccccc21 MOL3698
-CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C MOL3699
-COc1ccc(C(=O)C2COC(=O)C2=O)cc1OC MOL3700
-CC(C)(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL3701
-Clc1cc2cc3c(Br)coc3nc2cc1Cl MOL3702
-Clc1ccc2nc3occ(Br)c3cc2c1 MOL3703
-CCOC(=O)C(CO)c1nc2c(nc1O)c(=O)n(C)c(=O)n2C MOL3704
-C1CCNC1.O=C1Nc2ccccc2C1=Cc1cc(Cl)cc(Cl)c1O MOL3705
-Cn1c(=O)c2nc(O)c(C(CO)C(=O)c3ccccc3)nc2n(C)c1=O MOL3706
-S=C(NNc1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 MOL3707
-CCCCS(C)=NS(=O)(=O)c1ccc(C)cc1 MOL3708
-COc1cc2ccccc2ccc1=NO MOL3709
-Cc1ccc(C2(O)c3cccc4cccc(c34)C2(O)c2ccc(C)cc2)cc1 MOL3710
-CN1C(=N)C(=NO)C(=O)N(C)C1=O MOL3711
-c1ccc2nocc2c1 MOL3712
-Cn1cnc2c(C#N)c(C#N)nn2c1=O MOL3713
-O=c1ccc2ccccc2n1O MOL3714
-CN1CCc2c(sc(N)c2C#N)C1 MOL3715
-O=C1CCc2nc3ccccc3c(=O)n21 MOL3716
-COc1ccc2c(c1)CCc1cnoc1-2 MOL3717
-COc1ccc2c(c1)CCc1cnc(S)nc1-2 MOL3718
-CCOC(=O)CC(C#N)(CC(=O)OCC)C(=O)OCC MOL3719
-CCOC(=O)C(C#N)(Cc1ccc2ccccc2n1)Cc1ccc2ccccc2n1 MOL3720
-CN1C(=O)C(O)Nc2ncncc21 MOL3721
-O=C(O)c1onc2cc([N+](=O)[O-])ccc12 MOL3722
-CCn1cnc2[nH]cc(C#N)c2c1=O MOL3723
-Cn1cnc2nc3ncn(C)c3cc21 MOL3724
-CCOC(=O)C1(O)Nc2ncncc2N(C)C1=O MOL3725
-OCC1OC(n2ccc3c(O)ncnc32)C(O)C1O MOL3726
-c1ccc2sc(-c3c4ccccc4cc4c3ccc3ccccc34)cc2c1 MOL3727
-OC1(c2cccc3ccccc23)CCCc2cc3c(ccc4ccccc43)cc21 MOL3728
-Cn1c(=S)c2c(nc(SCCc3ccccc3)n2CCc2ccccc2)n(C)c1=O MOL3729
-CCOC(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)OCC MOL3730
-CCOC(=O)C=C1C(=O)N(Cc2ccccc2)c2ccccc21 MOL3731
-CCOC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21 MOL3732
-CC(=O)Nc1ccc(C=NNC(=S)NC2CN3CCC2CC3)cc1 MOL3733
-Cn1c(=O)[nH]c2nncnc2c1=O MOL3734
-CN(C)Cc1nc(O)nc(O)c1O MOL3735
-Cc1cc([N+](=O)[O-])c(O)nc1C MOL3736
-CCCCOP(=O)(N=COC(C)C)OCCCC MOL3737
-CN(CC(O)C(O)C(O)C(O)CO)CN1C(=O)C(=O)c2ccccc21 MOL3738
-Cc1cc(=O)c2c(o1)C(=O)c1occc1C2=O MOL3739
-CN1CCCC1C(=O)c1oc(CO)cc(=O)c1O MOL3740
-Oc1ccc(Cc2nccc3cc(O)c(O)cc23)cc1O MOL3741
-CC(=O)OC1CC2C(C)(C)CCCC2(C)C2C(=O)C(O)=C(C(C)C)C(=O)C12 MOL3742
-CC1CCC2N(C1)CC1C3(O)CC45OC6(O)C(O)CCC4(C)C6CCC5C3(O)CC(O)C1(O)C2(C)O MOL3743
-NNC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21 MOL3744
-Cc1ccc(Oc2nc(Cl)nc(Oc3ccc(C)cc3)n2)cc1 MOL3745
-O=C(NNc1nc(Cl)nc(Cl)n1)c1ccccc1 MOL3746
-Cc1ccc[n+]([NH-])c1N MOL3747
-O=S(=O)(c1ccc(I)cc1)c1ccc(I)cc1 MOL3748
-CC(=O)Nc1ccc(S(=O)(=O)N=C(C2CCCC2)N2CCCC2)cc1 MOL3749
-COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2 MOL3750
-Clc1cc(Cl)c(OCC#CI)cc1Cl MOL3751
-c1nn2cnnc2s1 MOL3752
-Cc1nn2cnnc2s1 MOL3753
-Cc1nnc2scnn12 MOL3754
-S=c1[nH]nc2scnn12 MOL3755
-CS(=O)(=O)Oc1nn2c(OS(C)(=O)=O)nnc2s1 MOL3756
-C1CCC(N2CSCSC2)CC1 MOL3757
-C[N+]12CCCCC1CC(=O)CC2 MOL3758
-CC(=O)OC12CCCCC(CCCC1)O2 MOL3759
-CN1CCCCCC(=NO)C(=NO)CCCCC1 MOL3760
-OC12CCC[N+]1(Cc1ccccc1)CCC2.[O-][Cl+3]([O-])([O-])O MOL3761
-O=C1C(=Cc2ccccc2Cl)CCCCC1=Cc1ccccc1Cl MOL3762
-CCOC(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 MOL3763
-CN1CCCCCCCC(=O)C(OC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCCC1 MOL3764
-OCCNc1nc(Cl)nc(Cl)n1 MOL3765
-CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL3766
-CN1CN(C)N(C(=O)c2ccccc2)CN1C(=O)c1ccccc1 MOL3767
-c1ccc(CNN2CN(NCc3ccccc3)CN(NCc3ccccc3)C2)cc1 MOL3768
-COc1ccc2c(c1)CCC2=CCC1(C)C(=O)CCC1=O MOL3769
-CC1(C)NC(=S)NC1=O MOL3770
-NCCN(CCN)CCN MOL3771
-O=C1N(Cl)C2C(N1Cl)N(Cl)C(=O)N2Cl MOL3772
-CCOC(=O)C=CCP(=O)(OCC)OCC MOL3773
-CCOP(=O)(NC1CCCCC1)OCC MOL3774
-O=C1OC(=O)C2CC3C(CC12)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl MOL3775
-O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12 MOL3776
-CN1C2CCC1CC(OC(=O)C1CCC(C(=O)OC3CC4CCC(C3)N4C)(c3ccccc3)c3ccccc31)C2.O=S(=O)(O)O MOL3777
-Oc1nc2cc(Cl)ccc2c2ccc(Cl)cc12 MOL3778
-CN(C)c1ccc(C=CC=C2C=Cc3ccccc32)cc1 MOL3779
-NCCCc1c(O)nc(N)nc1-c1ccccc1 MOL3780
-CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O.O=S(=O)(O)O MOL3781
-O=P(Nc1ccccn1)(N1CC1)N1CC1 MOL3782
-NC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(N)=O)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1 MOL3783
-CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCC)cc(C4=NCCN4)c3)cc2)cc(C2=NCCN2)c1 MOL3784
-NC(CC(=O)N=CNO)C(=O)O MOL3785
-CCC(O)(C(=O)O)c1cc2n(c(=O)c1CO)Cc1cc3ccccc3nc1-2.[NaH] MOL3786
-O=C(O)Cc1cccc(=O)c(O)c1C(=O)O MOL3787
-O=C1C(=O)N2CCCCc3cccc1c32 MOL3788
-O=C(O)C12CC=CCC1(C(=O)O)CC=CC2 MOL3789
-COc1ccc(-c2ccccc2)cc1S MOL3790
-CC1(C)CN(CCC#N)C(c2ccc([N+](=O)[O-])cc2)O1 MOL3791
-CCOC(=O)c1cc2ccccc2cc(C(=O)OCC)c1=O MOL3792
-COC(=O)CC(=O)C(=CCC(C=C(C(=O)CC(=O)OC)C(=O)OC)OC)C(=O)OC MOL3793
-CCOCC1c2ccccc2CCN1Cc1c[nH]c2ccccc12 MOL3794
-COc1cc(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(NC(C)=O)c(OC)c1OC MOL3795
-COc1ccc(-c2ccccc2)cc1SSc1cc(-c2ccccc2)ccc1OC MOL3796
-CCOC(=O)C(Cl)C1(O)Cc2cccc3cccc1c23 MOL3797
-COc1ccc(C=C2Cc3cccc4c([N+](=O)[O-])ccc2c34)cc1 MOL3798
-O=C(O)CC1(CC(=O)Nc2nccs2)CCCCC1 MOL3799
-CC(C)(C)C1CCC(CC(=O)O)(CC(=O)Nc2nccs2)CC1 MOL3800
-Cc1csc(N2C(=O)c3cccc4cccc(c34)C2=O)n1 MOL3801
-O=C1NC(=O)C2C3C(C(O)(c4ccccc4)c4ccccn4)=CC(C3=C(c3ccccc3)c3ccccn3)C12 MOL3802
-c1cc2c3c(c1)Ic1cccc(c1-3)I2 MOL3803
-COc1ccc(C23OC2Oc2cc(OC4CCCCO4)ccc2C3=O)cc1 MOL3804
-CN(N)c1nc(N)c(C#N)c(C#N)c1C#N MOL3805
-COc1cccc(C=N[N+](C)(C)C)c1O MOL3806
-COc1cc(CNCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL3807
-CN(C)c1nc(N)c(C#N)c(C#N)c1C#N MOL3808
-CON(C)c1nc2ccccc2o1 MOL3809
-CON(C)c1nc(Cl)nc(Cl)n1 MOL3810
-O=S(=O)(O)OC1CCCC1S(=O)(=O)O MOL3811
-Cc1ccccc1NP1(=O)OCCCN1Cc1ccc(Cl)c(Cl)c1 MOL3812
-O=C(NCCCl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 MOL3813
-C=CC1CN2CCC1CC2C(=O)c1ccnc2ccccc12 MOL3814
-C(=Nc1cnc2ccccc2c1)c1ccccn1 MOL3815
-C(=Nc1cnc2ccccc2c1)c1cccnc1 MOL3816
-C(=Nc1cnc2ccccc2c1)c1ccncc1 MOL3817
-C(=Nc1cccnc1)c1ccc2ccccc2n1 MOL3818
-C(=Nc1cnc2ccccc2c1)c1ccc2ccccc2n1 MOL3819
-Nc1nc(O)c(CCCCc2ccccc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL3820
-ClCCl.O=c1c(N(CCO)CCO)cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 MOL3821
-O=C1C(SCCO)=C(SCCO)C(=O)c2[nH]cnc21 MOL3822
-Cc1nc2c(nc1C)C(=O)C=CC2=O MOL3823
-Nc1c(N=O)c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 MOL3824
-O=C(O)C(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1Br)OCO2 MOL3825
-Oc1ncnc2[nH]ncc12 MOL3826
-Cn1c2c(c(=O)[nH]c1=O)OCN(Cc1ccccc1)C2 MOL3827
-Oc1nc(-c2ccccc2)nc2c1OCN(Cc1ccccc1)C2 MOL3828
-CN1COc2c(O)nc(-c3ccccc3)nc2C1 MOL3829
-Cc1nc(O)c2c(n1)CN(C)CO2 MOL3830
-Cn1cc2c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)nc-2[nH]1 MOL3831
-Cn1ncc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c21 MOL3832
-O=c1[nH]c2ncccc2c(=O)n1OS(=O)(=O)c1ccccc1 MOL3833
-O=c1[nH]c2ncccc2c(=O)n1O MOL3834
-O=C1c2ccccc2C(=O)N1OCCCCON1C(=O)c2ccccc2C1=O MOL3835
-CC1(C)OC2OC(COC(=O)c3ccccc3)C(=O)C2O1 MOL3836
-O=P1(Nc2ccccc2)OCCCN1Cc1ccc(Cl)c(Cl)c1 MOL3837
-Sc1ccccc1-n1c(-c2ccccc2)ccc1-c1ccccc1 MOL3838
-Nc1nc(N)nc(CC(=O)O)n1 MOL3839
-O=S1(=O)C(=CC2CCCCC2)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1 MOL3840
-O=S1(=O)CC2C1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21 MOL3841
-CC(C)NC(=O)C=CC=Cc1ccc(Cl)cc1 MOL3842
-COc1ccc(-c2oc3cc(OC)ccc3c(=O)c2O)cc1 MOL3843
-COC1(c2ccccc2)Oc2ccccc2C(=O)C1(O)C[N+](=O)[O-] MOL3844
-O=C1C(=O)C(c2ccccc2)Oc2ccccc21 MOL3845
-COc1ccc(C2(OC)Oc3ccccc3C(=O)C2(O)O)cc1 MOL3846
-COc1ccc(C2(OC)Oc3cc(OC)ccc3C(=O)C2(O)OC)cc1 MOL3847
-COc1ccc(C2(OC)Oc3ccccc3-c3nc4ccccc4nc32)cc1 MOL3848
-COC1(O)C(=O)c2ccccc2OC1(OC)c1ccc(Cl)cc1 MOL3849
-Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1 MOL3850
-COc1ccc2c(c1)OC(OC)(c1ccc(OC)c(OC)c1)C(O)(OC)C2=O MOL3851
-COc1ccc(C2(OC)Oc3cc(OC)ccc3C(=O)C2(O)O)cc1 MOL3852
-O=c1c(O)c(-c2ccc(Cl)cc2)oc2ccccc12 MOL3853
-COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1 MOL3854
-COc1ccc2c(c1)OC(OC)(c1ccccc1)C(O)(OC)C2=O MOL3855
-COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1OC MOL3856
-CCOC1(O)C(=O)c2ccccc2OC1(OCC)c1ccccc1 MOL3857
-COc1ccc(C2(OC)Oc3ccccc3C(=O)C2(O)OC)cc1OC MOL3858
-COc1ccc2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1 MOL3859
-O=c1c(O)c(-c2ccc(-c3oc4ccccc4c(=O)c3O)cc2)oc2ccccc12 MOL3860
-O=C1c2ccccc2-c2oc(=O)c3ccccc3c21 MOL3861
-O=C1OC(=C2OCc3ccccc32)c2ccccc21 MOL3862
-Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL3863
-O=C1c2ccccc2-c2c(Br)c3ccccc3c(=O)n21 MOL3864
-O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1 MOL3865
-C1=C(c2ccccc2)N2CCN=C2S1 MOL3866
-O=C1NC(=S)SC1=Cc1c[nH]c2ccccc12 MOL3867
-NNC(=O)c1nnc(NN)nc1O MOL3868
-CCOC(=O)C(=Cc1ccc(C)cc1)P(=O)(OCC)OCC MOL3869
-CCOC(=O)C(=Cc1ccc(OC)cc1)P(=O)(OCC)OCC MOL3870
-CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)P(=O)(OCC)OCC MOL3871
-CCOC(=O)C(=Cc1cccc2ccccc12)P(=O)(OCC)OCC MOL3872
-O=c1oc2ccccc2cc1P(=O)(O)O MOL3873
-CN1COc2c(n(C)c(=O)[nH]c2=O)C1 MOL3874
-O=[N+]([O-])c1ccc(C2OC3CC4C5CCCC5C3C4O2)cc1 MOL3875
-OC1(C2(O)CCC2)CCC1 MOL3876
-COc1c(OC)c(OC)c2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c1OC MOL3877
-Nc1ccc2c(c1)C1(NC(=O)NC1=O)c1cc(N)ccc1-2 MOL3878
-O=c1ccc(=O)n(CCc2ccccn2)[nH]1 MOL3879
-CC12NC(=O)NC(=O)N1CCS2 MOL3880
-CC(C)C12NC(=O)NC(=O)N1CCS2 MOL3881
-O=C1NC(=O)N2CCSC2(Cc2ccccc2)N1 MOL3882
-CCCCCCCC[Sn](Cl)(Cl)CCCCCCCC MOL3883
-COP(=O)(OC)c1nc(P(=O)(OC)OC)nc(P(=O)(OC)OC)n1 MOL3884
-C[N+](C)(C)CCCS(=O)(=O)O MOL3885
-CC1CNC2C(C)C3C(CC4C5CCC6CC(N)CCC6(C)C5CCC43C)OC2(O)C1 MOL3886
-OC1Cn2cc(Br)c[n+]2C1 MOL3887
-Cc1ccn2[n+]1CC(O)C2 MOL3888
-Cn1ncc2c(N(N)CCO)nc(-c3ccc([N+](=O)[O-])o3)nc21 MOL3889
-CS(=O)(=O)OCCCNCCCOS(C)(=O)=O MOL3890
-CN1CCC(O)(c2ccc(F)cc2)C(C(=O)c2ccc(F)cc2)C1 MOL3891
-O=S1(=O)CC2(N3CCOCC3)CCCCC21 MOL3892
-CCOc1ccccc1C1N2CCN(CC2)C(c2ccccc2OCC)N2CCN1CC2 MOL3893
-CCOCCOCCCNCC(=O)N1CCN(C(=O)CNCCCOCCOCC)CC1 MOL3894
-COc1cc(OC)c2ccc(=O)oc2c1 MOL3895
-CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O MOL3896
-CCCCCC1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O MOL3897
-OCCN1CC2CCCC1O2 MOL3898
-O=C1ON(c2ccccc2)C(c2ccccc2)N1c1ccccc1 MOL3899
-O=C1C2(Cl)C3(Cl)C4(OCCO4)C4(Cl)C2(Cl)C2(Cl)C1(Cl)C3(Cl)C42Cl MOL3900
-ClC1(Cl)C2(Cl)C3(Cl)C4C2(Cl)C2(Cl)C4(Cl)C3(Cl)C12Cl MOL3901
-O=C(O)C1(Cl)C2(Cl)C(Cl)=CC3(Cl)C(Cl)(C(=O)O)C2(Cl)C31Cl MOL3902
-CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2O MOL3903
-CSc1n[n+](C)c2cc(C)c3ccccc3n12 MOL3904
-COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Cl)cc(Cl)c2O)c(OC)c1 MOL3905
-N#CC1C(=O)NC(=O)C(C#N)C12CCCC(C(F)(F)F)C2 MOL3906
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCN1 MOL3907
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCCN1C(=O)OCc1ccccc1 MOL3908
-O=C1C(O)=C(CCCCCCCCC2CCCCC2)C(=O)c2ccccc21 MOL3909
-CCN(CCO)c1ccc(N=O)cc1 MOL3910
-COC(=O)CC1C(=O)OC23CCC1C2(C)CCC1C3CCC2CC(OC(C)=O)CCC21C MOL3911
-COc1cc(O)c2c(c1O)C(=O)c1cc(C)ncc1C2=O MOL3912
-CC(=O)Nc1ccc(C=NNc2nnc(NN=Cc3ccc(NC(C)=O)cc3)c3ccccc23)cc1 MOL3913
-CCOC(=O)NP(=O)(Nc1ccc(C)cc1)Nc1ccc(C)cc1 MOL3914
-CCOC(=O)NP(=O)(Nc1ccccn1)Nc1ccccn1 MOL3915
-CCOC(=O)NP(=O)(Nc1ccccc1)Nc1ccccc1 MOL3916
-CCOC(=O)NP(=O)(NC1CCCCC1)NC1CCCCC1 MOL3917
-Cc1ccc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)cc1Cl MOL3918
-Cc1cc(Cl)nc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)n1 MOL3919
-Cc1ncc(C(N)=O)c2c1OC(C)(C)OC2 MOL3920
-c1ccc2c(c1)[nH]c1c[n+]3c(c[n+]12)[nH]c1ccccc13 MOL3921
-CC(C)(C)C1CCC2(CC1)CC(=O)N(N1CCCCCC1)C(=O)C2 MOL3922
-CC(C)(C)C1CCC2(CC1)CCN(N1CCCCCC1)CC2 MOL3923
-NC(=S)NN=C1CCCCC1=NNC(N)=S MOL3924
-CC(=O)N(C)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL3925
-CN(C)c1ccc(C=Nc2ccc(C=C3C=Cc4ccccc43)cc2)cc1 MOL3926
-COc1ccc2c3c([n+](C)cc2c1OC)-c1cc2c(cc1C3)OCO2.O=[N+]([O-])O MOL3927
-COP(=O)(OC)OC1C(=O)NC(=O)NC1=O MOL3928
-COc1nc(OC)n(C)c(=O)c1OP(=O)(OC)OC MOL3929
-Brc1csnn1 MOL3930
-c1snnc1-c1cnns1 MOL3931
-CN(C)c1ccc2nc3c(C(=O)O)cc(O)c(O)c3[o+]c2c1 MOL3932
-Nc1nc(O)ncc1F MOL3933
-O=C1C2C(C(=O)N1c1ccccc1)C(c1ccccc1)N(c1ccccc1)C2c1ccccc1 MOL3934
-CCCC1N=C(c2ccccc2)C2C(c3ccc([N+](=O)[O-])cc3)N12 MOL3935
-CC1=NS(=O)(=O)NC(C)(C)C1 MOL3936
-CC(C)(N)Cc1ccccc1Cl MOL3937
-CC1CCOS(=O)O1 MOL3938
-O=c1[nH]c2cnn(-c3ccccc3)c2c(=O)n1O MOL3939
-O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1O MOL3940
-O=c1ccn(Cc2ccccc2)c(=S)[nH]1 MOL3941
-O=c1[nH]c2cnn(-c3ccccc3)c2c(=O)n1OS(=O)(=O)c1ccccc1 MOL3942
-O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1OS(=O)(=O)c1ccccc1 MOL3943
-N=c1ncn(C(N)=O)[nH]1 MOL3944
-COc1ccc(C(=O)C(Br)=CC(=O)O)cc1 MOL3945
-O=[N+]([O-])c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL3946
-C=CCN(CC=C)c1nc(Cl)nc(Cl)n1 MOL3947
-O=S(=O)(ON=C1C=CC(=NOS(=O)(=O)c2ccccc2)C=C1)c1ccccc1 MOL3948
-O=Nc1ccc(N(CCO)CCO)cc1 MOL3949
-Cc1cc2c(cc1C)C(=O)C(=O)N2 MOL3950
-CCCCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCCC)cc(C4N=CCN4)c3)cc2)cc(C2=NCCN2)c1 MOL3951
-CCOC(=O)c1[nH]c2c(OCC)nc(OCC)nc2c1Br MOL3952
-Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)O1 MOL3953
-NCC1OC(n2cnc3c(N)ncnc32)CC1O MOL3954
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C)CC3 MOL3955
-COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4 MOL3956
-Oc1nc2ccc3nc(O)c4ccc1c2c34 MOL3957
-O=C1C(c2c[nH]c3ccccc23)=Nc2ccc(Br)cc21 MOL3958
-O=Nn1cc(-c2cc3ccccc3n2N=O)c2ccccc21 MOL3959
-O=C1C(=C2Nc3cc4c(cc3C2=O)OCO4)Nc2cc3c(cc21)OCO3 MOL3960
-COc1ccc(CC(=O)C2C(=O)N(C)c3ccccc32)cc1OC MOL3961
-O=C1c2cc([N+](=O)[O-])ccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12 MOL3962
-Cc1ccc(O)c(N=O)c1 MOL3963
-O=[N+]([O-])c1ccc(O)c(CN(Cc2ccccc2)Cc2c(O)ccc3ccccc23)c1 MOL3964
-Cc1c2c(cc3c1OCN(Cc1ccccc1)C3)CN(Cc1ccccc1)CO2 MOL3965
-CCOC(=O)NC(NC(=O)OCC)C(NC(=O)OCC)NC(=O)OCC MOL3966
-OC(OCC(COC(O)C(Br)Br)(COC(O)C(Br)Br)COC(O)C(Br)Br)C(Br)Br MOL3967
-CC1(C)NC(=O)N(C(C)(C)C(=O)O)C1=O MOL3968
-COc1ccc2c(c1O)C13CCN(C)C(C2)C12C=CC(=O)C3c1c(O)ccc(O)c12 MOL3969
-COc1ccc2c3c1OC1C4(OC)C=CC5(c6c(OC)ccc(O)c64)C(C2)N(C)CCC315 MOL3970
-O=C(Cc1ccccc1)c1ccc(O)cc1O MOL3971
-CC(C)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O MOL3972
-O=C1c2cccc3cccc(c23)C(=O)N1c1ncn[nH]1 MOL3973
-Cc1ccc(C(CO)(CO)OC(CO)(CO)c2ccc(C)c(C)c2)cc1C MOL3974
-CC1=Nc2ccccc2N=C(C)C1 MOL3975
-Cc1ccc(S(=O)(=O)N2CC(O)C=Cc3ccccc32)cc1 MOL3976
-c1ccc(C2=Nc3ccccc3N=C3CCCC32)cc1 MOL3977
-CCOC(=O)C1(Br)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O MOL3978
-O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 MOL3979
-CC1(C)C(=C(C#N)C#N)C(C)(C)C1=C(C#N)C#N MOL3980
-NNC(=O)NP(=O)(NC(=O)NN)NC(=O)NN MOL3981
-O=C(NNc1ccccc1)NP(=O)(NC(=O)NNc1ccccc1)NC(=O)NNc1ccccc1 MOL3982
-NC1=C(Br)C(=O)c2ncccc2C1=O MOL3983
-CC(=O)OCC1OC(n2cnc([N+](=O)[O-])c2Br)C(OC(C)=O)C1OC(C)=O MOL3984
-O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1 MOL3985
-C=CCOc1cc2c(ccc1=O)-c1c(cc(OC)c(OC)c1OC)CCC2NC(C)=O MOL3986
-COc1cc2c(C)cc(=O)oc2cc1O MOL3987
-O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL3988
-O=C(CCCC(=O)NN=Cc1ccc(O)c(O)c1)NN=Cc1ccc(O)c(O)c1 MOL3989
-O=C(NP(=O)(Nc1ccccc1)Nc1ccccc1)N1CC1 MOL3990
-CCOC(=O)NP(=O)(NNc1ccccc1)NNc1ccccc1 MOL3991
-CCOC(=O)NP(=O)(NC(=O)OCC)NC(=O)OCC MOL3992
-CCOC(=O)C(C)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 MOL3993
-CCOC(=O)C(C)(c1c(C)n(C)c2ccccc12)c1c(C)n(C)c2ccccc12 MOL3994
-CCOC(=O)N1C=Cc2c(c3ccccc3n2C)N1C(=O)OCC MOL3995
-CCCC1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 MOL3996
-Nc1c2c(nc(O)c1N=O)CCC2 MOL3997
-O=C1OC(=O)C2C1C=C(c1ccccc1)C1C3C=CC(C4C(=O)OC(=O)C34)C21 MOL3998
-O=C1C(c2ccccc2)C2C=CC(C2)N1O MOL3999
-CC1(CCC#N)CCC(=N)C=C1O MOL4000
-Cc1ccc2nn(-c3ccc(O)cc3)[n+](=O)[c-]2c1 MOL4001
-Cc1ccc2nn(-c3ccc(O)cc3)nc2c1 MOL4002
-CCOC1(OCC)C([N+](=O)[O-])=CC(=[N+]([O-])[O-])C=C1[N+](=O)[O-] MOL4003
-O=C(Cc1ccccc1)ONC(CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(CCCCNC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)cc2)cc1 MOL4004
-CC(=O)OC1C2OC2C2OC2(COC(=O)c2ccccc2)C1OC(C)=O MOL4005
-CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C MOL4006
-COC1Nc2c(ccc(C)c2O)C(=O)N2C=C(C=CC(N)=O)CC12 MOL4007
-CCC(=O)OCNC(=O)NNC(=O)CCCC(=O)NNC(=O)NCOC(=O)CC MOL4008
-O=C(CCCC(=O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 MOL4009
-O=C1CCCC(=O)NNC(=O)Nc2ccc(cc2)Cc2ccc(cc2)NC(=O)NN1 MOL4010
-O=C1CCCC(=O)NNC(=O)NCCCCCCNC(=O)NN1 MOL4011
-CC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O MOL4012
-Nc1ccc(C=CC2(CCl)OCCO2)cc1 MOL4013
-COc1ccc2c(c1)C13CCCC(C)(C(=O)NC1)C3CC2 MOL4014
-Cc1ncc(CC#N)c2c1OC(C)(C)OC2 MOL4015
-CNC(=NCc1ccccc1)NC.O=S(=O)(O)O MOL4016
-CC(=O)Nc1ccc(OC(C)(C)C)cc1 MOL4017
-COc1ccc(OC)c(C(O)C(C)NC(C)(C)C)c1 MOL4018
-O=[N+]([O-])OCC(O[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-] MOL4019
-COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC MOL4020
-C[N+](C)(CCOc1ccccc1)Cc1cccs1.O=S(=O)(O)c1ccc(Cl)cc1 MOL4021
-Cc1nc(NCc2ccccc2)c2cc[nH]c2n1 MOL4022
-CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12 MOL4023
-O=c1[nH]c2nn(-c3ccccc3)cc2c(=O)n1OS(=O)(=O)c1ccccc1 MOL4024
-O=c1[nH]c2cn(-c3ccccc3)nc2c(=O)n1O MOL4025
-O=c1[nH]c2nn(-c3ccccc3)cc2c(=O)n1O MOL4026
-Oc1ccnc(SSc2nccc(O)n2)n1 MOL4027
-CNC(=S)NNC(=O)NP(=O)(NC(=O)NNC(=S)NC)NC(=O)NNC(=S)NC MOL4028
-CNNC(=O)NP(=O)(NC(=O)NNC)NC(=O)NNC MOL4029
-COC(=O)C(NC(=O)C(C)NC(=O)OC(C)(C)C)C(C)O MOL4030
-O=C1CCCc2nc(O)ccc21 MOL4031
-CCCCCCN(CCCCCC)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN(CCCCCC)CCCCCC)cc2)cc1 MOL4032
-CCCCCCN(CCCCCC)C(F)(F)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(F)(F)N(CCCCCC)CCCCCC)cc2)cc1 MOL4033
-CC(C)(CCCCC(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)Nc1ccc(Cl)c(Cl)c1 MOL4034
-N#CCC1COc2ccccc2O1 MOL4035
-CCN(CC)CCNc1nc(N)c(C#N)c(C#N)c1C#N MOL4036
-CON(C)c1nc(Cl)nc(N(C)OC)n1 MOL4037
-COc1cc(C(=O)N(C)N(C)C)cc(OC)c1OC MOL4038
-N#CCCN(CCC#N)C(=O)Nc1cccc2ccccc12 MOL4039
-CC(O)CN1c2ccccc2Sc2ccc(Cl)cc21 MOL4040
-CC(Cl)CN1c2ccccc2Sc2ccc(Cl)cc21 MOL4041
-CCOC(=O)C(CC1COc2ccccc2O1)C(=O)OCC MOL4042
-O=C(O)CCC1COc2ccccc2O1 MOL4043
-CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1 MOL4044
-O=C(NC1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCC2 MOL4045
-CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I MOL4046
-O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c(O)c12 MOL4047
-O=C1c2cccc3cccc(c23)C(=O)N1Cc1ccccc1 MOL4048
-CC(C=CC(O)=C1C(=O)CNC1=O)=CC(C)C1OC2(C)OC(C(=O)C3OC32C)C1C MOL4049
-Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1 MOL4050
-CC[N+]12CC[N+](CC)(CC1)C2.[O-][Cl+3]([O-])([O-])O MOL4051
-COc1cc(C[N+]23CC[N+](Cc4cc(OC)cc(OC)c4)(CC2)C3)cc(OC)c1 MOL4052
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1 MOL4053
-O=C(Oc1ccc(N=Cc2ccc3c(c2)OCO3)cc1)Oc1ccc(N=Cc2ccc3c(c2)OCO3)cc1 MOL4054
-[N-]=[N+]=NC(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 MOL4055
-C=CC(C)(C)c1c(OC(C)=O)cc2oc3c(OC(C)=O)c(OC(C)=O)cc(CC=C(C)C)c3c(=O)c2c1O MOL4056
-CC1c2nc(N)nc(N)c2CN1C(=O)c1ccccc1 MOL4057
-Cc1nc(N)c2c(n1)C(C)N(C(=O)c1ccccc1)C2 MOL4058
-NC(=S)NN=Cc1ccc(O)cn1 MOL4059
-COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(OC7OC(C)(C)C(OC)C(OC(=O)c8ccc(C)[nH]8)C7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C MOL4060
-O=C1C=C2C=CC3CC2(O1)C1CCCCN31 MOL4061
-O=C1C=C2C=CC3CC2(O1)C1CCCCN31 MOL4062
-CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1 MOL4063
-CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I MOL4064
-COc1ccccc1N1CCN(CCc2c[nH]c3cc4c(cc23)OCO4)CC1.O=C(O)C(O)C(O)C(=O)O MOL4065
-CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl MOL4066
-CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I MOL4067
-CC(=O)Nc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL4068
-CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)C=CC(=O)O MOL4069
-NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O MOL4070
-CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C MOL4071
-Cn1nc(Br)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O MOL4072
-CC1C(Cl)(Cl)C1(C)C=CC1C(C)(C)C1(Cl)Cl MOL4073
-N#CCC(=O)NN=Cc1ccc2c(c1)OCO2 MOL4074
-O=C1C(O)=C(Sc2ccccc2)C(=O)c2ccccc21 MOL4075
-CS(=O)(=O)OCCCS(=O)(=O)O MOL4076
-CCC(O)(COC(N)=O)c1ccccc1 MOL4077
-Cc1nccc2c(C(=O)O)c(C(=O)O)[nH]c12 MOL4078
-COC1OC2COC(c3ccccc3)OC2C2OC(=S)OC12 MOL4079
-CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 MOL4080
-Cc1cc2c(cc1C)NC(=O)CC(c1ccccc1)=N2 MOL4081
-CCCCCCCCCCCCCCCCCC1=Nc2ccccc2NC(=O)C1 MOL4082
-CCCCCCCCCCCCCCCCCC1=Nc2cc(C)c(C)cc2NC(=O)C1 MOL4083
-COc1cc(N=Nc2ccc3c(c2)Cc2ccccc2-3)c(OC)cc1N MOL4084
-Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1 MOL4085
-O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(O)nc2c1O MOL4086
-CNS(=O)(=O)c1ccccc1C(C)(O)c1ccccc1 MOL4087
-CN1C(c2ccccc2)(c2ccccc2)c2ccccc2S1(=O)=O MOL4088
-O=S1(=O)c2ccccc2C(c2ccccc2)(c2ccccc2)N1c1ccccc1 MOL4089
-CN1C(C)(c2ccccc2)c2ccccc2S1(=O)=O MOL4090
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(Cn1c(=O)cc(C)c2ccc(C)c(C)c21)OC(C)=O MOL4091
-CCN(CC)c1ccc(N=Cc2cc(=O)n(C)c3ccccc23)cc1 MOL4092
-CCOC(=O)Cn1c(=O)cc(C=O)c2ccccc21 MOL4093
-Cc1cc(=O)n(CC(=O)O)c2ccccc12 MOL4094
-Cn1c(=O)cc(CNc2ccc(-c3ccccc3)cc2)c2ccccc21 MOL4095
-Cn1c(=O)cc(C=Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 MOL4096
-CC(=Cc1cc(=O)n(C)c2ccccc12)[N+](=O)[O-] MOL4097
-Cn1c(=O)cc(C=Nc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 MOL4098
-Cn1c(=O)cc(C=Nc2ccc(O)cc2)c2ccccc21 MOL4099
-Cn1c(=O)cc(C=Cc2ccnc3ccccc23)c2ccccc21 MOL4100
-Cn1c(=O)cc(C=Nc2ccc(C(=O)O)cc2)c2ccccc21 MOL4101
-Cn1c(=O)cc(C=Nc2ccc(-c3ccccc3)cc2)c2ccccc21 MOL4102
-CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL4103
-O=C(O)c1[nH]c2c(O)nc(O)nc2c1Br MOL4104
-OCC1OC(n2cnc3cncnc32)CC1O MOL4105
-CC1(N)COP(=O)(NCc2ccccc2)OC1 MOL4106
-O=C1c2cccc3cccc(c23)C(=O)N1O MOL4107
-CCCCCCCCOP(=O)(C=Cc1ccccc1)OCCCCCCCC MOL4108
-COc1c2c(cc3c1C1(O)Cc4ccc5c(c4C[N+]1(C)CC3)OCO5)OCO2 MOL4109
-CCN(CC)CCCNc1ncnc2c1C(c1ccccc1)c1ccccc1-2 MOL4110
-Oc1ncnc2c1C(c1ccccc1)c1ccccc1-2 MOL4111
-COc1ccc(C=C2CSC(=O)NC2=O)cc1OC MOL4112
-CC(=C(SSC(C(=O)O)=C(C)c1cccc(O)c1)C(=O)O)c1cccc(O)c1 MOL4113
-c1ccc2c(c1)NC(SSC1Nc3ccccc3S1)S2 MOL4114
-O=c1c(=Cc2ccc(Cl)c(Cl)c2)sc2n1CCN=2 MOL4115
-O=c1c(=Cc2ccccc2Cl)sc2n1CCN=2 MOL4116
-O=[N+]([O-])c1ccc(C2=CSC3=NCCN23)cc1 MOL4117
-CC(C)c1ncc([N+](=O)[O-])n1C MOL4118
-Oc1c(CN2CCOCC2)cc(N=Nc2ccccc2)c(O)c1CN1CCOCC1 MOL4119
-CN(Cc1c(S)ccc2ccccc12)Cc1c(S)ccc2ccccc12 MOL4120
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL4121
-O=c1c2cc([N+](=O)[O-])ccc2sc2ccsc12 MOL4122
-NC(=O)C1C(=O)c2cccc3c2C1CCCC3 MOL4123
-N=C1SCC(=O)N1CCN1C(=N)SCC1=O MOL4124
-Cc1ccc(-c2cc(=S)ss2)cc1 MOL4125
-N#CC1(C#N)OC12CCS(=O)(=O)c1ccccc12 MOL4126
-Cn1c(=O)cc(CC(=O)C(=O)O)c2ccccc21 MOL4127
-O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1 MOL4128
-O=P1(NCCCl)OCCCN1CCCl MOL4129
-CCOC(=O)C(=O)Cc1cc(=O)n(C)c2ccccc12 MOL4130
-CCOC(=O)Cc1cc(=O)n(C)c2ccccc12 MOL4131
-Cn1c(=O)cc(CC(=O)O)c2ccccc21 MOL4132
-Cn1c(=O)cc(CC#N)c2ccccc21 MOL4133
-COC1C=CC23c4cc5c(cc4C(O)OC2CN(C)C3C1)OCO5 MOL4134
-NC1(C(=O)O)CSSC1 MOL4135
-c1ccn2nnnc2c1 MOL4136
-CC(=O)Oc1cccnc1O MOL4137
-CC1(Cl)C(=O)NN=C1c1ccc([N+](=O)[O-])cc1 MOL4138
-COc1ccc(C2=NNC(=O)C2(C)Br)cc1 MOL4139
-COc1ccc(C2(Br)C(=O)NN=C2C)cc1 MOL4140
-CC(=O)CC(C)(C)S(=O)(=O)O MOL4141
-O=C(Nc1cccc2nsnc12)c1ccc(C(=O)Nc2cccc3nsnc23)cc1 MOL4142
-Nc1ncnc2c1ncn2C1SC(CO)C(O)C1O MOL4143
-CC(O)C(O)C(N)CC=O MOL4144
-Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1 MOL4145
-CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 MOL4146
-Brc1ccc(C=C2C=Cc3ccccc32)cc1 MOL4147
-Ic1ccc(C=C2C=Cc3ccccc32)cc1 MOL4148
-CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1 MOL4149
-CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O MOL4150
-COc1nccnc1NS(=O)(=O)c1ccc(N)cc1 MOL4151
-c1ccc(CCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4152
-OCC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4153
-C=C=C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4154
-CC(O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4155
-c1ccc([PH](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1 MOL4156
-c1ccc([PH](CC2CCCO2)(c2ccccc2)c2ccccc2)cc1 MOL4157
-O=Cc1ccccc1OCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4158
-COc1ccc2ccccc2c1Br MOL4159
-CC12c3ccccc3C(c3ccccc31)C1C(=O)OC(=O)C12 MOL4160
-CCC1([N+](=O)[O-])COP(N)(=O)OC1 MOL4161
-Nc1ncnc2c1nc1n2C2OC(CO)C(O)C2O1 MOL4162
-CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2C1C(=O)O MOL4163
-CN(C(=S)Nc1ccccc1)c1cc(N2CCCC2)ccn1 MOL4164
-O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1cc(N2CCOCC2)ccn1 MOL4165
-O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1cc(Cl)ccn1)C1CCCCC1 MOL4166
-CC(=O)Nc1ccc(SS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL4167
-CS(=O)(=O)NC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4168
-O=C(O)c1ccccc1C(=O)c1ccc(F)cc1 MOL4169
-O=C(N=NC(=O)Oc1ccccc1)Oc1ccccc1 MOL4170
-CC(=O)NC(CS)C(=O)O MOL4171
-OCC(CO)c1cnnc2ccccc12 MOL4172
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1 MOL4173
-CCCCCCCCCCCCCCNC1=C(OC)C(=O)C(NCCCCCCCCCCCCCC)=C(OC)C1=O MOL4174
-CN1C(=O)C(=NNC(=O)Cc2c[nH]c3ccccc23)c2ccccc21 MOL4175
-Cc1cccnc1NC(=O)NCCCl MOL4176
-Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 MOL4177
-O=C(O)CCCC(=O)CCCC(=O)O MOL4178
-Cn1c2ccccc2c2nc3ccccc3nc21 MOL4179
-CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO MOL4180
-CC(=O)N1C(=O)C(=NNc2ccccc2[N+](=O)[O-])c2ccccc21 MOL4181
-CN1C(=O)C(=NNc2ccccc2[N+](=O)[O-])c2ccccc21 MOL4182
-COC(=O)C(CCCNC(=N)N[N+](=O)[O-])NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1 MOL4183
-S=c1ssc2ccccc12 MOL4184
-CNC1C(OC2C(OC3C(O)C(O)C(O)C(O)C3O)OC(C)C2(O)CO)OC(CO)C(O)C1O.N=C(N)N.NC(=O)O.O=S(=O)(O)O MOL4185
-CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OC(CCl)CCl MOL4186
-CONC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC MOL4187
-CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC MOL4188
-CCOC(=O)NNC(=O)NP(=O)(NC(=O)NOC)NC(=O)OCC MOL4189
-CCOC(=O)NP(=O)(NC(=O)NOC)NC(=O)NOC MOL4190
-O=C1CC(Cc2n[nH]c3c2CCCC3)CC(=O)N1 MOL4191
-O=C1CC(Cc2nn(-c3ccccc3)c3c2CCCC3)CC(=O)N1 MOL4192
-CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(O)C(C)(C)O)C(O)CC12C MOL4193
-CC(=O)O MOL4194
-CCOC(=O)C(Cc1ccccc1)P(=O)(OCC)OCC MOL4195
-O=P1(O)Cc2ccccc2-c2ccccc21 MOL4196
-CC1(C)c2ccccc2C(C)(C)[N+]1(C)C MOL4197
-CCC1(CC)c2ccccc2C(CC)(CC)[N+]1(C)C MOL4198
-Oc1ccccc1C=Nc1ccccc1S MOL4199
-CCn1c2ccccc2c2cc(N=C3C(=O)N(C)c4ccccc43)ccc21 MOL4200
-Cc1nc(C)c2c(n1)Oc1ccc3ccccc3c1C2 MOL4201
-CC(=O)OC12CC[N+]3(C)CCCCC3C1=Nc1ccccc12 MOL4202
-C#CC(OC(=O)NC1CCCCC1)(c1ccccc1)c1ccccc1 MOL4203
-Cc1ccc(S(=O)(=O)SC(=Nc2ccccn2)Nc2ccccn2)cc1 MOL4204
-C=Cc1cc[n+](CCCCC[n+]2ccc(C=C)cc2)cc1 MOL4205
-C=Cc1cc[n+](Cc2ccc(C[n+]3ccc(C=C)cc3)cc2)cc1 MOL4206
-S=C(Nc1ccccn1)Nc1ccccn1 MOL4207
-C=Cc1cc[n+](CCCCCC[n+]2ccc(C=C)cc2)cc1 MOL4208
-CCOC(=O)NNC(=O)NP(=O)(NC(=O)NNC(=O)OCC)NC(=O)NNC(=O)OCC MOL4209
-O=C(O)C=CC(=O)NCCCNC(=O)C=CC(=O)O MOL4210
-O=C(O)CCC(=O)NCCNC(=O)CC(=O)O MOL4211
-O=S(=O)(SC1=NCCN1)c1ccccc1 MOL4212
-O=C(Nc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)c1ccccn1 MOL4213
-N=C(N)Nc1ccc(C=C2C=Cc3ccccc32)cc1 MOL4214
-CN(C)c1cc2c3ccccc3ccc2c2ccccc12 MOL4215
-O=C1NC(O)CCN1C1OC(CO)C(O)C1O MOL4216
-O=C1C(O)=C(O)C(=O)C(O)=C1O MOL4217
-CN(C)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1O MOL4218
-COc1ccc(-c2cc(-c3ccccc3)nc(O)c2N(C)C)cc1 MOL4219
-CN(C)c1c(-c2ccccc2)cc(-c2ccccc2)nc1O MOL4220
-NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O MOL4221
-NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCCCC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O MOL4222
-COc1ccc(Cc2c[n+](C)cc3cc(N=O)c(OC)cc23)cc1O MOL4223
-c1ccc2c(c1)OCOc1ccccc1OCO2 MOL4224
-C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL4225
-CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1 MOL4226
-Cc1coc2c1CC1(C)C(CCC(O)C1C)C2 MOL4227
-Cc1coc2c1C(O)C1(C)C(C)CCC(O)C1(O)C2 MOL4228
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(N)Cc1ccccc1.[O-][Cl+3]([O-])([O-])O MOL4229
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)CNC(=O)OC(C)(C)C MOL4230
-O=C(O)CCC(NC(=O)c1ccccc1C(=O)O)C(=O)O MOL4231
-Cc1nn2c(C(=O)O)nnc2s1 MOL4232
-Cc1nnc2sc(C(=O)O)nn12 MOL4233
-CCOC(=O)c1nn2c(C)nnc2s1 MOL4234
-Nn1c(=S)[nH]n2cnnc12 MOL4235
-Nc1ccc2oc3cccc(N)c3c(=O)c2c1 MOL4236
-CCOP(=O)(OCC)C(N)c1ccc(OC)cc1 MOL4237
-CC1(C)Oc2ncnc(N)c2C1c1ccccc1 MOL4238
-CN1CCC2(CC1)C(C#N)C(=O)NC(=O)C2C#N MOL4239
-OCC1OC(n2cnc3c(SSc4ncnc5c4ncn5C4OC(CO)C(O)C4O)ncnc32)C(O)C1O MOL4240
-CCCCNC(=N)NC(=N)N MOL4241
-CNCCOC(c1ccccc1)c1ccccc1C MOL4242
-O=S(=O)(O)CCS MOL4243
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL4244
-COc1ccc2[nH]cc(CCNC(C)=O)c2c1 MOL4245
-C1CCC(N2OC23CCCCC3)CC1 MOL4246
-CCSc1cccc(C(=O)O)c1 MOL4247
-O=C(O)c1cccc(Sc2ccccc2)c1 MOL4248
-O=C(O)c1cccc(Nc2ccccc2C(=O)O)c1 MOL4249
-C=CN1CCCC1=O MOL4250
-Oc1cnnc2c(Cl)cccc12 MOL4251
-Oc1cnnc2c(F)cccc12 MOL4252
-Oc1cnnc2ccc(Br)cc12 MOL4253
-Sc1cnnc2ccc(Br)cc12 MOL4254
-COc1cc2nncc(Sc3cnnc4ccccc34)c2cc1OC MOL4255
-Oc1cnnc2c(Br)cccc12 MOL4256
-Sc1cc(S)c(S)nn1 MOL4257
-Oc1cnnc2cccc(Cl)c12 MOL4258
-COc1cc2nncc(Sc3cnc4ccccc4n3)c2cc1OC MOL4259
-O=c1c(Cl)c(Cl)cnn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL4260
-CCOC(=O)Nc1cc(Nc2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1 MOL4261
-Cc1cnc2c(Nc3ccc(Cl)cc3)cc(N)nc2n1 MOL4262
-CCc1ccc(C2=C(O)C(=O)C(c3ccc(CC)cc3)=C(O)C2=O)cc1 MOL4263
-O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 MOL4264
-COC(=O)C1CC23C=CCN4CC(C2C)C2(c5ccccc5NC12)C43 MOL4265
-Cc1cc(Nc2ccc(N=Nc3ccc(O)c4ncccc34)cc2)nc(C)n1 MOL4266
-Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(=O)n(C)c1=O MOL4267
-Cc1coc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)c1C MOL4268
-Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)s1 MOL4269
-Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)nc(C)n1 MOL4270
-Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(=O)n(C)c1=O MOL4271
-Cn1c(N)c(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(=O)n(C)c1=O MOL4272
-Cc1ccnc(NS(=O)(=O)c2ccc(N=Nc3c(N)n(C)c(=O)n(C)c3=O)cc2)n1 MOL4273
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1 MOL4274
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2occ(C)c2C)cc1 MOL4275
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 MOL4276
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 MOL4277
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 MOL4278
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 MOL4279
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 MOL4280
-CC(C#N)(CCC(=O)O)N=NC(C)(C#N)CCC(=O)O MOL4281
-Oc1ccc(C2=CSC3=NCCN23)cc1 MOL4282
-CC(C)C(NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)O)C(C)C)NC(=O)OCc1ccccc1)C(=O)O MOL4283
-N#CC(=C(C#N)c1ccccc1)c1ccccc1 MOL4284
-CC1([N+](=O)[O-])COP(=O)(Nc2cccc(Cl)c2)OC1 MOL4285
-Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O MOL4286
-COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C MOL4287
-O=[N+]([O-])c1ccc(N=Nc2ccc3c(c2)-c2ccccc2C3=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4288
-COc1cc2c(cc1OC)C(Cc1ccccc1NC(=O)c1ccc(C(=O)Nc3ccccc3CC3c4cc(OC)c(OC)cc4CCN3C)cc1)N(C)CC2 MOL4289
-CCCCCCC1=C(O)C(=O)C(CCCCCC)=C(O)C1=O MOL4290
-C=C1CC(OC)(C(O)C(=O)NC(OC)C2CC(O)C(C)(C)C(CC(COC)OC)O2)OC(C)C1C MOL4291
-CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1 MOL4292
-CNc1ccc(C=C2C=Cc3ccccc32)cc1Br MOL4293
-CNc1c(Br)cc(C=C2C=Cc3ccccc32)cc1Br MOL4294
-O=C1C(O)=C(Nc2ccc(Cl)cc2)C(=O)c2ccccc21 MOL4295
-Cc1ccc(S(=O)(=O)N2C(=Cc3ccccc3)C(=O)c3ccccc3-c3ccccc32)cc1 MOL4296
-BrC1CN2CC(Br)CN2C1 MOL4297
-CC1(C(N)=O)OC12CCCCC2 MOL4298
-CCOc1ccc(-n2nc(C(=O)O)cc(Cl)c2=O)cc1 MOL4299
-CN(C)CCC(O)(Cc1ccccc1)c1ccco1.O=C(O)C(=O)O MOL4300
-Cc1ccc(S(=O)(=O)N(CC(=O)O)c2c[nH]c(C(=O)O)c2)cc1 MOL4301
-CCOC(=O)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)s1 MOL4302
-CCOC(=O)c1cc(NN=C2CCCNC2=O)c[nH]1 MOL4303
-CC(=CC=C(C)C(=O)O)C(=O)O MOL4304
-Oc1ccc(C2Oc3cc(OC4OCC(O)C(O)C4O)cc(O)c3CC2O)cc1O MOL4305
-CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C1=O MOL4306
-CC(C)(C)C1CCC2(CC1)CO2 MOL4307
-O=c1cc(O)c2c(O)cc(O)cc2o1 MOL4308
-O=C(O)c1c(O)c2cc(Cl)ccc2oc1=O MOL4309
-O=C(O)c1c(O)c2cc(Br)ccc2oc1=O MOL4310
-O=C(O)c1c(O)c2cc([N+](=O)[O-])ccc2oc1=O MOL4311
-CC(=O)c1c(O)cc(O)cc1-c1cc(=O)c2c(O)ccc(C(C)=O)c2o1 MOL4312
-O=c1cc(-c2c(O)cc(O)cc2O)oc2cc(O)cc(O)c12 MOL4313
-CCC1C(=O)OC2OC(c3ccccc3)(c3ccccc3)NC21 MOL4314
-COc1ccc(C(=O)C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4315
-O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4316
-O=C1OC(=O)C2C3CC(C4N=NN(c5ccccc5)C34)C12 MOL4317
-CC1(C(=O)O)CCCC2(C)C3=CC(=O)CCC3=CCC12 MOL4318
-COC(=O)C1(C)CCCC2(C)c3cc(OC)ccc3C(=O)C(Cl)C12 MOL4319
-Cc1c(CCC(C)C)oc2cc3oc(CCC(C)C)c(C)c3cc12 MOL4320
-Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)c(N(c2cccc3ccccc23)c2cccc3ccccc23)c2c(C(C)C)c(O)c(O)c(C=O)c2c1O MOL4321
-O=c1c2ccccc2oc2ccccc12.Oc1cccc2cccnc12 MOL4322
-O=C(O)C(=O)O MOL4323
-O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)N1 MOL4324
-NC(=O)ON=Cc1ccccn1 MOL4325
-CN(C)c1ccc(CC2CCc3ccccc32)cc1 MOL4326
-NC(=O)c1cn(C2OC(CO)C(O)C2O)c2nc[n+]([O-])c(N)c12 MOL4327
-CNC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12 MOL4328
-NCCSSSSCCN MOL4329
-c1ccc2c(c1)cnn1cnnc21 MOL4330
-O=C1OCc2cc[n+]([O-])cc21 MOL4331
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1O MOL4332
-Cc1ccc(S(=O)(=O)ON2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 MOL4333
-Oc1ncnc2c1CN(c1ccccc1)C2 MOL4334
-CC1NCc2c(S)ncnc21 MOL4335
-Nc1nc(O)c2nc3c(nc2n1)C(=O)N(C1CCCCC1)C3 MOL4336
-O=S1(=O)C=C2CCCCC21 MOL4337
-O=S1(=O)CC2(N3CCCC3)CCCCC21 MOL4338
-O=S1(=O)CC2C3C=CC(O3)C21 MOL4339
-Cc1nc2[nH]c(=O)n(OS(=O)(=O)c3ccccc3)c(=O)c2s1 MOL4340
-O=c1[nH]c2ncsc2c(=O)n1OS(=O)(=O)c1ccccc1 MOL4341
-O=c1[nH]c2ncsc2c(=O)n1O MOL4342
-O=C1N=C(NO)c2ccccc21 MOL4343
-c1ccc(N2CC3CSc4c(ccc5ccccc45)C3=N2)cc1 MOL4344
-c1ccc(N2CC3CSc4ccc5ccccc5c4C3=N2)cc1 MOL4345
-O=[N+]([O-])c1cccc(C2ON2C2CCCCC2)c1 MOL4346
-Clc1ccc(C2ON2C2CCCCC2)cc1 MOL4347
-O=Nc1cc(-c2nccc3ccccc23)[nH]c1-c1ccccc1 MOL4348
-Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1C MOL4349
-c1ccc([S+](C[Hg]C[S+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 MOL4350
-Cc1ccc([PH](Cc2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL4351
-Cc1cccc([PH](Cc2ccccc2)(c2cccc(C)c2)c2cccc(C)c2)c1 MOL4352
-Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1 MOL4353
-Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1C)c1ccccc1C MOL4354
-Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1 MOL4355
-COc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccc3ccccc3c2)cc1 MOL4356
-Cc1ccc([PH](Cc2ccc([N+](=O)[O-])cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL4357
-O=[N+]([O-])c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4358
-Cc1ccc([S+](c2ccccc2)c2cc(C)ccc2C)cc1 MOL4359
-Cc1ccc([S+](c2ccccc2)c2cc(C)ccc2C)cc1.O=C(OC(C(=O)O)C(OC(=O)c1ccccc1)C(=O)O)c1ccccc1 MOL4360
-N#CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4361
-Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1 MOL4362
-Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4363
-CCOc1ccc(N=O)c(O)c1 MOL4364
-O=C1c2cc([N+](=O)[O-])ccc2-c2c(S)cccc21 MOL4365
-O=C1c2ccccc2-c2cc(S)c([N+](=O)[O-])cc21 MOL4366
-COc1cccc(-n2cccc2)c1 MOL4367
-Clc1cccc(-n2cccc2)c1 MOL4368
-Clc1cccc(-c2ccc[nH]2)c1 MOL4369
-N#Cc1ccc(-n2cccc2)cc1 MOL4370
-Clc1ccc(-n2cccc2)cc1 MOL4371
-COc1ccc(-n2cccc2)cc1 MOL4372
-CN(C)c1ccc(-n2cccc2)cc1 MOL4373
-O=[N+]([O-])c1ccc(-n2cccc2)cc1 MOL4374
-CC(CCN)(CCN)[N+](=O)[O-] MOL4375
-CCC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-] MOL4376
-Cc1ccc(S(=O)(=O)c2c(C)cc(C)cc2C)cc1 MOL4377
-Cc1ncc2c(n1)NC(c1ccc([N+](=O)[O-])cc1)NC2 MOL4378
-O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(C(C3=C(O)C(=O)c4ccccc4C3=O)C3=C(O)C(=O)c4ccccc4C3=O)cc2)C(=O)c2ccccc21 MOL4379
-Cn1cncc1CC1COC(=O)C1C(O)c1ccccc1 MOL4380
-CC(=O)C1=C(O)C2C3c4c[nH]c5cccc(c45)CC3C(C)(C)N2C1=O MOL4381
-Clc1cc2nc3[nH]c4ccccc4c3nc2cc1Cl MOL4382
-CCC1C(=O)N(C)c2ccccc21 MOL4383
-CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1 MOL4384
-O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)C(=O)c2ccccc21 MOL4385
-O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)C(=O)c2ccccc21 MOL4386
-O=C1C(O)=C(C(C2=C(O)C(=O)c3ccccc3C2=O)c2ccc(Cl)c(Cl)c2)C(=O)c2ccccc21 MOL4387
-CC(=O)Nc1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1 MOL4388
-COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc(OC)c1OC MOL4389
-CCOc1ccc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc1OC MOL4390
-CCC(C)C(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O MOL4391
-CC1=CC(=O)Nc2ccccc2S1 MOL4392
-CC(C)C1CC=CCC12C(=O)NC(=O)NC2=O MOL4393
-CC1CCC2C(C)C3C(CC4C5CC=C6CC(O)CCC6(C)C5CCC43COC(=O)c3ccccc3)N2C1 MOL4394
-COC(=CC(=O)c1ccccc1)C(=O)c1ccccc1 MOL4395
-O=C1C=C(c2ccccc2)OC1(Cl)c1ccccc1 MOL4396
-CCOP(=O)(OCC)C(C)=NO MOL4397
-CCOP(=O)(OCC)C(N)C(C)C MOL4398
-CCOP(=O)(OCC)C(N)C(C)CC MOL4399
-CCOC(=O)NNC(=S)NP(=O)(NC(=S)NNC(=O)OCC)NC(=S)NNC(=O)OCC MOL4400
-CSc1c(C(N)=O)c2c(N)ncnc2n1C1OC(CO)C(O)C1O MOL4401
-O=C1OC2(O)c3ccccc3C(=O)N2N2CCCC12 MOL4402
-O=C1OC2(O)c3ccccc3C(=O)N2N2CCCCC12 MOL4403
-CCN(CC)CN1C(=O)C(=O)c2ccccc21 MOL4404
-N#CC(=C(Cc1ccc(F)cc1)NP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 MOL4405
-O=P(c1ccccc1)(c1ccccc1)N1N=NNC1=Cc1ccccc1 MOL4406
-Cc1ccc2c(c1)S(=O)(=O)N(C)C(c1ccccc1)=C2 MOL4407
-Cc1ccc2c(c1)[Sn](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2C MOL4408
-CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC MOL4409
-COc1cc2c(cc1OC)C[N+]1(C)CCc3cc(OC)c(OC)cc3C1C2 MOL4410
-O=C1OC2C(O)C3CC1C2O3 MOL4411
-COC(=O)c1cc(C(=O)O)c(=O)n2ccccc12 MOL4412
-CC(O)(c1ccccc1)c1ccc2ccccc2n1 MOL4413
-CN(C)c1ccc(C=C2C=Cc3ccccc32)cc1F MOL4414
-CNc1ccc(C=C2C=Cc3ccccc32)cc1I MOL4415
-CNc1c(Cl)cc(C=C2C=Cc3ccccc32)cc1Cl MOL4416
-COC(=O)CC1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O MOL4417
-CC=Cc1cc2c(c(=O)o1)C(=O)C(O)C(C)O2 MOL4418
-NC(Cc1ccc(O)c(O)c1)C(=O)O MOL4419
-NC1=C(O)C(=O)c2ccccc2C1=O MOL4420
-O=C1C(O)=C(c2ccc(Br)cc2)C(=O)C(O)=C1c1ccc(Br)cc1 MOL4421
-O=C(CNC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCC(=O)NC(CO)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 MOL4422
-COC(=O)C(N=O)C(=O)OC MOL4423
-COC(=O)C1C23CC(=O)CC1(c1ccc4c(c1)OCO4)C2NC3=O MOL4424
-CC(=O)Oc1cccc2c1C(=O)C1CC(O)C(O)C3OC(C)(C)OC2(C)C13 MOL4425
-CN(C)C1C(O)=C(C(=O)NCN2CCN(C(=N)NC(=N)N)CC2)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL4426
-CNc1nc(N(C)C)nc(N(C)C)n1 MOL4427
-N=c1c2ccccc2nnn1-c1ccccc1[N+](=O)[O-] MOL4428
-N=c1nc2c3ccccc3nnn2c(=N)[nH]1 MOL4429
-COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1 MOL4430
-CC(O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4431
-CC(=O)OC(C)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4432
-Cc1cc(=O)oc2cc(O)cc(OCc3ccccc3)c12 MOL4433
-COC1=CC2OC3OC(=O)CC3C2C(OCc2ccccc2)=C1 MOL4434
-O=C1CC2c3c(OCc4ccccc4)cccc3OC2O1 MOL4435
-COc1cc(OC)c2c(c1)OC1OC(=O)CC21 MOL4436
-NC1CSSCC(C(=O)O)NC1=O MOL4437
-CCOC(=O)C1CSSCC(N)C(=O)N1 MOL4438
-C=Cc1ccccn1 MOL4439
-CC(=O)OC1CCC2C3CCC4(C)C(=O)CCC4C3C3OC23C1 MOL4440
-CC(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)OC(C)=O)C4NC(=O)CC32)C1 MOL4441
-Nc1ccc(-c2cc3ccccc3[nH]2)cc1 MOL4442
-O=C1OC2=C(c3ccccc3)C(=O)OC2=C1c1ccccc1 MOL4443
-O=C1c2ccccc2C(=O)c2c(SSc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 MOL4444
-CC1=Nc2ccccc2C12C(c1ccccc1)CC(=O)N1c3ccccc3CC12 MOL4445
-CC1(CC(=O)O)OC2CCCCCC2O1.NCc1ccccc1 MOL4446
-O=C(CC(c1ccccc1)C1C(=O)C12CCCC2)c1ccccc1 MOL4447
-C1=Cc2ccccc2C1=Cc1cc2c3c(c1)CCCN3CCC2 MOL4448
-CN1C(=O)c2ccccc2C1(N)c1ccccc1 MOL4449
-CCOC(=O)NC1=NCCS1 MOL4450
-CCOC(=O)NC1=NCC(C)S1 MOL4451
-CCOC(=O)NC1=NCC(C)(C)S1 MOL4452
-Oc1csc2n(-c3ccccc3)c3ccccc3[n+]12 MOL4453
-CC1=Nc2cc(C)c(C)cc2NC(=O)C1 MOL4454
-CCOC(=O)C(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O MOL4455
-Cn1c(=O)[nH]c2c(c1=O)CCCS2 MOL4456
-CC1=NNC(=O)C12CC2 MOL4457
-O=C1N(c2ccccc2)N=C(c2ccccc2)C12CC2 MOL4458
-O=c1c(CCO)c(C2CC2)n2n1CCCC2 MOL4459
-Cc1c(CCO)c(=O)n2n1CCCC2 MOL4460
-CC(C)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL4461
-COC(=O)C1C2CC(=NO)C1C2 MOL4462
-O=C1CC2C(=O)C1C(C(=O)O)C2C(=O)O MOL4463
-O=C(CBr)OCCCS(=O)(=O)O MOL4464
-Cc1ccc(S(=O)(=O)NC(=O)NCCSSCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 MOL4465
-CCCCC1C(=O)N2c3ccccc3-c3ccccc3N2C1=O MOL4466
-CCOC(=O)C(=O)N(CC(=O)OC)C(=O)Cc1ccccc1 MOL4467
-O=C(S)C(=O)Cc1nnn(-c2ccccc2)c1-c1ccccc1 MOL4468
-O=P(c1ccccc1)(c1ccccc1)N1N=NNC1=Cc1ccc(Cl)cc1 MOL4469
-COc1ccc2c(c1)CCN1C2CCN2C(=O)CCC21 MOL4470
-Cc1cc(C(=O)O)c(C)cc1SSc1cc(C)c(C(=O)O)cc1C MOL4471
-S=C1NN=CNNC=NN1 MOL4472
-Cc1ccc(C2=C(O)C(=O)C(c3ccc(C)cc3)=C(O)C2=O)cc1 MOL4473
-C[N+]12CCC34c5ccccc5NC3C3C(CC(=O)O)OCC=C(C1)C3CC42 MOL4474
-COc1cc2c(cc1OC)C13CC[N+]4(C)CC5=CCOC6CC(=O)N2C1C6C5CC34O MOL4475
-COc1ccc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc1 MOL4476
-O=C(O)CC1OCC=C2CN3CCC45c6ccccc6NC4C1C2CC35 MOL4477
-O=C(O)CC1OCC=C2CN3CCC45c6ccccc6NC4C1C2CC35 MOL4478
-Nc1nc(SSc2nc(N)nc3c2ncn3C2CC(O)C(CO)O2)c2ncn(C3CC(O)C(CO)O3)c2n1 MOL4479
-Cc1cc(C)c(C2=[N+]([O-])ON3CCc4ccccc4C23)c(C)c1 MOL4480
-S=C(NN=C1C(NNC(=S)NC23CC4CC(CC(C4)C2)C3)=Nc2ccccc21)NC12CC3CC(CC(C3)C1)C2 MOL4481
-N=C(N)NCCCC(N)C(=O)O.NC(CCC(=O)O)C(=O)O MOL4482
-CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)O MOL4483
-CC1OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)NC1=O MOL4484
-COC(=O)C(NC(=O)C(C)NC(=O)C1CCCN1C(=O)CNC(=O)C(CO)NC(=O)C(NC(=O)OCc1ccccc1)C(C)O)C(C)O MOL4485
-O=C(O)C=CS(=O)(=O)O MOL4486
-C=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4487
-CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4488
-CC(C)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4489
-c1ccc(CN2CCc3[nH]c4ccccc4c3C2)cc1 MOL4490
-CSc1ccc(C=C2C=Cc3ccccc32)cc1 MOL4491
-O=C1c2ccccc2C(=O)N1CSS(=O)(=O)O.c1ccncc1 MOL4492
-N=C1SC2CCCCCCC2S1 MOL4493
-N=C(N)SCN1C(=O)c2ccccc2C1=O MOL4494
-c1ccc(N2N=NC3CCCC32)cc1 MOL4495
-CCOC(OCC)C(C)=N[N+](C)(C)C MOL4496
-O=S(=O)(O)OC1CCCCC1Nc1ccccc1 MOL4497
-CC12C(C(=O)O)C1(c1ccccc1)C2C(=O)O MOL4498
-O=CN(CCNc1ccccc1)c1ccccc1 MOL4499
-c1ccc(CSCSCc2ccccc2)cc1 MOL4500
-CC(SSC(C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O MOL4501
-CC1CCCC2=C1C(=O)N(CSCN1C(=O)C3=C(C1=O)C(C)CCC3)C2=O MOL4502
-O=C(c1ccccc1)C1N(c2ccccc2)CCN1c1ccccc1 MOL4503
-O=C(CBr)OCS(=O)(=O)O MOL4504
-C1Cc2nnnn2C1 MOL4505
-CS(=O)(=O)OCCNCC(O)C(O)CNCCOS(C)(=O)=O MOL4506
-CCCCc1ccc(C2=C(O)C(=O)C(c3ccc(CCCC)cc3)=C(O)C2=O)cc1 MOL4507
-Nc1c(Cl)cc(C=C2C=Cc3ccccc32)cc1Cl MOL4508
-COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)cc1O MOL4509
-COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O MOL4510
-COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O MOL4511
-CC(C)C1=C(O)C(=O)C2=C(C1=O)C(O)CC1C(C)(C)CCCC21C MOL4512
-CC(C)C1=CC2=CC(=O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O MOL4513
-CC(C)C1=CC2=CC(O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O MOL4514
-O=C1NC(=O)C(=C2CCCCC2)N1 MOL4515
-O=C1NC(=O)C(Cc2ccccc2Cl)N1 MOL4516
-COC(=O)N1C2C3CC4C2C4C3N1C(=O)OC MOL4517
-COc1cc(C=C2SC(=S)NC2=O)cc(OC)c1O MOL4518
-Clc1ccc(CNNCc2cccc(Cl)c2)cc1 MOL4519
-CC(=O)OC1CCC23COC(CC(C)C2C)C3(Cl)C1 MOL4520
-CC(=O)OC1CCC2(C)C(C)C(C)CCC2(O)C1O MOL4521
-COc1ccc(CNNCc2ccc(OC)cc2)cc1 MOL4522
-Cc1ccc(S(=O)(=O)OC2C3CCC4C(COC42)C3)cc1 MOL4523
-Cc1ccc(S(=O)(=O)OC2C3CCC4C(COC42)C3)cc1 MOL4524
-Clc1ccc(NN(c2ccccc2)c2ccc(Cl)cc2)cc1 MOL4525
-COc1cccc(C=C2N=C(c3ccccc3)OC2=O)c1OC MOL4526
-O=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL4527
-COc1ccc(C2SC(=S)N(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1 MOL4528
-COc1ccc(C2SC(=S)N(Cc3ccc(Cl)cc3)N2Cc2ccc(Cl)cc2)cc1 MOL4529
-COc1ccc(CN2C(=S)SC(c3ccc(Cl)cc3)N2c2ccc(OC)cc2)cc1 MOL4530
-CC1(Cl)C2c3ccccc3C(c3ccccc32)C1(C)Cl MOL4531
-CC1(Br)C2c3ccccc3C(c3ccccc32)C1(C)C(Cl)(Cl)Cl MOL4532
-COC1c2ccccc2C2C(Cl)(Cl)C23c2ccccc2C13 MOL4533
-CC(=O)OC1(C)C2c3ccccc3C(c3ccccc32)C1(C)C MOL4534
-CC(=O)OC1c2ccccc2C2c3ccccc3C1C2(C)C(Cl)(Cl)Cl MOL4535
-COc1ccc(C=C2SC(=S)NC2=O)c(OC)c1OC MOL4536
-CCCCSC1=NCCCS1 MOL4537
-CCSC1=[N+](SCC)CCCS1 MOL4538
-O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL4539
-CC(C)(C)SS(=O)C(C)(C)C MOL4540
-C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(C=C)c4n1[Fe-3]31(Cl)n3c(c(C)c(CCC(=O)O)c3=CC3=[N+]1C(=C4)C(C)=C3CCC(=O)O)=C2 MOL4541
-COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O MOL4542
-O=C1CCC2CCC(=O)N12 MOL4543
-CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O MOL4544
-CC(C)(C)NP(=O)(NC(C)(C)C)NC(C)(C)C MOL4545
-O=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1 MOL4546
-COc1cc(C2c3cc4c(cc3C(OC3OC5COC(c6cccs6)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O MOL4547
-O=[N+]([O-])C=Cc1c(Cl)cccc1Cl MOL4548
-NNC(=O)C1CC2c3ccccc3C1c1ccccc12 MOL4549
-NNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)O MOL4550
-COC(=O)C1CC2c3ccccc3C1c1ccccc12 MOL4551
-NNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NN MOL4552
-COc1ccc(-c2oc(=O)c3ccccc3c2-c2ccccc2)cc1 MOL4553
-CCOC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)OCC MOL4554
-CC(=O)C1(C)CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C MOL4555
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1 MOL4556
-CCCCCCCCCCCCC(=O)NC1=C(O)C(=O)c2ccccc2C1=O MOL4557
-CCCCCCCCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O MOL4558
-O=C(OC(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 MOL4559
-COC(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)c1ccccc1)c1ccccc1 MOL4560
-CC(Br)(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4561
-C=C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4562
-c1ccc(NNCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4563
-CCOC(=O)C(NNc1ccccc1)C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4564
-O=C1OC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1Cl MOL4565
-CC(=O)OC1CCC2(CO)C(CCC3C4CCC(=O)C4(C)CCC32)C1 MOL4566
-O=C1CC(CC(O)C2CCCC2O)CC(=O)N1 MOL4567
-O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1 MOL4568
-CC1CCCC(C(=O)CC2CC(=O)NC(=O)C2)C1=O MOL4569
-CCOC(=O)c1nnc2sc(-c3ccccc3)nn12 MOL4570
-COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1OC MOL4571
-COc1ccc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc1OC MOL4572
-COc1cc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc(OC)c1OC MOL4573
-CC1C(=O)c2cc3c(cc2CCN(C)Cc2c1ccc1c2OCO1)OCO3 MOL4574
-COc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1 MOL4575
-COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC MOL4576
-COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1 MOL4577
-CC=C1CN2CCC34c5ccccc5N5C(=O)CCC(C1CC23)C54 MOL4578
-COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 MOL4579
-CN1C(=O)C2(Nc3ccccc3N2)c2ccccc21 MOL4580
-COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1O MOL4581
-OCC12C3C4C5C3C1C5C42 MOL4582
-CC(=O)N1C(=O)C2(NCCCN2)c2ccccc21 MOL4583
-COC(=O)CC(O)(CCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4 MOL4584
-O=[N+]([O-])c1ncn(C2OC(CO)C(O)C2O)c1S MOL4585
-O=C(O)CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 MOL4586
-C=C(C)C(=O)OC1CC23OC2CCC(=CC2OC(=O)C(=C)C21)COC3O MOL4587
-O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1 MOL4588
-CSc1ccc(C=Cc2ccnc3ccccc23)cc1 MOL4589
-Nc1c(Br)cc(C=C2C=Cc3ccccc32)cc1Br MOL4590
-CN(C)N=Nc1ccc(C=C2C=Cc3ccccc32)cc1 MOL4591
-COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(C(=O)OC)C4CCC3(C)C1(CO)CC2 MOL4592
-CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(CO)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)OC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1 MOL4593
-CC1(C(=O)O)OC12CCCCC2 MOL4594
-CCOC(=O)C1(C)CC12CCCCC2 MOL4595
-CCCCCCCCCCCCCCCCSS(C)(=O)=O MOL4596
-CS(=O)(=O)SCCCS(=O)(=O)O MOL4597
-CS(=O)(=O)SCc1ccc([N+](=O)[O-])cc1 MOL4598
-CCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1 MOL4599
-CCCCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1 MOL4600
-CCCCCCCCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1 MOL4601
-CCCCCCCCCCCCCCCCSS(=O)(=O)CCCCCCCC MOL4602
-CCCCCCCCCCCCSS(=O)(=O)c1ccccc1 MOL4603
-Cc1ccc(S(=O)(=O)SCc2ccccc2)cc1 MOL4604
-CC1=NOC(=O)C12CC2 MOL4605
-CCOC(=O)C1=C(N)SCCC1 MOL4606
-N=c1[nH][nH]c2nc3n(c(=O)c12)CCCCC3 MOL4607
-CC1Cc2c(nc3n(c2=O)CCCCC3)O1 MOL4608
-Oc1cccc2ccc(SSc3ccc4cccc(O)c4n3)nc12 MOL4609
-NC1=CNC(=O)C1 MOL4610
-O=C(NO)Nc1ccc(Cl)c(Cl)c1 MOL4611
-O=C(NO)Nc1ccc(Cl)cc1 MOL4612
-N#CNC(=N)NC1=CC(=O)C(=O)c2ccccc21 MOL4613
-N=C1NNC(=O)C1N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 MOL4614
-CC=CC(C1=C(O)C(=O)c2ccccc2C1=O)C1=C(O)C(=O)c2ccccc2C1=O MOL4615
-COc1cc(C(C2=C(O)C(=O)c3ccccc3C2=O)C2=C(O)C(=O)c3ccccc3C2=O)cc(Br)c1O MOL4616
-O=C1C(O)=C(C(C=Cc2ccccc2)C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 MOL4617
-O=C1C(O)=C(C(CCc2ccccc2)C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 MOL4618
-CC12CC(OC1=O)C(=O)c1ccccc12 MOL4619
-Cc1nc(N)nc(N)c1CCCCc1ccccc1 MOL4620
-Cc1ccc(S(=O)(=O)SCCN)cc1 MOL4621
-CC=CCC1(C(C)C)C(=O)NC(=S)NC1=O MOL4622
-O=c1[nH]c(=O)n(C2C=CC(CO)O2)cc1F MOL4623
-CC1OC(n2cnc3c(O)ncnc32)C(O)C(O)C1O MOL4624
-O=C(O)Cc1ccccc1 MOL4625
-O=c1sc2ccccc2n1CCSSCCn1c(=O)sc2ccccc21 MOL4626
-S=c1sc2ccccc2n1CCSSCCn1c(=S)sc2ccccc21 MOL4627
-CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C MOL4628
-CS(=O)(=O)Sc1ccccc1C(=O)O MOL4629
-Cc1ccc(SS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL4630
-Cc1ccc2nnn3c(=N)[nH]c(=N)nc3c2c1 MOL4631
-C1CCC(CC[N+]23CC[N+](CCC4CCCC4)(CC2)C3)C1 MOL4632
-COC(=S)NP(=O)(NC(=S)OC)NC(=S)OC MOL4633
-CCOC(=S)NP(=O)(NC(=S)OCC)NC(=S)OCC MOL4634
-NC(=S)NP(=O)(NC(N)=S)NC(N)=S MOL4635
-CC(=O)Nc1ccccc1C(C#N)=Cc1ccccc1 MOL4636
-N#CC(=Cc1ccccc1)c1ccccc1[N+](=O)[O-] MOL4637
-COc1ccc(C=C(C#N)c2ccccc2[N+](=O)[O-])cc1 MOL4638
-COc1ccc([N+](=O)[O-])c(C(C#N)=Cc2ccccc2)c1 MOL4639
-N#CC(=Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] MOL4640
-C=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4641
-CC1(C)OC2OC(CO)C(N)C2O1 MOL4642
-c1ccc([PH](Cc2cccc(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)c2)(c2ccccc2)c2ccccc2)cc1 MOL4643
-O=S(=O)(O)CC(O)CSSCC(O)CS(=O)(=O)O MOL4644
-O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL4645
-CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1 MOL4646
-COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1OC MOL4647
-O=C1C(O)=C(CC=C(Cl)Cl)C(=O)c2ccccc21 MOL4648
-CC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4649
-Cc1ccc(C)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL4650
-O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 MOL4651
-Cc1nccc2c(C)c3sc4ccccc4c3cc12 MOL4652
-CC1=C(C#N)C2(C(=O)Nc3ccccc32)C(C#N)=C(C)N1 MOL4653
-CC1=C(C#N)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(C)N1 MOL4654
-CC1=C(C#N)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(C)N1c1ccccc1 MOL4655
-c1ccc2c(c1)ncn1nnnc21 MOL4656
-O=C(O)C=CCCC1SCC2NC(=O)NC21 MOL4657
-CC1OC(OCC2OC(Oc3ccc4c(=O)c(-c5ccc6c(c5)OCO6)coc4c3)C(O)C(O)C2O)C(O)C(O)C1O MOL4658
-CCC1CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13 MOL4659
-O=C1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1 MOL4660
-C[N+]12C(=O)CC3OCC=C4C[N+]5(C)CCC6(c7ccccc71)C2C3C4CC65O MOL4661
-O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1 MOL4662
-COc1cc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc(OC)c1OC MOL4663
-CC1CCC2N(C1)CC1C3(O)CC45OC6(O)C(O)CCC4(C)C6CCC5C3(O)CC(O)C1(O)C2(C)O MOL4664
-COc1cc(-c2cc(=O)c3ccc(O)cc3o2)cc(OC)c1OC MOL4665
-O=C1c2c(O)ccc(Nc3ccc(N=Nc4ccccc4)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 MOL4666
-CC1CCCC(C(O)CC2CC(=O)NC(=O)C2)C1O MOL4667
-CC1CCC(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C1 MOL4668
-CC1CCC(O)C(C(O)CC2CC(=O)NC(=O)C2)C1 MOL4669
-CC1CCCc2c(CC3CC(=O)NC(=O)C3)nc(N)nc21 MOL4670
-CC1CCc2c(c(CC3CC(=O)NC(=O)C3)nn2-c2ccccc2)C1 MOL4671
-CC1CCc2[nH]nc(CC3CC(=O)NC(=O)C3)c2C1 MOL4672
-CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1.CCS(=O)(=O)O MOL4673
-N=c1[nH]c(=N)n2c(=N)[nH]c(=N)n12 MOL4674
-O=C1OC(=O)c2cnccc21 MOL4675
-C=CCC(C=CCC)(C(=O)O)C(=O)O MOL4676
-C=CCC(C(=N)C(C#N)(CC=C)C1=CCCCC1)C1=CCCCC1 MOL4677
-OC1=c2ccccc2=C1O MOL4678
-O=C(OC1=C(OC(=O)c2ccc(N=Nc3ccccc3)cc2)c2ccccc21)c1ccc(N=Nc2ccccc2)cc1 MOL4679
-CCC=C(C)C(CCC)(CN=O)C(=O)OCC MOL4680
-O=c1cc(-c2ccccc2)oc2c(O)c(O)cc(O)c12 MOL4681
-COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC MOL4682
-O=C1c2c(C=Cc3ccc(Cl)c(Cl)c3)nc3ccccc3c2C(=O)N1CCN1CCCCC1 MOL4683
-CC(C)CCCC(C)C1CCC2C3CC([N+](=O)[O-])=C4CC(O)CCC4(C)C3CCC12C MOL4684
-CCCCOC(=O)c1ccc(N)cc1 MOL4685
-COC1=CC23CCCN2CCc2cc4c(cc2C3C1O)OCO4 MOL4686
-N=c1ccn2c(n1)OC1C(OP(=O)(O)O)C(CO)OC12 MOL4687
-CC1NC(=O)C2=C1C(=O)NC(=O)C2 MOL4688
-CCOC(=O)CN(c1sc(C)c(CC)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 MOL4689
-CCOC(=O)C(=C(C)N)C1CC(=O)NC1=O MOL4690
-CCOC(=O)CN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 MOL4691
-CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1 MOL4692
-CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1C MOL4693
-CCOC(=O)CN(c1sc(C)c(C)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 MOL4694
-CCOC(=O)c1cc2c(=O)cccnc2o1 MOL4695
-CC1=C(C)C2(C#N)CC(=O)N=C2O1 MOL4696
-CCOc1cc(NCCCN)c2nc(OCc3ccccc3)ccc2c1 MOL4697
-CCOC(=O)CN(c1scc(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 MOL4698
-Nc1ccccc1C1=Nc2cncnc2NC1 MOL4699
-c1ccc2c(c1)nnn1c3cnccc3nc21 MOL4700
-c1ccc2c(c1)nnn1c3ncccc3nc21 MOL4701
-Nc1ccccc1-c1nc2ccncc2[nH]1 MOL4702
-O=C1C=CC(=O)c2nc3c(nc21)[nH]c1ccccc13 MOL4703
-O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc2c1 MOL4704
-Cc1cc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2cc1C MOL4705
-Nc1ccc(F)cc1-c1nc2ccc(F)cc2c2nc3ccccc3n12 MOL4706
-Brc1cccc(-c2nc3ccccc3[nH]2)c1 MOL4707
-Cc1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 MOL4708
-Cc1cc2nc(-c3ccccc3Cl)[nH]c2cc1C MOL4709
-Clc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 MOL4710
-Cc1ccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2c1 MOL4711
-Cc1ccc2c(c1)nc1c3ccccc3nc(-c3ccccc3N)n21 MOL4712
-O=[N+]([O-])c1cccc(-c2nc3ccccc3[nH]2)c1 MOL4713
-COc1ccc(OC)c2[nH]c(CCc3nc4c(OC)ccc(OC)c4[nH]3)nc12 MOL4714
-Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 MOL4715
-Cc1nc2cc(Cl)cc(N)c2nc1C MOL4716
-FC(F)(F)c1cc(Cl)c2ccc3ccccc3c2n1 MOL4717
-c1ccc(-c2nc3nc4ccccc4nc3nc2-c2ccccn2)nc1 MOL4718
-Clc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1 MOL4719
-c1ccc(-c2nc3nc4ccccc4nc3nc2-c2cccnc2)nc1 MOL4720
-COc1ccc2nc3nc(-c4ccccc4)c(-c4ccccc4)nc3nc2c1 MOL4721
-Cc1ccc2nc3nc(C)c(C)nc3nc2c1 MOL4722
-Cc1ccc2ccc3c(O)cc(C)nc3c2n1 MOL4723
-Oc1cc(C(F)(F)F)nc2c3ncccc3c3nc4ccccc4nc3c12 MOL4724
-Cn1c(=O)c(=O)n(C)c2nc3ccccc3nc21 MOL4725
-CN1CCN(C)c2nc3ccccc3nc21 MOL4726
-c1ccc2c(c1)ccc1c2nc2c3ccccc3[nH]n12 MOL4727
-Cc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 MOL4728
-Nc1ccccc1-c1nc2c(ccc3ccccc32)[nH]1 MOL4729
-Cc1ccc2c(c1)nc1c3ccccc3[nH]n21 MOL4730
-Cc1ccc2c(c1)nc1c3ccccc3nnn21 MOL4731
-CCOC(=O)C1C(c2ccc(OC)cc2)C(C(=O)OCC)C(O)(C(F)(F)F)OC1(O)C(F)(F)F MOL4732
-CCOC(=O)C1C(c2ccc(F)cc2)C(C(=O)OCC)C(O)(C(F)(F)F)OC1(O)C(F)(F)F MOL4733
-CCOC(=O)C1C(c2ccccc2)C(C(=O)OCC)C(O)(C(F)(F)F)OC1(O)C(F)(F)F MOL4734
-COc1cc2nc3c(nc2cc1OC)-c1ccccc1C3=O MOL4735
-O=C1C=CC(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21 MOL4736
-CCc1nc2c(O)ccc(O)c2nc1C MOL4737
-CCCc1nc2c(nc1C)C(=O)C=CC2=O MOL4738
-CCCCCCCCCCCCN1C=C(C(N)=O)C(S(=O)(=O)O)c2ccccc21 MOL4739
-NC(=O)c1cc2ccccc2[n+](Cc2ccc(F)cc2)c1 MOL4740
-CCCC[n+]1cc(C(N)=O)cc2ccccc21 MOL4741
-NC(=O)C1=CN(Cc2ccc(F)cc2)c2ccccc2C1S(=O)(=O)O MOL4742
-O=C(O)c1cnc2c(ccc3ncc(C(=O)O)c(O)c32)c1O MOL4743
-O=C1C(O)=C(Sc2ccc(Cl)cc2)C(=O)c2ccccc21 MOL4744
-CCCCCCCNC1=C(O)C(=O)c2ccccc2C1=O MOL4745
-COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2 MOL4746
-COC(=O)C1(C)CCCC2(C)C3CC(CO)C(C(C)C)CC3CCC12 MOL4747
-CC(=O)O.N=c1ccn2c(n1)OC1C(O)C(CO)OC12 MOL4748
-CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 MOL4749
-CN1CCCC1CCNc1nc(C(Cl)(Cl)Cl)nc2cc(Cl)ccc12 MOL4750
-CCC1=C(CC2NCCc3cc(OC)c(OC)cc32)CC2c3cc(OC)c(OC)cc3CCN2C1 MOL4751
-COc1ccc(Cl)c([Bi](c2cc(OC)ccc2Cl)c2cc(OC)ccc2Cl)c1 MOL4752
-O=C(O)C1CSC2c3ccccc3C(=O)N12 MOL4753
-CC1(C)SC2c3ccccc3C(=O)N2C1C(=O)O MOL4754
-O=P1(O)c2ccccc2CSCc2ccccc21 MOL4755
-O=C1CCC2(CC(Br)C(=O)c3ccccc32)C(=O)N1 MOL4756
-COC1Nc2nc3ccccc3nc2NC1OC MOL4757
-CC(C)=C1C2CCC1C1CSCC21 MOL4758
-O=C1C=C(c2ccccc2)C(c2ccccc2)C1O MOL4759
-c1ccc(C(=C2C3CCC2C2CSCC32)c2ccccc2)cc1 MOL4760
-O=C(c1ccccc1)C1(C(=O)c2ccccc2)C(=NO)C2CCC1C2 MOL4761
-C[S+]1CC2C3CC(C#N)C(C3)C2C1 MOL4762
-O=S1(=O)CC2C3CC(Oc4ccccc4)C(C3)C2C1 MOL4763
-CC12CCC(C1)C(O)(c1ccccc1)C2(O)c1ccccc1 MOL4764
-CC1(C)C2CCC1(C)C(O)(c1ccccc1)C2=O MOL4765
-CC1(C)OC2C3CCC(C)(C3)C2(c2ccccc2)O1 MOL4766
-c1ccc(C2=NNc3cccc[n+]3C2)cc1 MOL4767
-O=C(C[n+]1ccccc1Br)c1ccc2ccccc2c1 MOL4768
-Cc1cc2c(c(O)n1)C(=O)NC2=O MOL4769
-CC(CN1CCN(CC(C)Nc2ccnc3cc(Cl)ccc23)CC1)Nc1ccnc2cc(Cl)ccc12 MOL4770
-CCOC(=O)C(CC(C)C)NC(=O)c1cc(SC#N)c(C)c2c1Nc1c(c(C)c3oc(=O)c(C)nc3c1C(=O)NC(CC(C)C)C(=O)OCC)O2 MOL4771
-CC(C)COCSCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C MOL4772
-CC(C)(C)OC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(CSC(c1ccccc1)c1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1 MOL4773
-Oc1ccnc2c1ccc1nccc(O)c12 MOL4774
-CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 MOL4775
-Cn1cnc(N)c1S(N)(=O)=O MOL4776
-Cn1cnc(N)c1S(=O)(=O)Nc1ccccc1Cl MOL4777
-Cc1ccccc1NS(=O)(=O)c1c(N)ncn1C MOL4778
-CCC1=NS(=O)(O)=c2c(ncn2C)=N1 MOL4779
-CN(C)S(=O)(=O)c1c(N)ncn1C MOL4780
-CNS(=O)(=O)c1c(N)ncn1C MOL4781
-CNS(=O)(=O)c1c(NC=O)ncn1C MOL4782
-CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1 MOL4783
-CCC(=C(C#N)c1ccc(OC)cc1)c1ccc(N(C)C)cc1 MOL4784
-COc1ccc(C(C#N)=Cc2ccccc2OC)cc1 MOL4785
-COc1ccc(C(C#N)=Cc2cccc(OC)c2OC)cc1 MOL4786
-COc1ccc(C=C(C#N)c2ccc(OC)c(OC)c2)cc1 MOL4787
-COc1ccc(C(C#N)=Cc2ccccc2)cc1 MOL4788
-O=[N+]([O-])c1cc[n+]([O-])cc1 MOL4789
-C=C(CN(C)C)c1ccccn1 MOL4790
-CN1CCC2CCCCN2CC1=O MOL4791
-CN(C)CC(CN(C)C)c1cccc(C(CN(C)C)CN(C)C)n1 MOL4792
-CN(C)S(=O)(=O)C(c1ccccc1)C1(O)CCCCC1 MOL4793
-O=C1NN=C2CCCCCCC12Cl MOL4794
-O=C1NN=C2CCCCCCC12 MOL4795
-O=C1NN=C2CCCCCC12 MOL4796
-CCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O MOL4797
-CCOC(=O)c1ccc(N2CN3c4ccccc4CCC3C2c2cnc(O)nc2O)cc1 MOL4798
-COc1nn(C)c(=O)c2cccnc12 MOL4799
-CN(C)N=Nc1c[nH]nc1C(N)=O MOL4800
-CCOC(=O)C(C)(C)C(OP(=O)(CC)OCC)=C(C)C MOL4801
-CCOC(=O)C(C)(C)C(OP(OCC)OCC)=C(C)C MOL4802
-COC(=O)C(C)(C)C(OP1(=S)N(C)CCN1C)=C(C)C MOL4803
-COC(=O)C(C)(C)C(OP(=S)(N(C)C)N(C)C)=C(C)C MOL4804
-COC(=O)C(C)(C)C(=O)C(C)(C)P(C)(=O)OC MOL4805
-COC(=O)C(C)(C)C(OP1(=S)OCCN1C)=C(C)C MOL4806
-COC(=O)C(C)(C)C(OP(=O)(OC)OC)=C(C)C MOL4807
-CCCOC(=O)C(C)(C)C(OP(OCCC)OCCC)=C(C)C MOL4808
-O=C(CCCc1ccccc1)NO MOL4809
-CC(C)(C)c1ccc(Br)c(CCC(=O)NO)c1 MOL4810
-CC1(C)C2CCC1(C)C(Cl)([N+](=O)[O-])C2 MOL4811
-CC(C)(CN(Cc1ccccc1)Cc1ccccc1)[N+](=O)[O-] MOL4812
-CC(=O)NC(C)(C)C MOL4813
-O=NC(=C(c1ccccc1)N1CCOCC1)c1ccccc1 MOL4814
-Oc1nc(N2CCOCC2)nc2cc3ccccc3cc12 MOL4815
-COc1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 MOL4816
-CCCCn1cnc2ccc3[nH]c(C)nc3c2c1=O MOL4817
-Cc1ccc2c(c1)C(c1ccccc1)C1COC(=O)C1O2 MOL4818
-N#CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4819
-CCOC(=O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4820
-COC(=O)c1cn2ccc3ccccc3c2c1C(=O)OC MOL4821
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2c1[nH]c1ccc(O)cc21 MOL4822
-NC1C2C(CC(=O)O)OCC=C3CN4CCC1(C(=O)C(=O)O)C4CC32 MOL4823
-O=C1CC2OCC=C3CN4CCC5(C(=O)O)C(N1)C2C3CC45 MOL4824
-O=C1C=C(O)C(=NO)c2ccccc21 MOL4825
-COc1cc2c(cc1Oc1c(O)c(OC)cc3c1C(C)N(C)CC3)C(C)N(C)CC2 MOL4826
-COc1cc2c(cc1O)CN1Cc3c(ccc(OC)c3O)C2C1 MOL4827
-Cc1cccc2nc3nc(Cl)c(Cl)nc3n12 MOL4828
-Cc1ccc(S(=O)(=O)NC(=S)S)cc1 MOL4829
-COc1ccc(S(C)=NS(=O)(=O)c2ccc(C)cc2)cc1 MOL4830
-COc1cccc(S(C)=NS(=O)(=O)c2ccc(C)cc2)c1 MOL4831
-Cc1ccc(S(=O)(=O)N=S(C)c2ccc(Cl)cc2)cc1 MOL4832
-Cc1ccc(S(=O)(=O)N=S(C)c2cccc(Cl)c2)cc1 MOL4833
-O=S(=O)(O)O.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1 MOL4834
-Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[N+](=O)[O-] MOL4835
-CC(=O)N1C(=O)C(C)(C2=CC(=O)c3ccccc3C2=O)c2ccc(Br)cc21 MOL4836
-C=C(C)C(C)(C)n1[nH]c(=O)n(-c2ccccc2)c1=O MOL4837
-COc1ccc(C(=C(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 MOL4838
-CN(C)c1ccc(N=C2C=CC(=O)c3ccccc32)cc1 MOL4839
-O=C1C=C(c2ccccc2)C2(c3ccccc3)C1C1C(c3ccccc3)=C(c3ccccc3)C2C12SCCS2 MOL4840
-O=C1OC2C=CC1C1C(=O)OC(=O)C21 MOL4841
-COC(=O)c1oc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OC MOL4842
-c1ccc([PH](Cc2cccc3c2Cc2ccccc2-3)(c2ccccc2)c2ccccc2)cc1 MOL4843
-OC(C1CO1)C(O)C1CO1 MOL4844
-CC(C)C(O)(C(=O)OCC1=CC[N+]2([O-])CCC(O)C12)C(C)O MOL4845
-C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(CO)C(O)C(O)C2O)C1 MOL4846
-C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(CO)C(O)C(O)C4O)C(O)CCC23C)C1 MOL4847
-COC1=C(Br)C(=O)c2nc(C)ccc2C1=O MOL4848
-COC1=C(N)C(=O)c2nc(C)ccc2C1=O MOL4849
-CCOC(=O)C[PH](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL4850
-CCOC(=O)C[PH](c1cccc(F)c1)(c1cccc(F)c1)c1cccc(F)c1 MOL4851
-CCOC(=O)C[PH](c1cccc(OC)c1)(c1cccc(OC)c1)c1cccc(OC)c1 MOL4852
-CCOC(=O)C[PH](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 MOL4853
-CCOC(=O)C[PH](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1 MOL4854
-O=Nc1ccc(C=C2C(=O)C=CC2=O)cc1 MOL4855
-CCC(C)(O)C(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O MOL4856
-CN1CCC2(CC1)N=C1CCN(C)CC1S2 MOL4857
-O=S1(=O)CCCS(=O)(=O)C1CC1S(=O)(=O)CCCS1(=O)=O MOL4858
-CCOP(=O)(OCC)ON=Cc1cccc(C(F)(F)F)c1 MOL4859
-c1ccc(-c2onc3c2CCCC3)cc1 MOL4860
-CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL4861
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL4862
-c1noc2c1CCCC2.c1onc2c1CCCC2 MOL4863
-NC(CCCCCC(N)C(=O)O)C(=O)O MOL4864
-Cc1cc(C)c(C(=O)OC(c2ccccc2)C(c2ccccc2)N2CCOCC2)c(C)c1 MOL4865
-CN(C)C(c1ccccc1)C(O)c1ccccc1 MOL4866
-CN(c1ccccc1)C(c1ccccc1)C(O)c1ccccc1 MOL4867
-c1ccc(C2N=NN(c3ccccc3)C2N2CCCCC2)cc1 MOL4868
-c1ccc(CC(c2ccccc2)N2CCOCC2)cc1 MOL4869
-c1ccc(N2N=NC3CCCC32N2CCCCC2)cc1 MOL4870
-CN1C2CCC1CC1(C2)SCCS1 MOL4871
-Cc1nc2c(O)ncnc2o1 MOL4872
-COC(=O)C(C)(C)C(OP(C)(=O)OC)=C(C)C MOL4873
-CCOC(=O)C(C)(C)C(OP(=S)(OCC)OCC)=C(C)C MOL4874
-CCCOC(=O)C(C)(C)C(OP(=O)(OCCC)OCCC)=C(C)C MOL4875
-COC(=O)C(C)(C)C(OP(=S)(OC)OC)=C(C)C MOL4876
-CC(C)=C(OP(C)(I)(N(C)C)N(C)C)C(C)(C)C(=O)N(C)C MOL4877
-CC(C)=C(OP1(=S)OCCN1C)C(C)(C)C(=O)N(C)C MOL4878
-Clc1cccc(Sc2ccccc2)c1 MOL4879
-O=C(c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O MOL4880
-O=C(c1ccccc1Cl)c1c(O)c2ccccc2oc1=O MOL4881
-O=C(c1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O MOL4882
-O=C(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL4883
-O=C(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O MOL4884
-CCOP(=O)(OCC)C(C#N)=Cc1ccccc1 MOL4885
-CCOP(=O)(OCC)C(C#N)=Cc1ccccc1OC MOL4886
-CCOC(=O)C(=Cc1ccc(OCc2ccccc2)cc1)P(=O)(OCC)OCC MOL4887
-CC(C)P(=O)(N(C)C)N(C)C MOL4888
-CCOP(=O)(OCC)C(=Cc1ccccc1)P(=O)(OCC)OCC MOL4889
-C1CCN2CC34CC(CC5CCCN(C6CCCC3N6)C54)C2C1 MOL4890
-CCCCCCC(C)S(=O)(=O)O MOL4891
-O=C(O)O MOL4892
-COc1cc2oc(-c3ccc(O)cc3)c(OC3OC(C)C(O)C(O)C3O)c(=O)c2c(O)c1OC MOL4893
-CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O MOL4894
-CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)CCOC1=O MOL4895
-CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)CCOC1=O MOL4896
-CC(=O)C1(N=Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CCOC1=O MOL4897
-Cc1nnc(NS(=O)(=O)c2ccc(N=NC3SC(=S)NC3=O)cc2)s1 MOL4898
-O=C1NC(=S)SC1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 MOL4899
-Cc1ccc(S(=O)(=O)SCC(=O)c2ccc(Br)cc2)cc1 MOL4900
-Cc1ccc(S(=O)(=O)SC(SCC(=O)c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1 MOL4901
-O=S(=O)(SCCCCSS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL4902
-CC1C=C2c3ccccc3CC2C2C(=O)OC(=O)C12 MOL4903
-O=C(O)C1C(C(=O)O)C2C=CC1C21CCCC1 MOL4904
-Cc1ccc(S(=O)(=O)OCC2CC=CCC2COS(=O)(=O)c2ccc(C)cc2)cc1 MOL4905
-N#CC1(OC2CCCCO2)Cc2ccccc2C1 MOL4906
-CC1(CO)CCCCC1=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL4907
-O=C(O)CC1CC=CCC1CC(=O)O MOL4908
-N#CC1(O)Cc2ccccc2C1 MOL4909
-CC(=O)Oc1ccc2c(c1)Cc1cc(N=[N+]([O-])c3ccc4c(c3)Cc3cc(OC(C)=O)ccc3-4)ccc1-2 MOL4910
-CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12 MOL4911
-CC1(C(=O)O)CC(C(=O)O)=Nn2c3ccccc3c3cccc1c32 MOL4912
-CCOC(=O)c1cn2c3c(cccc3c1=O)CC2 MOL4913
-COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O MOL4914
-COC12C(COC(=O)NCCO)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12 MOL4915
-CCC1=C(CC2NCCc3ccccc32)CC2c3cc(OC)c(OC)cc3CCN2C1 MOL4916
-COc1cc2c(cc1OC)C(CC1=C(c3ccccc3)CN3CCc4cc(OC)c(OC)cc4C3C1)NCC2 MOL4917
-COc1cc2c(cc1OC)C1CC3(CC4c5cc(OC)c(OC)cc5CCN4CC3CO)C(CO)CN1CC2 MOL4918
-COc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1OC MOL4919
-C=C1C(=O)OC2C=C(C)CC(O)C=C(C)CC(OC(=O)C(=CC)COC(C)=O)C12 MOL4920
-CC1=CC2=CC(C)CC23OC(=C(C)C3=O)CC(C)(C)C=CC1=O MOL4921
-Cc1cc(O)c2c(c1)OC1(C)CCC3C(C)(C)CCCC34COC2C14 MOL4922
-CC(C)(O)CCC(=O)C(C)(O)C1CCC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C MOL4923
-CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C MOL4924
-N#CC1CC12c1ccccc1C(=O)c1ccccc12 MOL4925
-N#CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4926
-O=c1c(I)c[nH]cc1I MOL4927
-COC1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC12 MOL4928
-O=C1C2C3C=CC(C3)C2S(=O)(=O)C2C3C=CC(C3)C12 MOL4929
-O=S(=O)(c1ccccc1)N1CC2CC(Br)C(Br)CC21 MOL4930
-CC1=CC(C)C(=O)N(CCN2CCOCC2)C(C)=C1 MOL4931
-CC1=CC(C)C(=O)N(CC(C)N2CCCC2)C(C)=C1 MOL4932
-CC1=CC(C)C(=O)N(C)C(C)=C1 MOL4933
-CCN1C(=O)C(C)C=C(C)C=C1C MOL4934
-O=S1(=O)C(c2ccccc2)C(N2CCCCC2)C1C1CC2c3ccccc3C1c1ccccc12 MOL4935
-O=C(c1ccccc1)N1CCCCC(Cl)C1=O MOL4936
-CCN(CC)C1C=CCC2C1S(=O)(=O)C2(C)C MOL4937
-C[N+](C)(C)C1C=CCC2=C1S(=O)(=O)C2 MOL4938
-O=c1c(-c2ccccc2)c(S)sc(S)c1-c1ccccc1 MOL4939
-CN1C2CCCC1CC(=O)NC2 MOL4940
-O=C1C(c2ccccc2)CS(=O)(=O)CC1c1ccccc1 MOL4941
-CN(C)c1ncnc2c1ncn2C1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC21 MOL4942
-C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 MOL4943
-O=C1NC(C2CCC(Cl)CN2)C(=O)NC1C1CCC(Cl)CN1 MOL4944
-O=C1OC(c2cccc3ccccc23)c2ccccc21 MOL4945
-O=C1OC(c2cccc3c(F)cccc23)c2ccccc21 MOL4946
-CC1(c2ccc(F)cc2)OC(=O)c2c1ccc1ccccc21 MOL4947
-CCCCCCCCCCCCCCCC(=O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O MOL4948
-COc1nc(N)c(C#N)c(C#N)c1C#N MOL4949
-C1COC(N2CC3CCC(CC3)C2)=N1 MOL4950
-CNC.COc1cc(C(C#N)S(=O)(=O)O)ccc1O MOL4951
-O=C(Nc1cccc2ccccc12)N1CCCC(Br)C1 MOL4952
-ClC1=C(Cl)C(Cl)(Cl)SS1 MOL4953
-O=c1ssc(Cl)c1Cl MOL4954
-c1ccc2c(c1)CCN(C1=NCCO1)C2 MOL4955
-N#CC(C#N)=Cc1ccc(SCc2ccc(Cl)cc2)cc1 MOL4956
-COC1CN(C)C(=Nc2cccc3ccccc23)S1 MOL4957
-Clc1nc(Cl)nc(NCCBr)n1 MOL4958
-C=CS(=O)(=O)CCN1CC1 MOL4959
-CCOC(=O)CN1C(=O)C(=O)c2ccccc21 MOL4960
-CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)O MOL4961
-O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 MOL4962
-COC(=O)C(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4963
-COC(=O)C(C(C[N+](=O)[O-])c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4964
-COC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4965
-CC1(Br)C(=O)C(O)=C(Br)C1=O MOL4966
-O=C1C(=O)C(Br)(c2ccccc2)C(=O)C1c1ccccc1 MOL4967
-O=c1cc(O)c2ccc(O)cc2o1 MOL4968
-CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 MOL4969
-COc1ccc(C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 MOL4970
-COc1cc(C(=O)c2cocc2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL4971
-COc1cc(SSc2ccc(N)c(OC)c2)ccc1N MOL4972
-O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 MOL4973
-CCOC(=O)C1C(=O)CC2c3nc4ccccc4cc3CN2C1=O MOL4974
-CCCC(C)(COC(N)=O)COC(=O)NC1CC1 MOL4975
-CC(=O)CC(OC(C)=O)C1=CCC2C(CC1C)OC(=O)C2C MOL4976
-C=C1C(=O)OC2CC(C)C(C=CC(C)=O)=CCC12 MOL4977
-C=C1C(=O)OC2CC(C)C(C(CC(C)=O)OC(C)=O)=CCC12 MOL4978
-C=C1C(=O)OC2CC(C)C3CC(O)OC(OCC)C3(C)CC12 MOL4979
-O=C1NCCN1c1ncc([N+](=O)[O-])s1 MOL4980
-COC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C MOL4981
-CC(C)CC(NC(=O)C(CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NN MOL4982
-COc1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1OC MOL4983
-CSc1s[s+]c(SC)c1-c1ccccc1 MOL4984
-CCOc1ccc(N=c2ssc(SC)c2-c2ccccc2)cc1 MOL4985
-CN1C2c3ccccc3C3C4c5ccccc5C(C31)C(C2[N+](=O)[O-])N4C MOL4986
-CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)=NNc1ccccc1 MOL4987
-CCOC(=O)C(Cc1cc(=O)n(C)c2ccccc12)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL4988
-CCOC(=O)C(O)=Cc1cc(=O)n(C)c2ccccc12 MOL4989
-COc1cc2ccc(C(=O)O)cc2cc1OC MOL4990
-O=S(=O)(F)c1cc(Cl)ccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL4991
-CC1=C(C)CC2(CC1)C(=O)NC(=O)NC2=O MOL4992
-CC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O MOL4993
-O=[N+]([O-])c1ccc(N=Nc2ccc(N=C=S)cc2)cc1 MOL4994
-Cc1nc2c(N)ncnc2o1 MOL4995
-Nc1ncnc2oc(-c3ccccc3)nc12 MOL4996
-c1ccc(-c2nc3c(N4CCOCC4)ncnc3o2)cc1 MOL4997
-O=C(Nc1ccccc1)C(c1ccccc1)N(Nc1ccccc1)c1ccccc1 MOL4998
-O=C(Nc1ccccc1)C(c1ccccc1)N(Nc1ccccc1Cl)c1ccccc1Cl MOL4999
-c1ccc(C2(c3ccccc3)OCCO2)cc1 MOL5000
-NC(=O)C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1 MOL5001
-NC(=O)C(NN=C(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 MOL5002
-NC(=O)C(NN=C1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1 MOL5003
-O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1 MOL5004
-Cc1cc(O)oc(=O)c1 MOL5005
-CCOC(=O)C1(C(=O)OCC)COC(=O)C1CN1Cc2cc3ccccc3nc2C1 MOL5006
-CC(=O)OCC1C(=O)OCC1C(=O)N1Cc2cc3ccccc3nc2C1 MOL5007
-c1cc2ccc3ccc[n+]4c3c2[n+](c1)CCC4 MOL5008
-O=C1CC(=O)Nc2ccccc2N1 MOL5009
-O=C1N=NC(=O)c2ccccc21 MOL5010
-O=C1NCCCCCCCCNC(=O)c2cccc1c2 MOL5011
-CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13 MOL5012
-CS1(=O)=CC(=O)CC(c2ccccc2)C1 MOL5013
-CCC[n+]1nc(Nc2ccccc2[N+](=O)[O-])c2ccccc2n1 MOL5014
-O=c1c2ccccc2n2nnc3cccc1c32 MOL5015
-NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O MOL5016
-CCS(=O)(=O)O.CN(C)C(=O)c1cccc(COc2ccc(N3C(=N)NC(=N)NC3(C)C)cc2Cl)c1 MOL5017
-N=C1NC2OC(CO)C(O)C2O1 MOL5018
-Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL5019
-CC(=O)c1c(O)cc(C)oc1=O MOL5020
-Cc1ccc(C(=O)C=C2SSC(=CC(=O)c3ccc(C)cc3)S2)cc1 MOL5021
-CC(=O)C1=C(O)C(c2ccccc2)c2ccccc21 MOL5022
-CC(=O)OC12CCCC(=O)C1C1CCC=CCCC12 MOL5023
-O=C(O)C(SSC(C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 MOL5024
-CC1(C)OC(=O)C2C3C=CC(C2C(=O)O)C31 MOL5025
-O=C(C(=C1SSC(=C(C(=O)c2ccccc2)c2ccccc2)S1)c1ccccc1)c1ccccc1 MOL5026
-N=C1NCC(c2ccc(Cl)cc2)O1 MOL5027
-N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O MOL5028
-O=S(=O)(O)SCCCNCCCNCCCSS(=O)(=O)O MOL5029
-CCCC(O)S(=O)(=O)O MOL5030
-CN1c2c(O)nc(N)nc2NCC1CCNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 MOL5031
-Cc1cc(NS(=O)(=O)c2ccc(N)cc2)sn1 MOL5032
-CCN(CC)CCCNc1nnc2c(=O)n(C)c(=O)n(C)c2n1 MOL5033
-CCOC(=O)n1[nH][nH]c2c(c(=O)n(C)c(=O)n2C)n1C(=O)OCC MOL5034
-O=S(=O)(Cc1ccccc1)CS(=O)(=O)Cc1ccccc1 MOL5035
-O=C(O)C1=CCCc2ccc3ccccc3c21 MOL5036
-CN(CCSSCCN(C)C(N)=S)C(N)=S MOL5037
-Clc1ccc2nsnc2c1 MOL5038
-CN(C)N=Nc1cccc(C(N)=O)c1 MOL5039
-Cc1cn(C2CC(F)C(CO)O2)c(=O)[nH]c1=O MOL5040
-COC(OC(CO)C(O)S(=O)(=O)O)C(O)S(=O)(=O)O MOL5041
-COC12CCCC1S(=O)(=O)C2 MOL5042
-O=S1(=O)CC2(N3CCCCC3)CCCCC21 MOL5043
-Cc1ccccc1N1OS(=O)(=O)CC1(C#N)c1ccccc1 MOL5044
-O=S1(=O)CC(c2ccccc2)(c2ccccc2)Nc2ccccc21 MOL5045
-CC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5046
-CC1(C)C(=O)C(C)(C)C1O MOL5047
-Cc1nnnn1C12CC3CC(CC(C3)C1)C2 MOL5048
-O=c1ccc2c(ccc3ncccc32)o1 MOL5049
-c1ccc([PH](Cc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1 MOL5050
-COc1ccc(C(C(N)=O)N2CCCCC2)cc1 MOL5051
-COC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OCc1ccccc1 MOL5052
-O=C1Nc2ccccc2Oc2ccccc21 MOL5053
-Cc1ccc(S(=O)(=O)SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL5054
-COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O MOL5055
-c1ccc([PH](Cc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1 MOL5056
-C1Cn2nnnc2N1 MOL5057
-CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 MOL5058
-CN(CCSSCCN(C)N=Cc1ccccc1)N=Cc1ccccc1 MOL5059
-N=C(CSS(=O)(=O)O)NCCSS(=O)(=O)O MOL5060
-O=S1(=O)c2ccc(cc2)N=CC=Nc2ccc1cc2 MOL5061
-O=S1(=O)CC2(N3CCOCC3)CCCC21 MOL5062
-CC1(Br)OC(=O)C(C)(Br)OC1=O MOL5063
-O=C1OC(Cl)(C(Cl)(Cl)Cl)C(=O)OC1(Cl)C(Cl)(Cl)Cl MOL5064
-O=S(=O)(O)SCCCNCCCCCCCCNCCCSS(=O)(=O)O MOL5065
-O=S(=O)(O)SCCCNCCCCCCNCCCSS(=O)(=O)O MOL5066
-CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2 MOL5067
-COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CC=C(C)C MOL5068
-COC1C(=O)CCC2(CO2)C1(O)C1(C)OC1CCC(C)C MOL5069
-Cc1nc2ccccc2cc1C[N+]12CN3CN(CN(C3)C1)C2 MOL5070
-c1ccc2c(c1)C1=NCCN1c1ccccc1-2 MOL5071
-COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4 MOL5072
-COC(=O)C(O)C(O)(CCC(C)C)C(=O)OC1C(OC)=CC23CCCN2CCc2cc4c(cc2C13)OCO4 MOL5073
-O=C(Nn1c(=O)c(=O)oc2ccccc21)C(F)(F)F MOL5074
-CSc1ccc(NC(=O)Nc2cc(C)ccn2)cc1 MOL5075
-Nc1ccc(S(=O)(=O)S(=O)(=O)c2ccc(N)cc2)cc1 MOL5076
-COc1ccc(N=c2ssc(SC)c2-c2ccccc2)cc1 MOL5077
-O=[N+]([O-])c1ccc(C[N+]23CCN(CC2)CC3)cc1 MOL5078
-O=C1C(=O)N(CNC(c2ccccc2)c2ccccc2)c2ccccc21 MOL5079
-Cc1cc(CSc2ssc(=S)c2-c2ccccc2)c(CSc2ssc(=S)c2-c2ccccc2)cc1C MOL5080
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)n1 MOL5081
-Brc1ccc(C[N+]23CCN(CC2)CC3)cc1 MOL5082
-Clc1nc(Cl)nc(-c2cccn2-c2ccccc2)n1 MOL5083
-CCOC(=O)Cn1c(=O)cc(C)c2ccccc21 MOL5084
-CN1C(=O)C=C(C=Nc2ccc(-c3ccccc3)cc2)C2CCCCC21 MOL5085
-N#CC1C(=O)NC(=O)C(C#N)C12CCCc1sccc12 MOL5086
-O=C(O)c1ccccc1C(=O)NC(Cc1c[nH]cn1)C(=O)O MOL5087
-CSCCC(NC(=O)c1ccccc1C(=O)O)C(=O)O MOL5088
-S=C(NCCSSCCNC(=S)Nc1ccccc1)Nc1ccccc1 MOL5089
-CN(C)Cc1cc(C23CC4CC(CC(C4)C2)C3)cc(-c2ccccc2)c1O MOL5090
-CCCCn1c(=O)cc(C(=O)O)c2ccccc21 MOL5091
-C=CN1CCCC1=O MOL5092
-CCOC(=O)c1cnc2cc(OCC3CC3)c(OCC3CC3)cc2c1O MOL5093
-CN(C)C(=O)N=NC(=O)N(C)C MOL5094
-COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(OC3CC(C)(O)C(O)C(C)O3)C(C)O2)C(O)C(C)O1 MOL5095
-Cc1cc(NCCCCCCNc2cc(C)nc3ccc(N)cc23)c2cc(N)ccc2n1 MOL5096
-NC(=O)c1[nH]nc(C2OC(CO)C(O)C2O)c1O MOL5097
-Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2 MOL5098
-Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2 MOL5099
-CCOC(=O)N1CCc2cc(OC)c(OC)c3c2c1cc1cc(OC)c(OC)cc13 MOL5100
-COc1ccc(C=C(C#N)c2ccc(C)cc2)cc1OC MOL5101
-Cc1ccccc1NC(=S)Nc1ccccn1 MOL5102
-CCCCCCCCCCCCS(=O)(=O)O.CCC[N+](C)(C)C MOL5103
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5104
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCNCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5105
-CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5106
-CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5107
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5108
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(O)(Cc6ccccc6)CC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5109
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CC(C)(C)C5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5110
-CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5111
-CCOC(=O)N1CCN(C(=O)COc2cc3c(O)c4c(O)c(C)c5c(c24)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)CC1 MOL5112
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5113
-CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5114
-CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5115
-CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5116
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5117
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5118
-CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5119
-C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5120
-CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5121
-CCCCCN(CCCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5122
-CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5123
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5124
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5125
-CCN(CC)CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5126
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(=O)OC(C)(C)C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5127
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5C(C)CCC5C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5128
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5129
-C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5130
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCOCC5C)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5131
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CCCCC(=O)O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5132
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NO)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5133
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5134
-CCCN(CCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5135
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCOCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5136
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5137
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5ccc6ccccc6c5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5138
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5ccccc5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5139
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nc5cccc(C)c5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5140
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCC(N6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5141
-CON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5142
-CCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5143
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCOCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C1C MOL5144
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCO)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5145
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOC(C(=O)O)C(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5146
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOC(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5147
-CCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5148
-CCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5149
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5150
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCCN5CCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5151
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNc5ncccn5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5152
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5153
-CCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5154
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NO)CC3OC1CC(N)C(O)C(C)O1 MOL5155
-NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12 MOL5156
-c1ccc2c3c(ccc2c1)CN1CCCCC1C3 MOL5157
-CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2 MOL5158
-CCOP(=O)(N=C1C2CCC(C2)C1C)OCC.CCOP(=O)(N=C1C2CCC(C2)C1C)OCC MOL5159
-CC(C)c1nc(Nc2ccccc2)n(P(=O)(N(C)C)N(C)C)n1 MOL5160
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5161
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5162
-COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O MOL5163
-CC(=O)OC1C(=O)C(O)C(C)OC1OC1CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)O MOL5164
-Oc1nc2ccccc2nc1CBr MOL5165
-COc1ccc2nc(CI)c(CI)nc2c1 MOL5166
-Nc1nc(O)c2c(n1)NCC1CCN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CN21 MOL5167
-COc1cccc(C2=CCCCCC2)c1OC MOL5168
-CC1(Cc2ccccc2)C[N+]12CCCCC2.[O-][Cl+3]([O-])([O-])O MOL5169
-C[N+]1(Cc2ccccc2)CC12CCCCC2.[O-][Cl+3]([O-])([O-])O MOL5170
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CS(=O)(=O)CC1=Cc1ccc([N+](=O)[O-])cc1 MOL5171
-COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC MOL5172
-O=C1NC2(c3ccccc3)NC(=O)NC2(c2ccccc2)N1 MOL5173
-O=S(=O)(C1CCCCC1)N1N=NC2CCCCC21 MOL5174
-CC(=O)OC1(C)C=Cc2ccccc2C1=NS(=O)(=O)c1ccccc1 MOL5175
-CC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)C(=O)OC2=O MOL5176
-[O-][n+]1ccc(S)c2ccccc21 MOL5177
-CC(=O)OC1(C)C=CC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 MOL5178
-NS(=O)(=O)c1cc[n+]([O-])c2ccccc12 MOL5179
-O=C1Nc2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc1c23 MOL5180
-Cc1ccc(S(=O)(=O)N(CCC(=O)O)c2ccccc2)cc1 MOL5181
-O=C1Nc2ccc([N+](=O)[O-])c3c(C(=O)O)ccc1c23 MOL5182
-Nc1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 MOL5183
-COc1c(NS(=O)(=O)c2ccccc2)cc2c3c(cccc13)C(=C1Cc3cccc4c(OC)c(NS(=O)(=O)c5ccccc5)cc1c34)C2 MOL5184
-CC(=NO)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2 MOL5185
-CC1(C)C=CC(C)(C)c2c(NS(=O)(=O)c3ccccc3)ccc(NS(=O)(=O)c3ccccc3)c21 MOL5186
-CN1C=CC(C(C(N)=O)c2ccccc2)c2ccccc21 MOL5187
-O=[N+]([O-])c1ccc2c([N+](=O)[O-])ccc3c2c1CC3 MOL5188
-Cc1cc2c(c(=O)n1C)COC2=O MOL5189
-Cc1nn(C)c2c1NC(=O)CS2 MOL5190
-CS(=O)(=O)c1nc(Cl)c(Cl)c(C#N)c1Cl MOL5191
-O=C(O)CCNc1ccc2c(c1)B(O)OC2 MOL5192
-O=c1[nH]c2ccccc2c(=O)c2ccccc12 MOL5193
-Cc1cc(C)c(C(=O)c2no[n+]([O-])c2C(=O)c2c(C)cc(C)c(Br)c2C)c(C)c1Br MOL5194
-Cc1nnc2ccc(Br)cc2c1O MOL5195
-Oc1cnnc2c(Br)cc(Br)cc12 MOL5196
-Oc1cnnc2cc(Cl)ccc12 MOL5197
-Cc1nnc2ccc([N+](=O)[O-])cc2c1O MOL5198
-O=C1CC2CCCC(C1)S2=O MOL5199
-O=C(Nc1ccc(S(=O)(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc12)Sc1ncnc2[nH]cnc12 MOL5200
-C=C1C(=O)OCC2C(C(=O)O)=CC3C(C)C(C)=CC123 MOL5201
-CC(CCCC1SCC2NC(=O)NC21)C(=O)O MOL5202
-NC1(C(=O)O)C2CC3CC(C2)CC1C3 MOL5203
-CC(=O)C(O)N1C(=O)C=CC1=O MOL5204
-O=C(OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 MOL5205
-O=C(c1ccccc1)C(O)(CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 MOL5206
-CCOC(=O)c1c(OC)cc2n(c1=O)Cc1cc3ccccc3nc1-2 MOL5207
-C=CCNC(=O)C(O)C(O)C(=O)NCC=C MOL5208
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5209
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5210
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5211
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5CCCCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5212
-N=c1ccn2c(n1)OC1C(O)C(CO)OC12 MOL5213
-O=C1CCCCC1=Cc1ccccc1 MOL5214
-O=C1CCCCC1=Cc1ccc(Cl)cc1 MOL5215
-ON=C1CCCCC1=CC=Cc1ccccc1 MOL5216
-C=C1C(=O)OC2CC(C)C(C(O)CC(C)O)=CCC12 MOL5217
-COc1ccc(Oc2cc(CC3c4cc(OC)c(OC)cc4CCN3C)c([N+](=O)[O-])cc2OC)cc1OC MOL5218
-Cc1c2ccccc2c(CSC(=N)N)c2ccccc12 MOL5219
-COC(=O)C1(C)CCCC2(C)C1CCC13OOC(CC21)C1(C(C)C)OC31 MOL5220
-COC(=O)C1(C)CCCC2(C)C1CCC1(O)C(O)C(C(C)C)=CCC21 MOL5221
-COC(=O)C1(C)CCCC2(C)c3cc(C(C)=O)c(C(C)C)cc3CCC12 MOL5222
-CC(=O)c1cc2c(cc1C(C)C)CCC1C(C)(C#N)CCCC21C MOL5223
-COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2C(C3)N(C)CC4)cc1OC MOL5224
-O=c1cnn(C2OC(CO)C(O)C2O)c(=S)[nH]1 MOL5225
-COC1=CC(=O)OC1=C(OC)C1OC1c1ccccc1 MOL5226
-O=C1CCC(c2ccccc2)(C2(c3ccccc3)CCC(=O)O2)O1 MOL5227
-COc1cc2c(cc1OC)C(OC)N(C)c1c-2ccc2cc3c(cc12)OCO3 MOL5228
-COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 MOL5229
-NC(=O)C(NCc1ccccc1)c1ccccc1 MOL5230
-CCOC(=O)c1c(C)[nH]c(C(=O)C(N=O)C(=O)OCC)c1C MOL5231
-CCOC(=O)C(N=O)C(=O)c1ccccc1 MOL5232
-COc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 MOL5233
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1F MOL5234
-CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21 MOL5235
-CC1(C)OC2CC3CC(OC3=O)C2O1 MOL5236
-COc1ccc2c(c1)c(C(=O)O)cc(=O)n2C MOL5237
-COC(=O)c1cc(=O)n(C)c2ccc(OC)cc12 MOL5238
-COc1cc2ccc(C(C)=NOC(C)=O)cc2cc1OC MOL5239
-COc1cc2ccc(CC(N)=O)cc2cc1OC MOL5240
-C(=Cc1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5241
-C1CC[N+]23CCCC(C2)C3C1.Cc1ccc(S(=O)(=O)O)cc1 MOL5242
-C[N+]12CC3C(O)CC1CCC32 MOL5243
-COc1ccc(CC2NCC(O)C2OC(C)=O)cc1 MOL5244
-O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1 MOL5245
-CCOC1OCN(C)CC1(C)C MOL5246
-O=C1CSCC(=O)O1 MOL5247
-Cc1c(C(=O)O)cc2n(c1=O)Cc1cc3ccccc3nc1-2 MOL5248
-O=C(O)CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5249
-O=C(O)c1ccc(SSc2ccc(C(=O)O)cn2)nc1 MOL5250
-Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 MOL5251
-Nc1cnc(N2CCN(c3ncc(N)cc3N)CC2)c(N)c1 MOL5252
-COC(=O)c1c(C(=O)OC)c2c(-c3ccccc3)cc3cccc1n32 MOL5253
-CC1=Nc2ccccc2N=C(C)C1 MOL5254
-CCC(=O)C=Cc1ccccc1 MOL5255
-C1CCC(NC2CCCCC2)CC1.O=C(O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=Cc1cccs1 MOL5256
-O=S(=O)(F)c1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL5257
-CCC1(Br)OC1=O MOL5258
-CCOC(=O)C1(C)C(=O)CC2c3nc4ccccc4cc3CN2C1=O MOL5259
-COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1C MOL5260
-COc1cc2c(cc1OC)C(=O)Cc1ccc(OC)c(OC)c1CN(C)CC2 MOL5261
-COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3C(C2)N1C MOL5262
-O=c1[nH]c(=O)n(C2CCCO2)cc1F MOL5263
-N=c1c2ccccc2nnn1Cc1ccccc1 MOL5264
-O=[N+]([O-])c1ccc(N2N=NC3C4CCC(C4)C32)cc1 MOL5265
-O=C1C=C(N2CCOCC2)C(=O)c2nccnc21 MOL5266
-CCOC(=O)C=C1Nc2cc(Cl)c(Cl)cc2NC1=O MOL5267
-c1ccc2c(c1)NC1CCN2C1 MOL5268
-Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.O=S(=O)(O)O MOL5269
-COC(=O)C1(C)CCCC2(C)C1CCC13OCC(CC21)C1(C(C)C)OC31 MOL5270
-COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2Br)cc1OC MOL5271
-COC(=O)C(c1ccccc1)C(SCc1ccccc1)c1ccccc1 MOL5272
-O=S(CC(O)c1ccccc1)c1ccccc1 MOL5273
-O=C1c2ccccc2C(=O)c2cscc21 MOL5274
-CCOC(=O)c1c(-c2ccccc2)csc1N MOL5275
-O=C(O)c1sccc1-c1cccc2ccccc12 MOL5276
-N#CC(=Cc1cccs1)c1ccccc1 MOL5277
-O=C(O)c1cscc1-c1cccc2ccccc12 MOL5278
-O=C1c2ccccc2C(=O)c2sccc21 MOL5279
-O=C1c2ccsc2C(=O)c2ccsc21 MOL5280
-O=C1c2sccc2-c2cccc3cccc1c23 MOL5281
-CC(C)(c1cccs1)c1cscc1C(=O)O MOL5282
-O=C(O)c1cscc1Cc1ccccc1 MOL5283
-O=C(O)c1ccsc1Cc1cccs1 MOL5284
-CCOC(=O)c1sc(C(=O)O)cc1-c1cccs1 MOL5285
-OC(c1ccsc1)c1ccsc1 MOL5286
-CC(C)(c1ccsc1)c1sccc1C(=O)O MOL5287
-N#Cc1ccsc1C#N MOL5288
-O=C(O)c1cc(-c2cccs2)c(C(=O)O)s1 MOL5289
-O=C(O)c1sccc1Cc1ccsc1 MOL5290
-O=C(O)c1cscc1Cc1cccs1 MOL5291
-O=C1c2ccsc2C(=O)c2sccc21 MOL5292
-O=C1c2cscc2C(=O)c2c(Cl)sc(Cl)c21 MOL5293
-O=C1c2cscc2C(=O)c2cscc21 MOL5294
-O=C1c2cscc2C(=O)c2sccc21 MOL5295
-CC(=O)Oc1c2ccsc2cc2ccsc12 MOL5296
-N#Cc1cscc1C#N MOL5297
-O=[N+]([O-])c1ccc(NN=CC(c2ccccc2)c2ccsc2)c([N+](=O)[O-])c1 MOL5298
-COC(=O)c1cc2c(s1)C(=O)c1ccccc1-2 MOL5299
-O=c1c2c([nH]c3ccccc13)CSC2 MOL5300
-O=C(O)C(O)(c1ccccc1)c1ccsc1 MOL5301
-O=C1OC(=O)c2c(O)cc(=O)c(O)cc21 MOL5302
-O=c1c2ccccc2c2nccc3c4ccccc4n1c32 MOL5303
-CN1CCN(CCSSCCN2CCN(C)CC2)CC1 MOL5304
-C1CN(CCSSCCN2CCOCC2)CCO1 MOL5305
-CC1CCCN(CCSSCCN2CCCC(C)C2)C1 MOL5306
-c1ccc2nc(NCCSSCCNc3cnc4ccccc4n3)cnc2c1 MOL5307
-c1cnc(NCCSSCCNc2ncccn2)nc1 MOL5308
-CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1cccc([N+](=O)[O-])c1 MOL5309
-CN1CC2(c3ccccc3)CN(C)CC(c3ccccc3)(C1)C2=O MOL5310
-[BH3-][N+]1(C)CC[N+]([BH3-])(C)CC1 MOL5311
-c1ccc([B-]2(c3ccccc3)[n+]3ccccc3-c3cccc[n+]32)cc1 MOL5312
-CNC(=O)Nc1ccncc1 MOL5313
-CCOC(=O)c1cc(-c2ccc3ccccc3n2)c(O)c2cc3ccccc3nc12 MOL5314
-c1cnc2c(OB(C3CCCCC3)C3CCCCC3)cccc2c1 MOL5315
-F[B-](F)(F)F.[H][H-][B-]1([H-][H])[n+]2ccccc2-c2cccc[n+]21 MOL5316
-COc1ccc(C2C(C(C)=O)=C(C)NC(C)=C2C(C)=O)cc1 MOL5317
-[BH3-][N+](C)(C)CC[N+]([BH3-])(C)C MOL5318
-c1ccc2c(c1)c1ccccc1c1nc3c(nc21)CCCC3 MOL5319
-NN.O=S(=O)(O)O MOL5320
-O=C1C2CCN(CC2)C1CN1CCOCC1 MOL5321
-O=C(O)c1c2c(nc3ccccc13)-c1ccccc1C1(CCCC1)C2 MOL5322
-O=C1c2ccccc2CCC1(Br)Cc1ccccc1 MOL5323
-CC1(C)CC(Br)(Cc2ccccc2)C(=O)c2ccccc21 MOL5324
-CC1(C)c2ccccc2C(=O)C1(Br)Cc1ccccc1 MOL5325
-O=C1c2ccccc2CCC1(Br)C(Br)c1ccccc1 MOL5326
-O=C1c2ccccc2CC1(Br)C(Br)c1ccccc1 MOL5327
-O=C1c2ccccc2C(=O)C1(Br)C(Cl)c1ccccc1 MOL5328
-O=C1c2ccccc2C(=O)C1(Br)C(Br)c1ccccc1 MOL5329
-O=C1c2ccccc2C(=O)C1(Cl)C(Cl)c1ccc([N+](=O)[O-])cc1 MOL5330
-COC(=O)C1C2C(=O)NC(=O)C2C(c2ccc(-c3ccccc3)cc2)N1C1CCCCC1 MOL5331
-Cc1ccccc1CC1(Br)CC(C)(C)c2ccccc2C1=O MOL5332
-O=C1N=NC(=O)N1c1ccccc1 MOL5333
-Cl[Ni-2]1(Cl)NCC[N+]12CC2 MOL5334
-CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(C=O)=C4C=C(OCCCl)CCC4(C)C3(F)C(O)CC12C MOL5335
-COc1ccc(NC(=S)Nc2ccccn2)cc1 MOL5336
-COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1 MOL5337
-[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1cc[s+]cc12 MOL5338
-Cc1ccc2c(c1)-c1[nH]c3ccccc3c1CS2 MOL5339
-[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)[nH]c1c3ccccc3[s+]cc21 MOL5340
-[O-][Cl+3]([O-])([O-])O.c1ccc2c(c1)c[s+]c1c3ccccc3[nH]c21 MOL5341
-O=[N+]([O-])c1ccc2nc3ccscc-3c2c1 MOL5342
-COc1ccc2[nH]c3c4ccccc4[s+]cc3c2c1.[O-][Cl+3]([O-])([O-])O MOL5343
-Cc1ccc2[s+]cc3c4ccccc4[nH]c3c2c1.[O-][Cl+3]([O-])([O-])O MOL5344
-CC1Sc2ccccc2-c2[nH]c3ccccc3c21 MOL5345
-COc1ccc2c(c1)[nH]c1c3ccccc3[s+]cc21.[O-][Cl+3]([O-])([O-])O MOL5346
-Cc1ccc2c(c1)SCc1c-2[nH]c2ccccc12 MOL5347
-Cc1[s+]c2ccccc2c2[nH]c3ccccc3c12.[O-][Cl+3]([O-])([O-])O MOL5348
-Cc1cc2[nH]c3c4ccccc4[s+]cc3c2cc1C MOL5349
-Cc1ccc2c(c1)[s+]cc1c3ccccc3[nH]c21 MOL5350
-CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(=O)O)C(O)CC(OC2OC(C)C(O)C(N)C2O)C=CC=CC=CC=CCCC=CC=CC(C)(O)C(O)C1C MOL5351
-Cc1c(N)nc(C2CC(=O)N2CC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCNCC(C)O)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1 MOL5352
-OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 MOL5353
-CC1CC(C)(C)NC(=CC(=O)N2Cc3cc4ccccc4nc3C2)O1 MOL5354
-CCOC(=O)CC1=NC(C)(C)CC(C)O1 MOL5355
-CC1CC(C)(C)N=C(CCC[N+](=O)[O-])O1 MOL5356
-COc1ccccc1C1OCC(C)(C)N1C MOL5357
-O=CC1(C(O)C2SCCCS2)SCCCS1 MOL5358
-CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.CC1C[N+](C)=C2CCCCC2=C1O MOL5359
-CCCC(CC)C(C(=O)OCC)C1=NC(C)(C)CC(C)O1 MOL5360
-CC1CC(C)(C)N=C(C(C)CC(C)(C)C)O1 MOL5361
-CN(CCC#N)C1=CCCC1 MOL5362
-CC1(C)CCSC(C=Cc2ccccc2)=N1 MOL5363
-COc1cccc(CCNC(=O)CC#N)c1 MOL5364
-O=[N+]([O-])C=Cc1cc2ccccc2[nH]1 MOL5365
-O=C1CC2c3[nH]c4ccccc4c3CCN2C2=C1CCCC2 MOL5366
-O=S1(=O)CC2OC(c3ccccc3)OC2C1 MOL5367
-CCOC(=O)C(CC1OCCO1)C1=NC(C)(C)CC(C)O1 MOL5368
-O=C1CCCCC1=CC=Cc1ccccc1 MOL5369
-CC1=CC(C)=Nc2ccc(Cl)cc2N1.O=S(=O)(O)O MOL5370
-CCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5371
-CC(=O)C(=O)N1Cc2cc3ccccc3nc2C1 MOL5372
-CC12CCC3C4CCC(=O)C(CCC(=O)O)=C4CCC3(CO1)C2 MOL5373
-O=C1OCC2(CO)SC(c3ccccc3)NC12 MOL5374
-CC(C)(C)OC(=O)C(C1NC2C(=O)OCC2(CO)S1)N1C(=O)c2ccccc2C1=O MOL5375
-COC(=O)C1=CCCCCCC(N2CCOCC2)=C1C(=O)OC MOL5376
-O=C(Sc1ccccc1)C1OC12CCCCC2 MOL5377
-CN(C)c1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 MOL5378
-CN1CCCC1CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12 MOL5379
-O=C(NO)c1ccc(C(=O)NO)c(Br)c1 MOL5380
-C=C=C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5381
-O=c1c2ccccc2c2c3c1cccc3c1cccc3c(=O)c4ccccc4c2c31 MOL5382
-C=C(C)C1CCC2(C(=O)OC)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL5383
-O=C(CC1CCN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C1O)N1CCCC1 MOL5384
-O=C1C=C2CCN(C(=O)c3ccccc3)CC2O1 MOL5385
-O=C(O)CC1CCN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C1O MOL5386
-CCOC(=O)CN1CCC(C2(c3cc4ccccc4[nH]3)OCCO2)CC1 MOL5387
-O=S1(=O)CC(c2ccccc2)=NN=C(c2ccccc2)C1 MOL5388
-CCNC(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)NCC)c1ccc(Cl)cc1 MOL5389
-O=P1(CCc2ccc(Cl)cc2)CC(Br)C(Br)C1 MOL5390
-C[PH]1(CCc2ccc(Cl)cc2)CC=CC1 MOL5391
-CC1=C[PH](CCc2ccccc2)(CCc2ccccc2)C=C1C MOL5392
-Cc1sc2ncnc(N)c2c1C MOL5393
-NC(CN(O)N=O)C(=O)O MOL5394
-CCCCNC(C)(C)C(SSSC(c1cccs1)C(C)(C)NCCCC)c1cccs1 MOL5395
-CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O MOL5396
-N#CC(=Cc1ccccc1Cc1ccccn1)c1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 MOL5397
-Cc1ccc(N2CC(O)CSC2=Nc2ccccc2)cc1 MOL5398
-COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(C)=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2 MOL5399
-Cn1[nH]c(=N)c2cn(C3OC(CO)C(O)C3O)c3ncnc1c23 MOL5400
-COc1cc2c(cc1OC)C(CN)C2 MOL5401
-COc1cc2c(cc1OC)C(C#N)C2 MOL5402
-ClCC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5403
-O=[N+]([O-])c1ccc([N+](=O)[O-])c(Cl)c1 MOL5404
-O=S(=O)(F)c1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1Cl MOL5405
-O=S1(=O)OC2(CCCCC2)c2ccccc21 MOL5406
-N=C1SCc2c1sc1ccccc21 MOL5407
-c1ccc(N2N=NC3C4CC(C5COCC54)C32)cc1 MOL5408
-C1C2CC3C1C1CN3C21 MOL5409
-O=NC1C(Cl)C2CC1C1C(Br)C(Br)CC21 MOL5410
-COc1ccc2c(c1)C(=O)CC=C(C(=O)O)N2 MOL5411
-Cc1ccc2c(c1)C(=O)CC=C(C(=O)O)N2 MOL5412
-COc1ccc(NC2=CC(C)(C(=O)O)OC2=O)cc1 MOL5413
-CC1=CC2C(O)(CC(CO)=CC3C4C(C)(C)C4(O)C(O)C(C)C32O)C1=O MOL5414
-Cc1noc2nccnc12 MOL5415
-COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC.O=C(O)CS(=O)(=O)O MOL5416
-COc1cc(C=Nc2cc(Cl)c(N=O)c(Cl)c2)ccc1N(CCCCl)CCCCl MOL5417
-Cc1ccc(S(=O)(=O)NC(CSSCC(NS(=O)(=O)c2ccc(C)cc2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 MOL5418
-COc1c2c(cc3c1OCO3)C13C=CC(OC)CC1N(C2)CC3O MOL5419
-CCN(CC)CCNC(=O)c1ccc(C)c(OCc2ccccc2)c1[N+](=O)[O-] MOL5420
-c1ccc2c(c1)C1CCC2c2ccccc21 MOL5421
-COc1ccc(N=CC=Cc2ccccc2)cc1 MOL5422
-C(=Nc1ccccc1)c1ccc(C=Nc2ccccc2)cc1 MOL5423
-N#CC(C=Cc1ccccc1)Nc1ccccc1 MOL5424
-N#CC(C=Cc1ccccc1)Nc1ccccc1N MOL5425
-C(=Cc1ccccc1)C=Nc1ccccc1 MOL5426
-COC(=O)C=Cc1ccc(Cl)cc1 MOL5427
-Oc1nc(CCc2ccccc2)nc2ccccc12 MOL5428
-CC1=Nc2ccccc2NC(C)(C)C1 MOL5429
-Clc1ccccc1C(=Nc1ccccc1)C(=Nc1ccccc1)c1ccccc1Cl MOL5430
-Nc1ccc([N+](=O)[O-])cc1N=CC=Cc1ccccc1 MOL5431
-N#CC1CC(c2ccccc2)Nc2cc(Cl)ccc2N1 MOL5432
-CC(C=Cc1ccccc1)=Nc1ccccc1 MOL5433
-C(=Cc1ccccc1)C=Nc1ccc(CCc2ccc(N=CC=Cc3ccccc3)cc2)cc1 MOL5434
-S=C1NC(c2ccccc2)Nc2ccccc21 MOL5435
-S=C1NC(C=Cc2ccccc2)Nc2ccccc21 MOL5436
-N#CC1CC(c2cccs2)Nc2ccccc2N1 MOL5437
-N#CC(C=Cc1ccccc1)Nc1ccccc1CO MOL5438
-c1ccc(CCC2=Nc3ccccc3CO2)cc1 MOL5439
-C=C1C(=O)OC2C=C(C)C3OC3C=C(C(=O)OC)C(O)C(OC(=O)C3(C)OC3C)C12 MOL5440
-COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1 MOL5441
-COc1ccc2c(c1)c1c(C)c3c[n+](C)ccc3c(C)c1n2C MOL5442
-COC(=O)c1cc(=O)nc2n1C1OC(CO)C(O)C1O2 MOL5443
-CN1C(=O)NC2ON=C(c3ccccc3)C2C1=O MOL5444
-NC(=O)NC1C(c2ccccc2)=NOC1C(N)=O MOL5445
-CNC(=O)NC1ON=C(c2ccccc2)C1C(=O)NC MOL5446
-C=C1C(=O)OC2C=C(C)CC3C=C(CCC=C(C)CCC12)C(=O)O3 MOL5447
-NC1=C(c2ccccc2)C(=O)c2ccccc21 MOL5448
-Oc1c[n+](C23CCC(c4ccccc42)c2ccccc23)no1 MOL5449
-COC(=O)C12C3=C(C(=NO)C=CC3=NO)C(c3ccccc31)c1ccccc12 MOL5450
-O=C(O)O MOL5451
-COC(=O)C1C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)C(O)C(C)C1O MOL5452
-O=C1CCC23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)OC3C1 MOL5453
-CN1CCC2(CC1)SSC1(CCN(C)CC1)S2 MOL5454
-CCCCCCCNC(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)NCCCCCCC)c1ccc(Cl)cc1 MOL5455
-C[Si](C)(C)N1N=NC2C(=O)N(c3ccccc3)C(=O)C21 MOL5456
-COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1NS(C)(=O)=O.CS(=O)(=O)O MOL5457
-COc1ccc(CCN2COc3ccc4ccc(=O)oc4c3C2)cc1OC MOL5458
-Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1Cl MOL5459
-Oc1nc2nc(O)nc3nc(O)nc(n1)-n-2-3 MOL5460
-CCCCCCC.CN1C(=O)CN=C(c2ccc[nH]2)c2cc(Cl)ccc21 MOL5461
-N#Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL5462
-CC(C(=O)O)S(=O)(=O)O.CCc1c2cc(OC)c(OC)cc2cc2c3cc(OC)c(OC)cc3cc[n+]12 MOL5463
-O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1 MOL5464
-NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O MOL5465
-c1ccc(C2=C(c3ccccc3)C23SCCS3)cc1 MOL5466
-NCC1OC(OC2C(N)CC(N)C(O)C2O)C(NC(=O)c2ccccc2)C(O)C1O MOL5467
-COc1cc(NC(=O)CC(C)=O)cc2c(C)cc(=O)n(C)c12 MOL5468
-Cc1cc(=O)n(C=CC(=O)O)c2ccccc12 MOL5469
-CCOC(=O)C=Cn1c(=O)cc(C)c2ccccc21 MOL5470
-CC(=O)OCc1cc(=O)n(C)c2c3c4c(cc12)c(C)cc(=O)n4CO3 MOL5471
-CN(C)N=Nc1ccc(S(N)(=O)=O)cc1 MOL5472
-COc1ccc(C(CC(=O)c2ccc3c(c2)OCO3)C(=O)O)cc1OC MOL5473
-O=c1ccn2c(n1)OC1C(O)C(CO)OC12 MOL5474
-CC(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 MOL5475
-COS(=O)(=O)OC1(SC)C=C(c2ccccc2)SS1 MOL5476
-CCCCCCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=O MOL5477
-O=S(OCC1COS(=O)O1)OCC1COS(=O)O1 MOL5478
-CCOC(=O)C(C=Nc1ccc(S(N)(=O)=O)cc1)C(=O)OCC MOL5479
-O=C(O)CN1C(=O)CN=C(c2ccccn2)c2cc(Cl)ccc21 MOL5480
-C1CN2CCC1C1(C2)SSC2(CN3CCC2CC3)S1.Cl MOL5481
-CCCCNCCC(SSSC(CCNCCCC)c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(=O)O MOL5482
-CCCCNC(C)(C)C(SSSC(c1ccco1)C(C)(C)NCCCC)c1ccco1 MOL5483
-CN(C)Cc1c[nH]c2c1SC(=Cc1ccccc1)C2=O MOL5484
-COc1ccc2c(c1O)C13CCN(C)C(C2)C1CCC1(C3)OCCO1 MOL5485
-COc1ccc2c3c1OC1C4(CCC5C(C2)N(CC2CC2)CCC351)OCCO4 MOL5486
-Cc1cscc(C)c1=S MOL5487
-Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL5488
-CC(=O)N1C(=O)C2(Nc3cccnc3N2)c2ccccc21 MOL5489
-COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O MOL5490
-O=c1ssc2ccccc12 MOL5491
-COc1cc(C=Cc2ccc3ccccc3n2)cc(OC)c1OC MOL5492
-COc1ccc(OC)c(C=Cc2ccc3ccccc3n2)c1 MOL5493
-COc1ccc(C=Cc2ccc3ccccc3n2)c(OC)c1 MOL5494
-C(=Cc1ccc2ccccc2n1)c1ccc2c(c1)OCO2 MOL5495
-c1ccc(P2CCc3[nH]c4ccccc4c3C2)cc1 MOL5496
-CCCCCCCCCCCCCCCC(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O MOL5497
-CCCCCCCCCCCCCCC(F)C(=O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O MOL5498
-CS(=O)(=O)c1cnnc2ccccc12 MOL5499
-COc1cnnc2ccccc12 MOL5500
-Cc1ccc(NC(=N)NC#N)cc1 MOL5501
-Cc1ccc(SSc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL5502
-O=c1oc2ccccc2c(O)c1C(c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1)c1c(O)c2ccccc2oc1=O MOL5503
-COC(=O)c1ccc(SSc2ccc(C(=O)OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL5504
-CCOC(=O)C(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5505
-N=C1NC2OC(CO)C(O)C2O1 MOL5506
-O=C(N=C1OC2C(OC(=O)c3ccccc3)C(COC(=O)c3ccccc3)OC2N1C(=O)c1ccccc1)c1ccccc1 MOL5507
-CCOC(=O)c1c(N)sc2c1CCCCC2 MOL5508
-CCOC(=O)CC(C(=O)OCC)S(=O)(=O)O MOL5509
-Cc1ccccc1SSc1ccccc1C MOL5510
-CC(C)(C)c1ccc(SSc2ccc(C(C)(C)C)cc2)cc1 MOL5511
-[O-][n+]1onc2ncccc21 MOL5512
-Cc1c([N+](=O)[O-])c(C)c(S(=O)(=O)c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-] MOL5513
-CCOC(=O)C(=O)CC1=CC=CC2=NC(=O)CCN12 MOL5514
-O=C1N=C2C=CC=CN2CC1O MOL5515
-CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 MOL5516
-CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)c([N+](=O)[O-])c1 MOL5517
-CC1=C(O)C(=O)C(c2c(C)cc(C)c(Br)c2C)=C(O)C1=O MOL5518
-COC(=O)C12N=NN(c3ccccc3)C1(C(=O)OC)C1CCC2C1 MOL5519
-O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccccc1 MOL5520
-Cc1nc(N)nc2c1CCC(=O)N2 MOL5521
-O=C1C(=Cc2ccc(Cl)c(Cl)c2)CCCC1=Cc1ccc(Cl)c(Cl)c1 MOL5522
-ON=C1CCCCC1=Cc1ccc(Cl)cc1 MOL5523
-CC(=O)OC1=NC(C)c2c1cc(OC(C)=O)nc2O MOL5524
-Cc1c(C#N)c2n(c1C)CCN2 MOL5525
-CCCCCC(C(O)C#N)C(O)(C(F)(F)F)C(F)(F)F MOL5526
-CNC(=S)Nc1ccc(OC)c2ccccc12 MOL5527
-CNC(=Nc1ccc(OC)c2ccccc12)SC MOL5528
-CC1(C)CC(C)(Br)C(Br)C(=O)C1C(O)(C(F)(F)F)C(F)(F)F MOL5529
-O=C(CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F MOL5530
-CCCC(=O)Nc1cc2c3c(c1)CCCN3CCC2 MOL5531
-O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1 MOL5532
-ON=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1 MOL5533
-CCOC(=O)C(C#N)=Cc1cc2c3c(c1)CCCN3CCC2 MOL5534
-Cc1nnc(NC2=NCCO2)s1 MOL5535
-NCCc1cc2c3c(c1)CCCN3CCC2 MOL5536
-O=S1(=O)N2CN3CN(C2)CN1C3 MOL5537
-CC(=O)N1c2ccccc2Sc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 MOL5538
-CN(C)c1ccc2nc(CC(O)(C(F)(F)F)C(F)(F)F)ccc2c1 MOL5539
-NC(=S)NN=Cc1cccc(CC(O)(C(F)(F)F)C(F)(F)F)n1 MOL5540
-CN(C)CCCNC(CC#N)CCC#N MOL5541
-Cc1ccc(S(=O)(=O)N(C)C)cc1NC1=NCCO1 MOL5542
-CN(C)c1cc2c3c(c1)CCCN3CCC2 MOL5543
-Nc1ccc2c(c1)C(=O)OC2(C(F)(F)F)C(F)(F)F MOL5544
-O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 MOL5545
-O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 MOL5546
-O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(-c2ccccc2)cc1 MOL5547
-COC(=O)NC1=Nc2ccccc2-c2ccccc2N1 MOL5548
-Cc1nc2[nH][nH]c(=N)c2nc1C MOL5549
-N=c1nc2n(cc1F)C1OC(CO)C(O)C1O2.O=CO MOL5550
-C1CCC2(CC1)SSC1(CCCCC1)S2 MOL5551
-Cc1ncc2c[n+]([O-])ccn12 MOL5552
-CCN(CC)CCN1C(=O)CN=C(c2ccccn2)c2cc(Cl)ccc21 MOL5553
-O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1CCO MOL5554
-O=[N+]([O-])CC1CCCCC1O MOL5555
-N#CCCC1C(=O)CCCC1=O MOL5556
-O=C1CCC2=C(CCCC2=O)N1 MOL5557
-CC1CC(C)(C)N=C(C(C)CC2CCCCC2)O1 MOL5558
-CCC(Cc1ccccc1)C1=NC(C)(C)CC(C)O1 MOL5559
-CCOC(=O)C(CCC1=NC(C)(C)CC(C)O1)C(=O)OCC MOL5560
-CCC1C(=O)OCc2ccccc21 MOL5561
-CC1CC(C)(C)N2CCC(C(=O)N3Cc4cc5ccccc5nc4C3)C2O1 MOL5562
-CC1CC(C)(C)N=C(CCCO)O1 MOL5563
-CC1(C)COC(Cc2ccccc2)=N1 MOL5564
-CC1(C)COC(c2ccc(CC(O)c3ccccc3)cc2)=N1 MOL5565
-CC1(C)COC(C2Cc3ccccc3C(O)(c3ccccc3)C2)=N1 MOL5566
-CC(C)COC(=N)c1ccccc1C1(O)CCCCC1 MOL5567
-OC1=C2CCCCCC2=[N+]2CCCCC2C1 MOL5568
-COc1cc2c(cc1OC)C1CC(=O)C3=C(CCCC3)N1CC2 MOL5569
-CC(=O)OC1C=CS(=O)(=O)C1 MOL5570
-NC1CS(=O)(=O)CC1O MOL5571
-CCC1OC2CS(=O)(=O)CC2O1 MOL5572
-S=c1cc(-c2ccccc2)ss1 MOL5573
-Cc1cc(O)c2c(c1O)C(=O)C13C(=C(O)C4C(O)C1C1C(O)C3C(O)=C3C(=O)c5c(O)cc(C)c(O)c5C(=O)C341)C2=O MOL5574
-CCOC(=O)CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5575
-c1ccc(C2=C(c3ccccc3)CSSC2)cc1 MOL5576
-O=S1CC(c2ccccc2)=C(c2ccccc2)CS1 MOL5577
-CN(C)C(=S)SN(C)C(=O)Nc1ccccc1 MOL5578
-FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(C3CC3)CC1)c1ccccc1S2 MOL5579
-COC(=O)C(CS)NC(=O)CNC(=O)c1ccccc1 MOL5580
-COC(=O)C(CSCc1ccccc1)NC(=O)CNC(=O)c1ccccc1 MOL5581
-NCCSSCC(N)C(=O)O MOL5582
-COC(=O)C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CNC(=O)c1ccccc1 MOL5583
-NC(CSS(=O)(=O)CC(N)C(=O)O)C(=O)O MOL5584
-CNCCSSCCN MOL5585
-COC(=O)C(N)CSCc1ccccc1 MOL5586
-NC(CSC=CC(=O)O)C(=O)O MOL5587
-O=C(O)C=CSCCCC(=O)O MOL5588
-O=C(O)C=CSCCCC(=O)O MOL5589
-O=C(O)C=CSCCC(=O)O MOL5590
-O=C(O)C=CSCCC(=O)O MOL5591
-COC(=O)CCSC=CC(=O)O MOL5592
-CCOC(=O)C=CSCCCC(=O)O MOL5593
-Cc1ccc(SC=CC(=O)Nc2ccccc2)cc1 MOL5594
-Cc1ccc(SC=CC(=O)Nc2ccccc2)cc1 MOL5595
-CNC(=O)ON=Cc1cccc(C=NOC(=O)NC)c1 MOL5596
-COc1cc(C(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC MOL5597
-C[N+]12CCCc3cc(CO)cc(c31)CCC2 MOL5598
-OC(CC(O)(C(F)(F)F)C(F)(F)F)c1cccs1 MOL5599
-O=C1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2CCC1C2 MOL5600
-O=C(NCCCl)Nc1ccccn1 MOL5601
-CC1(C)C(N2CCOCC2)CS1(=O)=O MOL5602
-Cc1cccc(NC(=O)NCCOC(=O)OCCNC(=O)Nc2cccc(C)c2C)c1C MOL5603
-OC(C(c1ccccc1)c1ccccn1)(C(F)(F)F)C(F)(F)F MOL5604
-COc1ccc(C(O)C(C)C(O)(C(F)(F)F)C(F)(F)F)cc1 MOL5605
-NC(=O)NN=C1CCN2CCCc3cccc1c32 MOL5606
-NC(=S)NN=Cc1cc2c3c(c1)CCCN3CCC2 MOL5607
-O=C(OCCNC(=O)N1CCOCC1)OCCNC(=O)N1CCOCC1 MOL5608
-COc1cc2c3c(c1)C(O)CC[N+]3(C)CCC2 MOL5609
-COc1cc2c3c(c1)C(=NN)CCN3CCC2 MOL5610
-NN=C1CCN2CCCc3cccc1c32 MOL5611
-N#CC(C#N)=C1CCN2CCCc3cccc1c32 MOL5612
-O=S1(=O)C2CCCCC2(N2CCOCC2)C1c1ccccc1 MOL5613
-CCCCCCCCCCCCC(=O)N1CCOCC1 MOL5614
-C=CCCCCCCCCC(=O)NC(C)C(C)(C)C MOL5615
-C=CCCCCCCCCC(=O)NC(C)COC MOL5616
-C=CCCCCCCCCC(=O)NCc1ccncc1 MOL5617
-C=CCCCCCCCCC(=O)NCC1CC1 MOL5618
-C=CCCCCCCCCC(=O)NCCN1CCOCC1 MOL5619
-C=CCCCCCCCCC(=O)NCc1nc2ccccc2[nH]1 MOL5620
-CC(C(=O)c1cc(O)c(O)cc1C(O)(C(F)(F)F)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F MOL5621
-N#CC(C#N)=CN1CCCCCC1 MOL5622
-CC(C)C1=CC2=CCC3C(C)(CN)CCCC3(C)C2CC1CCN MOL5623
-COc1ccc(C2CCc3cc4c(cc3C2=NOC(C)=O)OCO4)cc1OC MOL5624
-O=C1C2N=NNC2C(=O)N1c1ccccc1 MOL5625
-CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C13OC1C(=O)C1(CO1)C23C MOL5626
-O=Cc1ccc(C=C2C=Cc3ccccc32)cc1 MOL5627
-COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 MOL5628
-Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1 MOL5629
-O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL5630
-O=S(=O)(O)CCCCO MOL5631
-COc1ccc(C(C(N)=O)N2CCOCC2)cc1 MOL5632
-COc1ccc(C(C(N)=O)N2CCCC2)cc1 MOL5633
-O=Nc1cc(S(=O)(=O)O)c2ccccc2c1O MOL5634
-CC1CCC2CC(=O)NC(=O)CC12 MOL5635
-NC(=O)C(c1ccccc1)N1CCCC1 MOL5636
-CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 MOL5637
-COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1C(=O)C=CC(=O)C12 MOL5638
-NS(=O)(=O)c1ccc(NC(=O)C=CC(=O)O)cc1 MOL5639
-NC(C(=O)O)C1CC(Cl)=NO1 MOL5640
-Nc1ncnc(N)c1N=O MOL5641
-Cn1c2c(c(=O)n(C)c1=O)C(C(=O)O)CC(=O)N2 MOL5642
-COC(=O)c1cc(O)nc2c1c(=O)n(C)c(=O)n2C MOL5643
-CCCC1=Nn2c(n[nH]c2=S)NN1 MOL5644
-Oc1ccc2ccccc2c1C1=NN2C(=S)NNC2=NN1 MOL5645
-CCOc1cc(C2=NN3C(=S)NNC3=NN2)ccc1O MOL5646
-COc1ccc(C2=NN3C(=S)NNC3=NN2)cc1OC MOL5647
-Cc1ccc(C2=Nn3c(n[nH]c3=S)NN2)cc1 MOL5648
-COc1cc(OC)cc(C2=Nn3c(n[nH]c3=S)NN2)c1 MOL5649
-S=c1[nH]nc2n1N=C(c1ccccc1)NN2 MOL5650
-CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C MOL5651
-O=[N+]([O-])c1ccc(C2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2O)cc1 MOL5652
-COC(=O)CC1(C(=O)OC)Nc2cc(Cl)c(Cl)cc2S(=O)(=O)N1O MOL5653
-Cc1c2ccccc2c(CSCC(N)C(=O)O)c2ccccc12 MOL5654
-Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O MOL5655
-CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1.O=S(=O)(O)O MOL5656
-Cc1c(N=O)c(=O)n(-c2ccccc2)n1C MOL5657
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)c1ccccc1)CC3OC1CC(N)C(O)C(C)O1 MOL5658
-c1ccc(-c2nn3c(-c4ccccc4)nnc3o2)cc1 MOL5659
-Cc1cc(C)nc(NC(=O)Nc2ccccc2)c1 MOL5660
-C[n+]1ccccc1C=NO MOL5661
-CCOC(=O)c1c(NC(=O)CCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)sc(C)c1C MOL5662
-CCOC(=O)C1=C(O)c2c(sc(C)c2C)N(S(=O)(=O)c2ccc(C)cc2)CC1 MOL5663
-CCOC(=O)CCCN(c1[nH]c(C)c(C)c1C#N)S(=O)(=O)c1ccc(C)cc1 MOL5664
-Cc1c(C#N)c2nc(C(=O)c3ccc(Br)cc3)cc(-c3ccc(Br)cc3)n2c1C MOL5665
-Cc1c(C#N)c2n(c1C)CCCC(=O)N2 MOL5666
-Nn1nc2ccccc2n1 MOL5667
-COc1cccc(C=Cc2nccc3ccccc23)c1OC MOL5668
-COc1ccccc1C=c1[nH]c(=O)c(=Cc2ccccc2OC)[nH]c1=O MOL5669
-COc1cccc(C=Cc2nc3ccccc3nc2C=Cc2cccc(OC)c2OC)c1OC MOL5670
-COc1ccc(C=Cc2nc3ccccc3nc2C=Cc2ccc(OC)c(OC)c2)cc1OC MOL5671
-COc1cccc(C=Cc2cnc3ccccc3n2)c1OC MOL5672
-COc1ccc(C=Cc2cnc3ccccc3n2)cc1OC MOL5673
-C(=Cc1cnc2ccccc2n1)c1ccc2c(c1)OCO2 MOL5674
-COc1cccc(C=c2[nH]c(=O)c(=Cc3cccc(OC)c3OC)[nH]c2=O)c1OC MOL5675
-Cc1cc2c(cc1C)NC(=O)C(C)CN2 MOL5676
-O=C1C(I)=CC(=C(c2cc(I)c(O)c(I)c2)c2ccccc2C(=O)O)C=C1I MOL5677
-S=C(Nc1ccccc1)Nc1ccccc1S MOL5678
-CC(C)N1CSC(=S)N(Cc2ccccc2)C1 MOL5679
-CCC(=O)N(C)C(C)C(=O)OC1CC(=O)N(C)c2cc(cc(OC)c2Cl)CC(C)=CC=CC(OC)C2(O)CC(OC(=O)N2)C(C)C2OC12C MOL5680
-CCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5681
-CCCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5682
-CCCCCCCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5683
-CCCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5684
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5685
-C=CCCCCON=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5686
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NOCC=C(C)CCC=C(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5687
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)CC(=O)NN=Cc5c6c(O)c7c(O)c(C)c8c(c7c5O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N6)O8)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5688
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)C(CO)(c5ccccc5)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5689
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=O)c5ccc(N)cc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5690
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC(=N)N[N+](=O)[O-])c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5691
-COc1ccc(C2CCC(=O)CC2C(=O)O)cc1 MOL5692
-COc1ccc2c(c1)C(=O)C13CC(C(=O)N(C)C)C(OC(C)=O)(CCC21)C3 MOL5693
-COc1ccc(C2CCC(=O)CC2(O)C(=O)O)cc1 MOL5694
-COC(=O)C1(O)CC(=O)CCC1c1ccccc1 MOL5695
-O=C(O)C1CC2(CCC1c1ccccc1)SCCS2 MOL5696
-c1ccc(CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL5697
-COC(=O)C(CC1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C(=O)OC MOL5698
-COC(=O)C1CC2c3[nH]c4ccccc4c3CCN2C1 MOL5699
-COc1ccc2c(c1)CC1c3[nH]c4ccccc4c3CCN1C2 MOL5700
-COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1 MOL5701
-O=C1CCC2c3[nH]c4ccccc4c3CCN12 MOL5702
-COc1ccc2c(c1)CC1c3[nH]c4ccccc4c3CCN1C2 MOL5703
-OCC1CC2c3[nH]c4ccccc4c3CCN2C1 MOL5704
-Cn1c2c(c3ccccc31)C(=O)CC2(C)C MOL5705
-O=C(O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL5706
-c1ccc2c(CC[n+]3cccc(C4OCCO4)c3)c[nH]c2c1 MOL5707
-CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C MOL5708
-OCc1ccc[n+](CCc2c[nH]c3ccccc23)c1 MOL5709
-OCc1ccc2[n+](c1)CCc1c-2[nH]c2ccccc12 MOL5710
-OCC1=CCC2c3[nH]c4ccccc4c3CCN2C1 MOL5711
-C=C1C(=O)OC2C1C(OC(=O)C(=CC)COC(C)=O)CC1(CO1)C1C(OC(=O)C(=CC)CO)C=C(C)C21 MOL5712
-COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)C)C24 MOL5713
-Cc1cc(O)nc2c1C(=O)c1c(C)cc(=O)n(C)c1C2=O MOL5714
-Cc1ccc(S(=O)(=O)Nc2ccccc2SSc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 MOL5715
-O=C1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2N1 MOL5716
-Cl[Cu]Cl MOL5717
-CC(=O)c1cc(I)c(O)c2ncccc12 MOL5718
-NNS(=O)(=O)c1ccc(OCC(=O)O)cc1 MOL5719
-CCSC(=O)N1c2ccc(OC)cc2C=CC1C#N MOL5720
-CCOC(=O)CCCN(c1sc(C)c(-c2ccccc2)c1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1 MOL5721
-CCOC(=O)C1=C(O)c2c(sc(C)c2-c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)CC1 MOL5722
-CC1CCCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1 MOL5723
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5724
-CCCCCCCCN(CCCCCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5725
-C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c23)C1=O MOL5726
-O=P(NC12CC3CC(CC(C3)C1)C2)(N1CC1)N1CC1 MOL5727
-CC(C)(N)CO[P+]([O-])=NC12CC3CC(CC(C3)C1)C2 MOL5728
-CN(N)P(=O)(c1ccccc1)N(C)N MOL5729
-COc1cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc(OC)n1 MOL5730
-CCN(CC)CCNc1ccc(CO)c2oc3ccccc3c(=O)c12 MOL5731
-CCN(CC)CCNc1ccc(CO)c2oc3cc(Cl)ccc3c(=O)c12 MOL5732
-Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 MOL5733
-O=C(O)C=CC(=O)NCCCCCCNC(=O)C=CC(=O)O MOL5734
-O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O MOL5735
-CS(=O)(=O)OCCN1CCC2(CC1)SSC1(CCN(CCOS(C)(=O)=O)CC1)S2 MOL5736
-C=CCN1c2ccccc2Sc2cnccc21.O=C(O)C=CC(=O)O MOL5737
-c1ccc(-c2nnc3oc(-c4cccs4)nn23)cc1 MOL5738
-CN(C)c1nn2c(-c3ccccc3)nnc2s1 MOL5739
-N=c1nc2n(cc1F)C1OC(CO)C(O)C1O2 MOL5740
-CN(C)c1nn2c(-c3ccccc3)nnc2o1 MOL5741
-Cc1ccc(-c2nn3c(-c4ccccc4)nnc3o2)cc1 MOL5742
-CCCc1nn2c(-c3ccccc3)nnc2o1 MOL5743
-O=S(=O)(O)CCN(CCO)CCO MOL5744
-NC(=O)CNCCS(=O)(=O)O MOL5745
-CC(CS(=O)(=O)O)NC(CO)(CO)CO MOL5746
-COc1cc(C=Cc2nc3ccccc3nc2C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL5747
-COc1ccc(OC)c(C=Cc2cnnc3ccccc23)c1 MOL5748
-COc1cc2nc(CC(O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC MOL5749
-COc1cc2nc(C=Cc3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC MOL5750
-COc1cc2c(cc1OC)NC(=O)CC(=O)N2 MOL5751
-CC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)NN MOL5752
-COc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC MOL5753
-COc1cc2nc(C(O)C(O)c3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC MOL5754
-CC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1 MOL5755
-CCC1=C2C(=O)c3ccccc3C2=C(C)S(=O)(=O)O1 MOL5756
-CNC(=O)OCC1=CC(=O)C(OC)=CC1=O MOL5757
-CNC(=O)OCC1=CC(=O)C(C)=CC1=O MOL5758
-CNC(=O)OCC1=CC(=O)C=C(OC)C1=O MOL5759
-CCCCCCN(CCCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5760
-O=S1(=O)C2C=CCC1C(O)CC2 MOL5761
-Oc1on[n+](-c2ccccc2)c1-c1ccccc1 MOL5762
-O=C(c1ccccc1)C1CSS(=O)(=O)C1c1ccccc1 MOL5763
-O=C(c1ccccc1)C1C(C(=O)c2ccccc2)N1Cc1ccccc1 MOL5764
-O=C(c1ccccc1)C1C(C(=O)c2ccccc2)N1Cc1ccccc1 MOL5765
-O=c1oc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 MOL5766
-c1ccc(C2=c3ccccc3=NC(c3ccccc3)=c3ccccc3=N2)cc1 MOL5767
-CC1(Br)Cc2ccccc2C1=O MOL5768
-N#CC1CC(c2ccccc2)=NC1c1ccccc1 MOL5769
-CC1(C)N=C(c2ccccc2)C2(c3ccccc3)N1C2(C)C MOL5770
-C(=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 MOL5771
-CCOC(=O)C1(C(C)C)OC2CCCCCN2C1=O MOL5772
-CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C MOL5773
-CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 MOL5774
-O=C(O)C1OC(Oc2ccc3oc4ccccc4c(=O)c3c2)C(O)C(O)C1O MOL5775
-O=c1[nH]c(=O)n2n1CC(Br)C(Br)C2 MOL5776
-O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC=CC2C2CCC21 MOL5777
-N#CC1(C#N)C2C=CC(C3CCC=C32)C1(C#N)C#N MOL5778
-OCCN(CCO)CN(CO)c1nc(N(CO)CN(CCO)CCO)nc(N(CO)CN(CCO)CCO)n1 MOL5779
-COc1ccccc1C=CC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1 MOL5780
-CN1CN(c2ccccc2)C2(CCN(CCc3cc4ccccc4o3)CC2)C1=O MOL5781
-O=C1C=C(c2ccccc2)Sc2ccccc2N1 MOL5782
-CC(=O)NC(NNC(NC(C)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 MOL5783
-CN1C(CC(O)(c2ccccc2)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1 MOL5784
-CCC(=O)C(CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)(c1ccccc1)c1ccccc1 MOL5785
-O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(F)cc3)CC2)C(=O)N1 MOL5786
-CCC(c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 MOL5787
-CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccccc2)CC1 MOL5788
-CC(C)N1CNC(=O)C12CCN(CC1COc3ccccc3O1)CC2 MOL5789
-C=CCN1CCC(C(=O)CC)(c2ccccc2)CC1 MOL5790
-O=C(OCCN1CCSCC1)C(O)(c1ccccc1)c1ccccc1 MOL5791
-O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccccc1 MOL5792
-CCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CC1C MOL5793
-CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(N(CCCl)CCCl)cc1)NC(C)=O MOL5794
-O=C(NP(=O)(N1CC1)N1CC1)c1cc(I)ccc1I MOL5795
-C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C MOL5796
-O=C1OCCN1N1C(=O)CC2(CCCCC2)C1=O MOL5797
-O=C1OCCN1N1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O MOL5798
-O=C1CC2CCC(C1)N2CC1COc2ccccc2O1 MOL5799
-CN1CCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)CC1 MOL5800
-Nc1snc2ncccc12 MOL5801
-CC12CCC(O)CC1=CCC1C2CCC2(C)C1CC1=CC(C#N)C(=O)NC12O MOL5802
-Nc1nccc2c1ncn2C1OC(CO)C(O)C1O MOL5803
-COC(=O)C12C=CC(C1)n1c(=O)n(-c3ccccc3)c(=O)n12 MOL5804
-CC1=C2C(=C(CBr)OS1(=O)=O)C(=O)c1ccccc12 MOL5805
-COc1cc2cc[n+](C)c(Cc3ccccc3)c2cc1OC MOL5806
-Cc1cc[n+](CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 MOL5807
-COc1cc(C(=O)NN=CN(C)C)cc(OC)c1OC MOL5808
-CN(C)C=Nc1c(C#N)c(CC#N)nn1-c1ccccc1 MOL5809
-Cc1cc(NC(=O)NCC(Cl)=CCl)c2ccccc2n1 MOL5810
-COc1cc(C)c(O)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL5811
-COc1ccc(OC)c(CCc2cc(OC)ccc2OC)c1 MOL5812
-CN(C)C=C1C(=O)NC(=O)NC1=O MOL5813
-CN(C)C=C1C(=O)c2ccccc2C1=O MOL5814
-CC1(CC(O)(C(F)(F)F)C(F)(F)F)NC(=O)NC1=O MOL5815
-O=C(NCC=CBr)Nc1cnc2ccccc2c1 MOL5816
-BrC=C(Br)C[N+]12CN3CN(CN(C3)C1)C2 MOL5817
-ON=C(Cc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F MOL5818
-CC(C)(C)NC(=O)CCC(CC(=O)NC(C)(C)C)S(=O)(=O)O MOL5819
-N#CCCC(CC#N)S(=O)(=O)O MOL5820
-O=C(Nc1nc(Cl)nc(Cl)n1)N1CCOCC1 MOL5821
-O=C(O)c1c(F)c(F)c(S)c(F)c1F MOL5822
-Brc1ccc(N2N=NC3CN(c4ccccc4)CC32)cc1 MOL5823
-Brc1ccc(N2N=NC3CNCC32)cc1 MOL5824
-O=C(OC1(c2ccccc2)OC(=O)c2ccccc21)c1ccccc1C(=O)c1ccccc1 MOL5825
-NCCCN1c2ccccc2Sc2ccc(Cl)cc21 MOL5826
-Clc1ccc(NC2=NCCCS2)c2ccccc12 MOL5827
-CC(C)N(C=C(C#N)C#N)C(C)C MOL5828
-C=C(Br)CNC(=O)Nc1ccccn1 MOL5829
-O=C(CCC[n+]1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F MOL5830
-CN(C)CCC1(c2ccccc2)C=Cc2ccccc21 MOL5831
-CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1 MOL5832
-NCCc1ccc(O)c(O)c1 MOL5833
-CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)C=CC(=O)O MOL5834
-CC(CC1c2ccccc2CCc2ccccc21)CN(C)C MOL5835
-OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc32)CC1 MOL5836
-CC(Cc1ccccc1)NC(=O)CCNNC(=O)c1ccncc1 MOL5837
-O=[N+]([O-])c1ccc2nsnc2c1 MOL5838
-CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21 MOL5839
-CNCCOC(c1ccccc1)c1ccccc1C MOL5840
-Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O MOL5841
-CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 MOL5842
-CNCCC=C1c2ccccc2CCc2ccccc21 MOL5843
-CCN(CC)CCOC(=O)c1ccc(N)cc1 MOL5844
-CN(C)CCN1C(=O)CC(c2ccccc2)Sc2ccccc21 MOL5845
-Cn1nnn2c(-c3ccccc3)nnc12 MOL5846
-Cc1c2ccccc2c(CSCCC(N)C(=O)O)c2ccccc12 MOL5847
-CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 MOL5848
-COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC)C1OC MOL5849
-NC(=O)N1c2ccccc2C=Cc2ccccc21 MOL5850
-COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C MOL5851
-O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 MOL5852
-CC1NC(=O)COC1c1ccccc1 MOL5853
-FC(F)(F)c1ccc2c(c1)N(CCCNCCN1CCOCC1)c1ccccc1S2 MOL5854
-C=CCC(N)Cc1ccccc1 MOL5855
-COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2 MOL5856
-CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21 MOL5857
-O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1 MOL5858
-CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 MOL5859
-CN(C)CCC=C1c2ccccc2CCc2ccccc21 MOL5860
-CNCCCC1c2ccccc2C=Cc2ccccc21 MOL5861
-CCCC(Cc1ccccc1)N1CCCC1 MOL5862
-O=C1[OH+][Cu-4]234NC1CS[S+]2CC(N3)C(=O)[OH+]4 MOL5863
-COc1cc(CC2Cc3cccc(O)c(=O)c3C(=O)O2)cc(OC)c1OC MOL5864
-O=C1Cc2cccc(O)c(=O)c2C(=O)O1 MOL5865
-CCc1c(O)c2c(c(O)c1C(C)=O)C(=O)c1c(cc(O)c(C(=O)O)c1C(=O)O)C2=O MOL5866
-OC1C2CCN(CC2)C1CNC12CC3CC(CC(C3)C1)C2 MOL5867
-CN(C)c1ccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 MOL5868
-O=C1C2CCN(CC2)C1CNC1(c2ccccc2)CCCCC1 MOL5869
-O=C1C2CCN(CC2)C1Cn1cnc2c(Cl)ncnc21 MOL5870
-CN(C)CC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 MOL5871
-COc1cc(CC2C(O)C3CCN2CC3)cc(OC)c1OC MOL5872
-CN(C)CC1C(O)C2CCN1CC2 MOL5873
-O=C(OC1C2CCN(CC2)C1CN1CC=C(c2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1 MOL5874
-CN1CCN(Cc2nc3cccc4c3c([n+]2[O-])-c2ccccc2-4)CC1 MOL5875
-CN(C)c1ccc(N=Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 MOL5876
-Cc1cc2c(c(=O)o1)C(=O)CC(C)O2 MOL5877
-CC(=O)C1c2ccccc2C(C(C)=O)(c2ccccc2)C1c1ccccc1 MOL5878
-CNc1nc(N)nc(O)c1N=O MOL5879
-Cc1cc(-n2c(C)ccc2C)no1 MOL5880
-Cc1cc(C)cc(OCC2CNC(=O)O2)c1 MOL5881
-CN(C)C1=NC(=O)C(c2ccccc2)O1 MOL5882
-O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 MOL5883
-O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 MOL5884
-O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 MOL5885
-CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 MOL5886
-O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 MOL5887
-O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 MOL5888
-c1ccc(C2CN3CCSC3=N2)cc1 MOL5889
-CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 MOL5890
-O=P(OCc1ccccc1)(c1ccccc1)c1ccccc1 MOL5891
-CCCCN(CCCC)P(=S)(OCC)OCC MOL5892
-CCCCCSP(=S)(C(C)C)C(C)C MOL5893
-CC(C)P(=S)(OCc1ccccc1)C(C)C MOL5894
-CC(C)(C)C1COP(=O)(C(C)(C)C)OC1.CC(C)(C)C1COP(=O)(C(C)(C)C)OC1 MOL5895
-CC(C)(C)P1(=O)OCC(c2ccccc2)CO1.CC(C)(C)P1(=O)OCC(c2ccccc2)CO1 MOL5896
-CC(C)(C)C1COP(C)(=S)OC1.CC(C)(C)C1COP(C)(=S)OC1 MOL5897
-CC(C)(C)C1COP(=S)(C(C)(C)C)OC1.CC(C)(C)C1COP(=S)(C(C)(C)C)OC1 MOL5898
-CC(C)(C)C1COP(=S)(c2ccccc2)OC1 MOL5899
-CC(C)(C)C1COP(=S)(c2ccccc2)OC1 MOL5900
-COP1(=S)OCC(C(C)(C)C)CO1.COP1(=S)OCC(C(C)(C)C)CO1 MOL5901
-CC(C)(C)C1COP(=O)(OCc2ccccc2)OC1 MOL5902
-CCOP(=S)(OCC)SC(C)(C)C MOL5903
-CCN(CC)S(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 MOL5904
-CCOc1ccc(C2(C)OC(=O)C3CCCCC32)c2ccccc12 MOL5905
-COc1ccc(C2OC(=O)c3ccccc32)c2ccccc12 MOL5906
-CC1CCCC(=NNC(N)=O)C12CC2 MOL5907
-C=C1CCCC(=NNC(N)=O)C12CC2 MOL5908
-CC1(c2ccccc2)OC(=O)c2c1ccc1ccccc21 MOL5909
-COc1ccc(C2(C)OC(=O)c3ccccc32)c2ccccc12 MOL5910
-CC(=O)OC1(c2ccccc2)OC(=O)C(C)(C)c2ccccc21 MOL5911
-CCOC(=O)CCCN(C(=O)c1ccccc1)c1scc(-c2ccccc2)c1C(=O)OCC MOL5912
-CCOC(=O)C1CCN(C(=O)c2ccccc2)c2scc(-c3ccccc3)c2C1=O MOL5913
-CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)csc1N MOL5914
-CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)csc1NC(=O)c1ccccc1 MOL5915
-O=C1NC2(CCCCC2)C(=O)N1CCN(CCCl)CCCl MOL5916
-CCCCNC(=O)OCC(C)(CCC)COC(N)=O MOL5917
-CN(C)CCC=C1c2ccccc2CSc2ccccc21 MOL5918
-N=S(=O)(c1ccccc1)c1ccccc1 MOL5919
-CN1CCN(NCCN2CCCC(OC(=O)C(O)(c3ccccc3)c3ccccc3)C2)CC1 MOL5920
-CN(C)CCC=C1c2ccccc2CN(C)c2ccccc21 MOL5921
-Clc1ccc2sc3c(c2c1)CCNC3 MOL5922
-O=C1c2ccccc2C(=O)N1CC(Cl)=CCl MOL5923
-N#CC(C#N)=CN1CCCC1 MOL5924
-O=C(NCCCC1C2CCC(C2)C1CNC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 MOL5925
-Cn1c(CC(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc21 MOL5926
-C=C(Br)CNC(=O)NCCN1CCOCC1 MOL5927
-NC(=S)NN=C1COC(C(F)(F)F)(C(F)(F)F)C1 MOL5928
-CCCCC(c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F MOL5929
-O=C1OC(=O)c2c1ccc1ccc(Cl)cc21 MOL5930
-CCOC(=O)CC1(c2ccccc2)OC(=O)c2ccccc21 MOL5931
-CCOC(=O)Cn1c(=O)c(-c2ccccc2NC(C)=O)nc2ccccc21 MOL5932
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5933
-C[N+]12CN3CN(C1)S(=O)(=O)N(C3)C2 MOL5934
-c1cc(C[N+]23CN4CN(CN(C4)C2)C3)cs1 MOL5935
-CCC1(CCC#N)CCc2[nH]c3ccccc3c2C1=O MOL5936
-CCC1(CCC#N)CCC(N)=CC1=O MOL5937
-[O-][Cl+3]([O-])([O-])O.c1ccc(-c2csc3n4ccccc4c[n+]23)cc1 MOL5938
-CC(C)(C)N1OC2(CCCCC2)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1 MOL5939
-COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL5940
-NC(=O)NN=C1CCC(CC2CCCCC2)CC1 MOL5941
-N#CC12C(=N)CCC1C1CC2C2C3C=CC(C3)C12 MOL5942
-FC1(F)SC2C3CCC(C3)C2C1(F)F MOL5943
-ClC=CC[N+]12CN3CN(CN(C3)C1)C2 MOL5944
-O=C(NCC(Br)=CBr)Nc1cccc2ccccc12 MOL5945
-CN(C)C=NNC(=O)C(O)(c1ccccc1)c1ccccc1 MOL5946
-O=C(NCC(Br)=CBr)Nc1cnc2ccccc2c1 MOL5947
-CCCCCCCCCCNC(C)=O MOL5948
-O=C(O[Bi](c1ccccc1)c1ccccc1)C(F)(F)F MOL5949
-CN1OC(C#N)(C#N)C(C#N)(C#N)C1c1ccccc1 MOL5950
-Cc1nn2c(=O)[nH]cnc2c1Cl MOL5951
-O=C(O)c1cnn2c(=S)[nH]cnc12 MOL5952
-O=C(c1ccccc1)C1(c2ccccc2)SSC1(C(=O)c1ccccc1)c1ccccc1 MOL5953
-COC(=O)C1ON(C(=O)c2ccccc2)C(C)C2OC12 MOL5954
-CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1N=O MOL5955
-CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 MOL5956
-CN(C)CC1C(OC(=O)C(O)(c2ccccc2)C2CCCC2)C2CCN1CC2 MOL5957
-CCN(CC)Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL5958
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cccc(C(F)(F)F)c6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL5959
-CN(C)CC1C2C=CC(C3CC23)C1CN(C)C MOL5960
-CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)C2c1ccccc1 MOL5961
-CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)CCl MOL5962
-CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)CCl MOL5963
-S=C1SC2(CCCCCC2)NC2=C1CCCCC2 MOL5964
-O=C(O)C1C[N+]12C=CC=CC2=O MOL5965
-O=S(=O)(O)SCc1ccccc1CSS(=O)(=O)O MOL5966
-CC(C(=O)O)=C(C)c1ccccc1.CC(C(=O)O)=C(C)c1ccccc1 MOL5967
-C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CCC(=O)CCC(C)CC=CC3C1O MOL5968
-NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)CC3N)C2O)C(N)C(O)C1OC1OC(CO)C(O)C(O)C1O.O=S(=O)(O)O MOL5969
-CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c2ccccc12 MOL5970
-CCNC(=N)SCCS(=O)(=O)O MOL5971
-C[Sn](C)(Cl)Cl.Oc1ccccc1C=NCCN=Cc1ccccc1O MOL5972
-N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 MOL5973
-N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 MOL5974
-N#CC(=Cc1ccc(-c2ccccc2)cc1)c1ccccc1 MOL5975
-COc1ccc(OC)c(C=C(C#N)c2ccc([N+](=O)[O-])cc2)c1 MOL5976
-CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2)c(Cl)c1 MOL5977
-COc1cc(C=C(C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1 MOL5978
-N#CC(=Cc1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 MOL5979
-CC(=O)OC1CCC2(COS(=O)(=O)c3ccc(C)cc3)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 MOL5980
-COC1=NS(=O)(=O)C2(O1)c1ccccc1-c1ccccc12 MOL5981
-COC1=NS(=O)(=O)C2CCCCCCC2O1 MOL5982
-COC1=NS(=O)(=O)C(C)C(C)(C)O1 MOL5983
-CC1C(N2CCCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 MOL5984
-CCOC1OC(c2ccccc2)=NS(=O)(=O)C1(C)C MOL5985
-CCC(C(=O)OC)C1CCN(C)C(=O)C12CO2 MOL5986
-CC(c1ccccc1O)C1CCCCC1N=O MOL5987
-CN(C)C12CCCCC1S(=O)(=O)C2 MOL5988
-COC(=O)N1C=NC2C3(C)C(C)=C(C)C3(C)C21C MOL5989
-CC1C(=O)C2C1CS2(=O)=O MOL5990
-O=C1NC2CC=CCC12 MOL5991
-O=C1NC23CC=CCC12CCC3 MOL5992
-O=C1NC2c3ccccc3CCC12 MOL5993
-COC(=O)C(C)S(=O)(=O)O MOL5994
-CCOC(=O)C(C)S(=O)(=O)O MOL5995
-O=C1NC23CC=CCC12CCCCCC3 MOL5996
-O=C1N(c2ccccc2)SN2C3C=CC(C4CC43)N12 MOL5997
-COC(=O)C1=C2c3ccccc3NC(=O)N2NC1C(=O)OC MOL5998
-Cc1ccc(C2NC(=O)N3C(c4ccc(C)cc4)NC(=O)N23)cc1 MOL5999
-Cc1ccc(C2NC(=S)N3C(c4ccc(C)cc4)NC(=S)N23)cc1 MOL6000
-Cc1cccc(C2NC(=O)N3C(c4cccc(C)c4)NC(=O)N23)c1 MOL6001
-Cc1cccc(C2NC(=S)N3C(c4cccc(C)c4)NC(=S)N23)c1 MOL6002
-S=C1NC(c2ccc(Cl)cc2)N2C(=S)NC(c3ccc(Cl)cc3)N12 MOL6003
-O=C1NC(c2cccc(Cl)c2)N2C(=O)NC(c3cccc(Cl)c3)N12 MOL6004
-O=C1NC(c2ccco2)N2C(=O)NC(c3ccco3)N12 MOL6005
-S=C1NC(c2ccco2)N2C(=S)NC(c3ccco3)N12 MOL6006
-O=C1NC(c2cccs2)N2C(=O)NC(c3cccs3)N12 MOL6007
-S=C1NC(c2cccs2)N2C(=S)NC(c3cccs3)N12 MOL6008
-COc1cccc(C2NC(=O)N3C(c4cccc(OC)c4)NC(=O)N23)c1 MOL6009
-COc1cccc(C2NC(=S)N3C(c4cccc(OC)c4)NC(=S)N23)c1 MOL6010
-COc1ccc(C2NC(=O)N3C(c4ccc(OC)cc4)NC(=O)N23)cc1 MOL6011
-COc1ccc(C2NC(=O)N3C(c4ccc(OC)c(OC)c4)NC(=O)N23)cc1OC MOL6012
-COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC MOL6013
-O=C1CCCN(Cc2ccccc2)C(=O)N1 MOL6014
-CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C MOL6015
-Nc1ncnc2[nH]c(CO)nc12 MOL6016
-NN=C(C=C1C(=O)Nc2ccccc21)c1ccccc1 MOL6017
-O=C(C=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCc1ccccc1 MOL6018
-COc1ccc(C=CC(=O)Oc2cc(O)cc(O)c2)cc1 MOL6019
-CCOC(=O)c1cnn2c(SC)ncnc12 MOL6020
-CC1=NCC(C)NC(C)(C)CC(C)=NCCNC(C)(C)C1.F[B-](F)(F)F MOL6021
-CC1=NC(C)CNC(C)(C)CC(C)=NC(C)CNC(C)(C)C1.[O-][Cl+3]([O-])([O-])O MOL6022
-CC1NCCNCCNCCNC(C)c2cccc1n2 MOL6023
-C[SH](C)(=O)CCCS(=O)(=O)O MOL6024
-C[S+](C)CCS(=O)(=O)O MOL6025
-C[S+](C)c1ccccc1.[O-][Cl+3]([O-])([O-])O MOL6026
-O=C(O)C=CC(=O)NNC(=O)C=CC(=O)O MOL6027
-Cc1ccc(S(=O)(=O)SS(=O)(=O)c2ccc(C)cc2)cc1 MOL6028
-CCOC(=O)CN1C(=O)Cc2ccccc21 MOL6029
-Cl[Sn](Cl)(C12C3=C4C5=C1[Fe]45321678C2=C1C6C7=C28)C12C3=C4C5=C1[Fe]45321678C2=C1C6C7=C28 MOL6030
-N#CC(=Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 MOL6031
-N#CC(=Cc1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1 MOL6032
-CC(=O)Nc1ccc(C=C(C#N)c2ccc(C)cc2)cc1 MOL6033
-N#CC(=Cc1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 MOL6034
-Cc1ccc(-n2c(=S)[nH]c3ccc(C)cc3c2=O)cc1 MOL6035
-N#CC(=Cc1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 MOL6036
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)cccc3nc2-1 MOL6037
-O=C(NC(=S)Nc1ccccn1)c1ccccc1 MOL6038
-C=C1CC(c2ccc(S(=O)(=O)N3CCOCC3)cc2)OC1=O MOL6039
-C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21 MOL6040
-CN(C)c1ccc(C=C2C=Cc3ccccc32)c(F)c1 MOL6041
-C(=Cc1nc2ccccc2o1)c1ccc2c(c1)OCO2 MOL6042
-CS(=O)(=O)c1ccc(C=C2C=Cc3ccccc32)cc1 MOL6043
-COc1cc2nc(CCc3nc4cc(OC)c(OC)cc4[nH]3)[nH]c2cc1OC MOL6044
-c1ccc(C(c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL6045
-CC(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6046
-NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O MOL6047
-c1ccc(C2CN3CCSC3=N2)cc1 MOL6048
-C[N+]1(C)N=C(c2ccccc2)C=C1O MOL6049
-N=C(N)NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 MOL6050
-CCCCN(CCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL6051
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6052
-CCCCCN(CCCCC)N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL6053
-C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Co-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C MOL6054
-CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC MOL6055
-CCOC1(OCC)CC2C(=O)CCCC21OC(C)=O MOL6056
-O=C1CC23CCC12CCCC3=O MOL6057
-COC1(OC)CC2C(=O)CCCC21OC MOL6058
-COC1(OC)CC2C(=O)CCCC21OC(C)=O MOL6059
-CC=C1CC2C(OC)Nc3cc(O)c(OC)cc3C(=O)N2C1 MOL6060
-COc1ccc(-c2c(C)c(C)nc(O)c2C(=O)O)c(OCc2ccccc2)c1OC MOL6061
-O=[N+]([O-])O MOL6062
-O=[N+]([O-])O MOL6063
-Cl[Ho](Cl)Cl MOL6064
-O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1 MOL6065
-O=C(CBr)N1CCC2(CC1)SSC1(CCN(C(=O)CBr)CC1)S2 MOL6066
-Cc1ccc(S(=O)(=O)OC2CCN(C)CC2)cc1 MOL6067
-N=C1NC2=NC(=O)C(=O)N2N1 MOL6068
-O=C1N=C2NC=NN2C1=O MOL6069
-O=C(c1ccccc1)C(Nc1nc2[nH]c(-c3ccccc3)c(-c3ccccc3)n2n1)c1ccccc1 MOL6070
-CC(O)(c1ccncc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 MOL6071
-COc1ccc(C(C)(O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 MOL6072
-COCn1c(C(=O)c2ccc(OC)cc2)cc2ccccc21 MOL6073
-COCn1c2ccccc2c2nc(-c3ccncc3)nc(-c3ccncc3)c21 MOL6074
-CCC12C=CCN3CCC4(c5cc(C(c6ccc(OC)cc6)c6cc7ccccc7n6S(=O)(=O)c6ccccc6)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32 MOL6075
-CCOC(=O)c1c(C)c2c(n1C)CCc1c[nH]nc1-2 MOL6076
-CC(=O)OCC1OC(OC2=C(c3ccccc3)C(=O)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)=C(c3ccccc3)C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL6077
-O=C1C(O)=C(c2ccccc2C(=O)O)C(=O)C(O)=C1c1ccccc1C(=O)O MOL6078
-O=CC(NC(=O)N(CCCl)N=O)C(O)C(O)C(O)CO MOL6079
-CN(C)CCC(=O)C=Cc1ccccc1 MOL6080
-O=C1c2ccccc2CC1(Br)C(Br)c1ccccc1 MOL6081
-CC(C)=CCCC(O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C MOL6082
-CC(C)(O)CCCC1CCC2C3CCC4CCCCC4(C)C3CCC2(C)C1O MOL6083
-CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)(C)O)C1 MOL6084
-CC12CCCCC1CC(=O)C(=CO)C2 MOL6085
-O=C(O)c1ccccc1S(=O)O MOL6086
-CN1Cc2ccccc2C=Cc2ccccc21 MOL6087
-CCC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6088
-CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O MOL6089
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5nc6c(N)ncnc6n5C5OC(CO)C(O)C5O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6090
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5cnc6c(ncn6C6OC(CO)C(O)C6O)c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6091
-On1ccccc1=S MOL6092
-Clc1ccc2c(c1)Sc1ccc(Cl)cc1S2 MOL6093
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCCCCCCCCCCCCC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6094
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CC(Cc6ccccc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6095
-Clc1nn2nnnc2c2ccccc12 MOL6096
-CNC(C)(C)C(SSSC(c1ccc(Cl)cc1)C(C)(C)NC)c1ccc(Cl)cc1 MOL6097
-Cc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2 MOL6098
-CC1CCCC(C)[N+]1=C(Nc1cccc(Cl)c1)c1ccccc1 MOL6099
-Clc1cccc(NC(c2ccccc2)=[N+]2CCCCC2)c1 MOL6100
-COc1cc(OC)c(OC)cc1C=Cc1cc[n+](C)c2ccccc12 MOL6101
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3OC1CC(N)C(O)C(C)O1 MOL6102
-C=C1CCOC2(C(O)C(C)(O)CO)NC(=O)C1(O)NC2=O MOL6103
-CC1(C)CC(=O)CC(C)(C)ON1 MOL6104
-C1=[N+]2CC[N+]3=Cc4ccccc4O[Co-3]23([n+]2ccccc2)Oc2ccccc21 MOL6105
-CC1=[N+]2CCCN3CCN4CCC[N+](=C1C)[Ni-2]342.[O-][Cl+3]([O-])([O-])O MOL6106
-Br[Ni-4]12(Br)(NCCN1)NCCN2 MOL6107
-CN(C)P(=O)(c1ccccc1)c1ccccc1 MOL6108
-C1CN[Ni-4]23(N1)(NCCN2)NCCN3.[O-][Cl+3]([O-])([O-])O MOL6109
-NCCCNCCNCCCN MOL6110
-CC1=[N+]2CCN3C(C)(C)CC(C)=[N+]4CCN(C(C)(C)C1)[Ni-2]324.F[B-](F)(F)F MOL6111
-CC(=O)C1C=[N+]2CC[N+]3=CC(C(C)=O)C(C)=[O+][Ni-2]23[O+]=C1C MOL6112
-CC(=O)C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1 MOL6113
-CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL6114
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)c5ncnc6c5ncn6C5OC(CO)C(O)C5O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6115
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6116
-CCO.CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccccc1)CN2 MOL6117
-CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)=CCC3N)C2O)OCC1(C)O.O=S(=O)(O)O MOL6118
-CCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCC)=C(N2CC2)C1=O MOL6119
-CCCC[Sn]1(CCCC)SCCN1S(=O)(=O)c1ccc(C)cc1 MOL6120
-Cn1c2ccccc2c2nn3cnnc3nc21 MOL6121
-Cn1c2ccccc2c2nnc(S)nc21 MOL6122
-Cn1c2ccccc2c2nnc(SCCN3CCOCC3)nc21 MOL6123
-Cn1c2ccccc2c2nnc(NCCCO)nc21 MOL6124
-Cn1c2ccccc2c2nnc(NCCCCO)nc21 MOL6125
-CCn1c2ccccc2c2nnc(NCCCO)nc21 MOL6126
-CC(O)CCNc1nnc2c3ccccc3n(C)c2n1 MOL6127
-CCCC[Sn](Cl)(CCCC)SC(=S)NCCNC(=S)S[Sn](Cl)(CCCC)CCCC MOL6128
-COc1ccc(-c2c(C)c(C)nc(Cl)c2C#N)c(OCc2ccccc2)c1OC MOL6129
-COc1ccc(-c2c(C#N)cnc(C)c2C)c(O)c1OC MOL6130
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(Cl)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6131
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C#N)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6132
-COc1ccc(CN2CC(C)N(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)C(C)C2)cc1 MOL6133
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6134
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNc5nc6c(N)ncnc6n5C5OC(CO)C(O)C5O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6135
-COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 MOL6136
-O=c1cc(-c2cccs2)ss1 MOL6137
-CCCCNC(C)(C)C(SSSC(C)=O)c1ccco1 MOL6138
-Cc1cc(-c2ccccc2)[s+]s1 MOL6139
-S=c1cc(-c2ccccc2)ss1 MOL6140
-Cc1cc(C)[s+]s1 MOL6141
-O=C(O)C1CCSS1 MOL6142
-CCOC(=O)CN1CCC2CC1c1c([nH]c3ccccc13)C21OCCO1 MOL6143
-NN=C1c2ccccc2-c2nc3c(N)nnc(N)c3nc21 MOL6144
-Cc1c(CC#N)cc(C)c2c3c([nH]c12)-c1ccccc1CC3 MOL6145
-CC1(O)Cn2c(nc3nccnc32)S1 MOL6146
-O=Cc1c[nH]c2nccnc12 MOL6147
-CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21 MOL6148
-CC(=O)OCCn1c([N+](=O)[O-])cnc1C=[N+]([O-])CCO MOL6149
-CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1ccccc1 MOL6150
-CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccc1 MOL6151
-O=C1CCCC2=C1C(c1ccncc1)Nc1ccccc1N2 MOL6152
-CC1(C)CCC2=C(C1)Nc1ccc(Cl)cc1NC2c1ccc([N+](=O)[O-])cc1 MOL6153
-CC1(C)CC(=O)C2C(C1)Nc1ccccc1NC2c1ccccc1[N+](=O)[O-] MOL6154
-CC1(C)CC(=O)C2C(C1)Nc1ccccc1NC2c1cccc([N+](=O)[O-])c1 MOL6155
-COc1ccc(C2Nc3ccccc3NC3CC(C)(C)CC(=O)C32)cc1 MOL6156
-CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc([N+](=O)[O-])cc1 MOL6157
-CC1(C)CC(=O)C2=C(C1)Nc1ccc(Cl)cc1NC2c1cccc([N+](=O)[O-])c1 MOL6158
-COc1ccc(C2Nc3cc(Cl)ccc3NC3=C2C(=O)CC(C)(C)C3)cc1 MOL6159
-CCC(=O)NC1Cc2cc(C)cc(C)c21 MOL6160
-Cc1cc(C)c2c(c1)CC2NC(=O)Cc1ccccc1 MOL6161
-Cc1cc(C)c2c(c1)CC2N MOL6162
-CCCC(=O)NC1Cc2cc(C)cc(C)c21 MOL6163
-O=[N+]([O-])c1cc(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c2)ccc1Cl MOL6164
-COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2 MOL6165
-CC(C)=CCCC1(C)C=Cc2c(c(C)cc3c2[nH]c2ccccc23)O1 MOL6166
-COc1ccccc1N1CCCSC1=Nc1ccccc1 MOL6167
-CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 MOL6168
-N=C(CSS(=O)(=O)O)NC1CC2CCC1C2 MOL6169
-N=C(CSS(=O)(=O)O)NCCSc1ccc(Cl)cc1 MOL6170
-CC(C)(C)C1CCC(NC(=N)CSS(=O)(=O)O)CC1 MOL6171
-N=C(CSS(=O)(=O)O)NCCCc1ccccc1 MOL6172
-CC(C)NC(=N)CSS(=O)(=O)O MOL6173
-N=C(CSS(=O)(=O)O)NCc1ccccc1 MOL6174
-N=C(CSS(=O)(=O)O)NCCCCOc1ccccc1 MOL6175
-N=C(CSS(=O)(=O)O)NCC12CC3CC(CC(C3)C1)C2 MOL6176
-N=C(CSS(=O)(=O)O)NCCCc1nc2ccccc2[nH]1 MOL6177
-CCNC(=N)C(C)SS(=O)(=O)O MOL6178
-O=S(=O)(O)SCC1=NCCN1 MOL6179
-N=C(CSS(=O)(=O)O)NCCc1ccccn1 MOL6180
-CN(C)C(=N)CSS(=O)(=O)O MOL6181
-Cc1ccc(CNC(=N)CSS(=O)(=O)O)cc1C MOL6182
-N=C(CSS(=O)(=O)O)NCCc1c[nH]c(=S)[nH]1 MOL6183
-N=C(CSS(=O)(=O)O)NCCc1ccc(O)cc1 MOL6184
-CC1(C)C2CCC1(C)C(NC(=N)CSS(=O)(=O)O)C2 MOL6185
-Cn1c(CCNC(=N)CSS(=O)(=O)O)nc2ccccc21 MOL6186
-O=S(=O)(O)SCNCNCCSCc1ccccc1 MOL6187
-N=C(CSS(=O)(=O)O)NC1CC1 MOL6188
-N=C(CSS(=O)(=O)O)NCCCCc1ccccc1 MOL6189
-CC(SS(=O)(=O)O)C(=N)NCc1ccccc1 MOL6190
-N=C(CSS(=O)(=O)O)NCCc1ccccc1 MOL6191
-CCNC(=N)CSS(=O)(=O)O MOL6192
-N=C(CCSS(=O)(=O)O)NCC(c1ccccc1)c1ccccc1 MOL6193
-N=C(CSS(=O)(=O)O)NCCCOCc1ccccc1 MOL6194
-NC(=S)NCC12CC3CC(CC(C3)C1)C2 MOL6195
-C=C1C(=O)OC2C1C(OC(=O)C(C)=CCOC(C)=O)CC1(CO1)C1C(O)C3OC3(C)C21 MOL6196
-Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 MOL6197
-CCCC[Sn]1(CCCC)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1 MOL6198
-NNc1c(C(N)=O)c2c(N)ncnc2n1C1OC(CO)C(O)C1O MOL6199
-COC(=O)C1C(O)C(C)C(O)C(C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1OC(C)=O MOL6200
-COC(=O)C1C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)(O)C(O)C(C)C1O MOL6201
-COC(=O)C1C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=CC(C)C(O)C(C)C1O MOL6202
-O=C1COc2ccc(F)cc2N1 MOL6203
-O=S(=O)(O)CCC(O)S(=O)(=O)O MOL6204
-CCC(=O)ON[N+](=O)[O-] MOL6205
-CCN(CC)C(=O)SCCSC(=O)N(CC)CC MOL6206
-O=C1c2ccccc2C(=O)N1N1C(=O)C2C3CCC(O3)C2C1=O MOL6207
-O=C1C2C3CCC(O3)C2C(=O)N1N1C(=O)C2C3CCC(O3)C2C1=O MOL6208
-CCCCCCCCCCCC[N+](CCCCCCCCCCCC)=C1SCCS1 MOL6209
-C1CSC(=[N+]2CC[N+](=C3SCCS3)CC2)S1 MOL6210
-CC1=CC(C(=O)O)P(C)(=O)C1 MOL6211
-COC(=O)C12C(=CCP1(C)=O)C(c1ccccc1)=NN2c1ccccc1 MOL6212
-COC1=C(C(=O)O)P(C)(=O)CC1 MOL6213
-CCNCC.O=C1C2CCCC1C1C(=[N+]([O-])[O-])C=C([N+](=O)[O-])C2C1[N+](=O)[O-] MOL6214
-Cl[Pd-2]1(Cl)NCC[N+]12CC2 MOL6215
-CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)OC3(C)C1C2C MOL6216
-CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)OC(=O)CC32)C1 MOL6217
-CC[Ge]1(CC)CCC2(CCN(CCCN(C)C)C2)CC1 MOL6218
-C[PH]1(c2ccccc2)CCC(N)=C(C#N)C1 MOL6219
-CSc1ncnc2c1C[PH](Cc1ccccc1)(c1ccccc1)CC2 MOL6220
-CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1[N+](=O)[O-] MOL6221
-CCOC(=O)c1[nH]c2c(OC)n[n+]([O-])cc2c1Br MOL6222
-CCOC(=O)C(=O)c1c([N+](=O)[O-])[nH]c2c(OC)n[n+]([O-])cc12 MOL6223
-COc1cc(N=CNc2cc(OC)n[n+]([O-])c2)c[n+]([O-])n1 MOL6224
-Cc1cc2cc3n(c2nn1)N=C(Cl)CC3 MOL6225
-Cn1nccc2c(=O)n(C)c(=O)nc1-2 MOL6226
-O=C(O)C1SCCCS1 MOL6227
-CCCCC1(C(=O)OCC)SCCCS1 MOL6228
-CCOC(=O)C1(Cc2ccccc2)SCCCS1 MOL6229
-CC1(C)C2CCC1(C)C(NC(=N)CSS(=O)(=O)O)C2 MOL6230
-O=c1[nH]c2nc(SCc3ccccc3)n(Cc3ccccc3)c2c(=O)n1OS(=O)(=O)c1ccccc1 MOL6231
-CSc1nc2c(n1-c1ccccc1)C(=O)C(OS(=O)(=O)c1ccccc1)C(=O)N2 MOL6232
-N=C(CSSCC(=N)NC1CCCCC1)NC1CCCCC1 MOL6233
-CC12CC3CC(C)(C1)CC(CNC(=N)CS)(C3)C2 MOL6234
-CCCCCCCCCNC(=N)CSSCC(=N)NCCCCCCCCC MOL6235
-N=C(N)SC12CC3CC(CC(C3)C1)C2 MOL6236
-NCCSC12CC3CC(CC(C3)C1)C2 MOL6237
-CC12CC3CC(C)(C1)CC(SC(=N)N)(C3)C2 MOL6238
-N=C(CS)NCC1C2CC3CC(C2)CC1C3 MOL6239
-N=C(CSSCC(=N)NCCCCCSC12CC3CC(CC(C3)C1)C2)NCCCCCSC12CC3CC(CC(C3)C1)C2.O=S(=O)(O)O MOL6240
-CC12CC3CC(C)(C1)CC(SCCCCCNC(=N)CSSCC(=N)NCCCCCSC14CC5CC(C)(CC(C)(C5)C1)C4)(C3)C2.O=S(=O)(O)O MOL6241
-CC(C)(C)OP(=O)(S)OC(C)(C)C.CCN MOL6242
-CC(CNC(=N)CSS(=O)(=O)O)OC12CC3CC(CC(C3)C1)C2 MOL6243
-CC12CC3CC(C)(C1)CC(SCCN)(C3)C2 MOL6244
-N=C(CSP(=O)(O)O)NCC12CC3CC(CC(C3)C1)C2 MOL6245
-CC(CN)OC12CC3CC(CC(C3)C1)C2 MOL6246
-NC1(CSS(=O)(=O)O)CCN1 MOL6247
-N=C(CSS(=O)(=O)O)NCc1cccs1 MOL6248
-CC(SC(=N)N)C(=N)N MOL6249
-Cn1cccnc1=O MOL6250
-CCCc1cc(O)nc(SCC(=O)O)n1 MOL6251
-CCn1ccc(=O)nc1 MOL6252
-S=C1NC=CC(S)N1 MOL6253
-CC1=CC(S)NC(=S)N1 MOL6254
-CCOC(=O)c1nc(SC)n(C)c1C(=O)OCC MOL6255
-COc1ccc2c(O)c(C)c(=O)n(C)c2c1 MOL6256
-Cc1c(O)c2ccc(Cl)cc2n(C)c1=O MOL6257
-Cc1c(O)nc2ccccc2c1O MOL6258
-Cc1c(O)c2ccccc2n(C)c1=O MOL6259
-O=c1[nH]c2cccnc2c(=O)n1O MOL6260
-CCCCN1C(=O)N(c2ccc(OCC)cc2)C2N(CCCC)C1C(C)(C)C2(C)C MOL6261
-Cn1cc(C=O)c2nccnc21 MOL6262
-N=C(CSSCC(=N)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 MOL6263
-CCCCCCCCCCNC(=N)CSSCC(=N)NCCCCCCCCCC MOL6264
-CCCCCCCNC(=N)CSSCC(=N)NCCCCCCC MOL6265
-N=C(CSS(=O)(=O)O)NCC1CC2CCC1C2 MOL6266
-N=C(CSS(=O)(=O)O)NC1CCCCC1 MOL6267
-N=C(CSS(=O)(=O)O)NCCCC1CCCCC1 MOL6268
-N=C(CSS(=O)(=O)O)NCCCCC1CCCCC1 MOL6269
-N=C(CSS(=O)(=O)O)NCC1CCCCC1 MOL6270
-CN(C)CCCNC(=N)CSP(=O)(O)O MOL6271
-Cn1c2ccccc2[n+]2c(N)scc12 MOL6272
-Nc1scc2[nH]c3ccccc3[n+]12 MOL6273
-NCC1=NCCN1 MOL6274
-N=C(CSS(=O)(=O)O)NCCCCNC(=N)CSS(=O)(=O)O MOL6275
-CC1(C)C2CCC(CNC(=N)CSS(=O)(=O)O)C1C2 MOL6276
-CCOC(=N)CNC(=O)c1ccccc1 MOL6277
-N=C(CS)NCCc1nc2ccccc2[nH]1 MOL6278
-N=C(CS)NC1CCCCC1 MOL6279
-N=C(CN1CCCCC1)N1CCCCC1 MOL6280
-N=C(CS)NCc1ccccc1 MOL6281
-CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1 MOL6282
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5C6CC7CC(C6)CC5C7)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6283
-Clc1ccc(-c2cc[s+]s2)cc1.O=S(=O)(O)O MOL6284
-O=[N+]([O-])c1ccc(C(Cl)S(=O)(=O)c2ccccc2)cc1 MOL6285
-O=S(=O)(c1ccccc1)C(Br)c1ccccc1 MOL6286
-O=S(=O)(Cc1ccccc1)C(I)c1ccccc1 MOL6287
-Cc1ccc(CS(=O)C(Cl)(Cl)c2ccc(C)cc2)cc1 MOL6288
-N#CC(Sc1ccccc1)c1ccccc1 MOL6289
-N#Cc1cccc(C(Br)S(=O)(=O)c2ccccc2)c1 MOL6290
-O=S(=O)(c1ccccc1)C(Cl)c1cccc(Cl)c1 MOL6291
-O=S(CC=CCS(=O)c1ccccc1)c1ccccc1 MOL6292
-C(=CCSc1ccccc1)CSc1ccccc1 MOL6293
-O=C1NC2C3CC(c4ccccc43)C12 MOL6294
-COc1cc(OC)c(C=Cc2ccc3ccccc3[n+]2[O-])c(OC)c1 MOL6295
-CCCCOP(=O)(C=Cc1ccccn1)OCCCC MOL6296
-COc1ccc2c(n1)Sc1c(Cl)nc(N)nc1N2 MOL6297
-Nc1ncnc2c1Sc1nc(Cl)ccc1N2 MOL6298
-COc1ccc(Nc2cc(N)nc(N)n2)c(S)n1 MOL6299
-Nc1cc(Nc2ccc(Cl)nc2S)nc(N)n1 MOL6300
-CCCCOC(=O)C1OC12CCCCC2 MOL6301
-CCCOC(=O)C1OC12CCCCC2 MOL6302
-COC(=O)C1OC12CCCCC2 MOL6303
-CCOC(=O)C1OC12CCC(C(C)(C)C)CC2 MOL6304
-O=[N+]([O-])c1cccc2[nH][s+]nc12 MOL6305
-Nc1ncnc2[nH]c(C3OC(CO)C(O)C3O)nc12 MOL6306
-CCOC(=O)NNP(=O)(NNC(=O)OCC)c1ccccc1 MOL6307
-O=c1c2[nH]c3cccc(Cl)c3c2cnn1-c1ccc(F)cc1 MOL6308
-CCCC[N+](CCCC)=c1cc(-c2ccc(Cl)cc2)ss1.[O-][Cl+3]([O-])([O-])O MOL6309
-O=C(CSc1cc(-c2ccc(Cl)cc2)s[s+]1)c1ccccc1 MOL6310
-CSc1cc(-c2ccc(Cl)cc2)s[s+]1 MOL6311
-CCOC(=O)c1c(NC(=O)CCl)ssc1=S MOL6312
-CCOC(=O)c1c(N)ssc1=S MOL6313
-COc1cc(C(=O)NCCS(=O)(=O)O)cc(OC)c1OC MOL6314
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C56CC7CC(CC(C7)C5)C6)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6315
-CCCCCCCCN(N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4)C12CC3CC(CC(C3)C1)C2 MOL6316
-CC1=Nc2ccccc2NC(C)(C)C1 MOL6317
-O=c1[nH]c2ccccc2c(=O)n1CCCN1CCN(c2cccc(Cl)c2)CC1 MOL6318
-CCn1cc(C(=O)O)c(=O)c2cccc(OC)c21 MOL6319
-CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(C(N)=O)OC(n2ccc(=N)[nH]c2=O)C(O)C1O MOL6320
-CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCCC(C)C(O)C(=O)OCC2(CC1)C4(C)C31CO1 MOL6321
-COc1cc2c(c(OC)c1OC)CCc1cnoc1-2 MOL6322
-CCOC(=O)c1cnc2oc(C=NN3CC(CN4CCOCC4)OC3=O)cc2c1O MOL6323
-CN1C(=O)C(C)(C)C(=O)c2ccccc21 MOL6324
-CN1CC(C)(C)C(=O)c2ccccc21 MOL6325
-CN1CC(C)(C)C(O)c2ccccc21 MOL6326
-CCC12C=CCN3CCC4(c5cc(C(c6ccccn6)c6cc7ccccc7n6C)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32 MOL6327
-CCOP1(=O)OCC(C(C)(C)C)CO1 MOL6328
-O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2 MOL6329
-O=C1C2CCCC3CCCC(C(=O)N1NC1CCCCC1)C32 MOL6330
-N#CC(=Cc1cc(Cl)ccc1O)C1CCC([N+](=O)[O-])CC1 MOL6331
-CC(=O)ON1C(=O)c2cccc3cccc(c23)C1=O MOL6332
-COc1cc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)ccc1O MOL6333
-Cc1ccc(C(C#N)=Cc2ccc3c(c2)OCO3)cc1 MOL6334
-O=C1C2CCCC3CCCC(C(=O)N1O)C32 MOL6335
-COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1OC MOL6336
-COc1ccc(Nc2ccc3c4c(cccc24)C(=O)N(c2ccc(OC)cc2)C3=O)cc1 MOL6337
-COc1ccc(CCN2C(=O)c3cccc4c(Sc5ccccc5[N+](=O)[O-])ccc(c34)C2=O)cc1OC MOL6338
-COc1ccc(CCN2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1 MOL6339
-N#Cc1c(N=Cc2cc(Cl)cc(Cl)c2O)sc2c1CCC2 MOL6340
-N#Cc1c(N=Cc2ccccc2Cl)sc2c1CCC2 MOL6341
-CCOc1ccc(C=C(C#N)c2cccc(Cl)c2)cc1 MOL6342
-N#CC(=Cc1cccc2ccccc12)c1ccc(Cl)cc1 MOL6343
-CCOC(=O)c1ccc(NC(=S)Nc2ncccc2C)cc1 MOL6344
-Cc1cccnc1NC(=S)Nc1ccccc1Cl MOL6345
-Cc1cccnc1NC(=S)Nc1cccc(C(F)(F)F)c1 MOL6346
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1C(Cc1ccccc1)c1ccccc1 MOL6347
-O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCCCN1C(=O)c2cccc3cccc(c23)C1=O MOL6348
-Cc1ccc(C(C#N)=Cc2cccc([N+](=O)[O-])c2)cc1 MOL6349
-O=C1c2cccc3cccc(c23)C(=O)N1C(Cc1ccccc1)c1ccccc1 MOL6350
-O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCc1ccccn1 MOL6351
-CC(O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL6352
-COc1ccc(C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] MOL6353
-CCc1ccc(C(C#N)=Cc2cccc3ccccc23)cc1 MOL6354
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCc1ccccn1 MOL6355
-CCc1ccc(C(C#N)=Cc2ccccc2Cl)cc1 MOL6356
-CC12CCC(c3sc(N)c(C#N)c31)C2(C)C MOL6357
-Cc1ccc2c(c1)Nc1ccccc1C(=O)N2 MOL6358
-COc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1 MOL6359
-CN(CCC#N)c1ccc(C=C(C#N)c2ccc(Br)cc2)cc1 MOL6360
-CCc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1 MOL6361
-CC(=O)Nc1ccc(C(C#N)=Cc2ccc(N(C)CCC#N)cc2)cc1 MOL6362
-CN(CCC#N)c1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1 MOL6363
-O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CC1CCCO1 MOL6364
-O=C1c2cccc3cccc(c23)C(=O)N1NCCO MOL6365
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1cccnc1 MOL6366
-O=C1c2cccc3cccc(c23)C(=O)N1CC1CCCO1 MOL6367
-O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1NCCO MOL6368
-CCc1ccc(C(C#N)=Cc2ccc(OC)cc2)cc1 MOL6369
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN(CCO)CCO MOL6370
-CCOC(=O)NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O MOL6371
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccccc1 MOL6372
-CC(CO)(CO)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL6373
-COc1ccc2c(c1)N(C)CCCC2=O MOL6374
-O=[N+]([O-])c1c(Cl)ccc2nsnc12 MOL6375
-O=C(Nc1ccccc1)N1CCC2N(C(=O)Nc3ccccc3)CCC3N(C(=O)Nc4ccccc4)CCC1N23 MOL6376
-N=C1SCCS1 MOL6377
-CCCCOP(=O)(C=Cc1ccc([N+](=O)[O-])cc1)OCCCC MOL6378
-Cc1ccc2nsnc2c1[N+](=O)[O-] MOL6379
-Clc1ccc(SSc2ccc(Cl)cc2Cl)c(Cl)c1 MOL6380
-ClC1c2ccccc2-c2nsnc2C1Cl MOL6381
-O=C(Nc1ccc(Cl)cc1)Nc1cccc2nsnc12 MOL6382
-O=Nc1ccc(Cl)cc1 MOL6383
-CN1C(=O)CCSC1=S MOL6384
-N#CNC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1 MOL6385
-CCCCN.N#CNC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1 MOL6386
-CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6387
-c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL6388
-O=[N+]([O-])c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL6389
-N=C(N)NCCCC(N)C(=O)O MOL6390
-CC(=O)NC(CSSCC(NC(C)=O)C(=O)O)C(=O)O MOL6391
-COc1ccc(Cl)cc1NC(=O)Nc1cc(C)ccn1 MOL6392
-CCOC(=O)c1ccc(NC(=O)Nc2cc(C)ccn2)cc1 MOL6393
-CCc1ccccc1NC(=O)Nc1cc(C)ccn1 MOL6394
-Cc1cccc(NC(=O)Nc2cccc(Cl)c2Cl)n1 MOL6395
-Cc1ccnc(NC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1 MOL6396
-Cc1cccc(NC(=O)Nc2ccccc2)n1 MOL6397
-Cc1cccc(NC(=O)Nc2ccccc2Cl)n1 MOL6398
-Cc1ccnc(NC(=O)Nc2ccccc2Cl)c1 MOL6399
-Cc1ccnc(NC(=O)NC2CCCCC2)c1 MOL6400
-CC(C)(C)NC(=O)Nc1ccccn1 MOL6401
-O=C(Nc1ccccn1)NC1CCCCC1 MOL6402
-O=C1Nc2cccc3c2N(CCC3)C2=C1CCC2 MOL6403
-O=C1C=C(C23CC4CC(CC(C4)C2)C3)N2CCCc3cccc(c32)N1 MOL6404
-O=C1C=C(C23CC4CC(CC(C4)C2)C3)Nc2ccccc2N1 MOL6405
-COc1ccc(C=C2N=C(C=Cc3ccccc3)OC2=O)cc1OC MOL6406
-COC(=O)C=Cc1c[nH]c2nccnc12 MOL6407
-CN(C)P1(=O)N(c2ccccc2)P(=O)(N(C)C)N1c1ccccc1 MOL6408
-CS(=O)(=O)NOCCCCONS(C)(=O)=O MOL6409
-NC(=[Se])c1ncn(C2OC(CO)C(O)C2O)c1N MOL6410
-Cc1ccnc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 MOL6411
-CSc1ccc(NC(=O)Nc2cccc(C)n2)cc1 MOL6412
-CSc1ccc(NC(=O)Nc2cc(C)cc(C)n2)cc1 MOL6413
-Cn1ccnc1Oc1ccc(Cl)cc1 MOL6414
-NC(Cc1csc2ccccc12)C(=O)O MOL6415
-O=C(O)N1CCc2c(sc3ccccc23)C1 MOL6416
-Oc1cccc(C(O)CNC2CCCCC2)c1 MOL6417
-CC(=O)OC1C[N+]2(CCc3ccccc3)CCC1CC2 MOL6418
-NC(CC1=CS(=O)(=O)c2ccc(Cl)cc21)C(=O)O MOL6419
-N=C1NN(c2ccc(Br)cc2)C2C=CC=CN12 MOL6420
-FC(F)(F)c1cccc(N2NC(=S)N3C=CC=CC32)c1 MOL6421
-Clc1ccc(-c2cc(N3CCN(c4cc(-c5ccc(Cl)cc5)[s+]s4)CC3)s[s+]2)cc1.[O-][Cl+3]([O-])([O-])O MOL6422
-O=C(O)CSc1cc(-c2ccc(Cl)cc2)[s+]s1 MOL6423
-CCCCn1c(=N)[nH][nH]c1=S MOL6424
-CNC(=O)N(C1CCCCC1)C1CCCCC1 MOL6425
-CNC(=O)OCCOc1ccccc1 MOL6426
-Cc1ccc(NC2=NCCS2)c(C)c1 MOL6427
-CCOC(=O)c1c(N)[nH]c(SSc2[nH]c(N)c(C(=O)OCC)c2C(=O)OCC)c1C(=O)OCC MOL6428
-CCOC(=O)c1c(NC(=O)C(F)(F)F)[nH]c(SSc2[nH]c(NC(=O)C(F)(F)F)c(C(=O)OCC)c2C(=O)OCC)c1C(=O)OCC MOL6429
-CNC1=N[N+]2=CCSCC2(C)S1 MOL6430
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CC(C)(C)N(Cc6ccccc6)CC5(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6431
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NNC5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6432
-COc1cccc(CN2CC(C)N(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)C(C)C2)c1 MOL6433
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C5OC(COC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5OC(=O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6434
-NC(=O)NN=C1CSSC1 MOL6435
-NC(=S)NN=C1CSSC1 MOL6436
-O=C(CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccccc1 MOL6437
-COc1ccc(C(CC(=O)c2ccc3c(c2)OCO3)c2c(O)c3ccccc3oc2=O)cc1OC MOL6438
-COc1ccc(C(=O)CC(c2ccc3c(c2)OCO3)c2c(O)c3ccccc3oc2=O)cc1OC MOL6439
-O=c1oc2ccccc2c(O)c1C(CC(=NO)c1ccccc1)c1ccccc1 MOL6440
-COc1ccc(C(=O)CC(c2ccc(OC)c(OC)c2)c2c(O)c3ccccc3oc2=O)cc1OC MOL6441
-COc1ccc(OC)c(-c2csc(=O)s2)c1 MOL6442
-COc1ccc2c(c1)CSC(c1ccccc1)C2=O MOL6443
-O=c1scc(-c2ccc(C(F)(F)F)cc2)s1 MOL6444
-O=c1scc(-c2ccc([N+](=O)[O-])cc2)s1 MOL6445
-CCOC(=O)CNC(=O)N(CC)C12CC3CC(CC(C3)C1)C2 MOL6446
-CCOC(=O)C(C)NC(=O)N(C)C12CC3CC(CC(C3)C1)C2 MOL6447
-CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 MOL6448
-COc1ccc(NC(S)=C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)cc1 MOL6449
-COc1ccc(-c2sc(N=Cc3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC MOL6450
-Cc1ccc(C(=O)C(=C(S)Nc2cccc(C)c2)[n+]2ccccc2)cc1 MOL6451
-CCN(C(=O)c1ccccc1C)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 MOL6452
-COc1ccc(-c2sc(N=Cc3cc(OC)c(OC)c(OC)c3)c(C#N)c2C)cc1OC MOL6453
-Clc1ccccc1C=NCC1CCC(CN=Cc2ccccc2Cl)CC1 MOL6454
-S=C(NCCc1ccccc1)N1CCC(CCCC2CCN(C(=S)NCCc3ccccc3)CC2)CC1 MOL6455
-Cc1c(-c2ccccc2)sc(N)c1C#N MOL6456
-O=C1CC(c2ccccc2)NN1c1ccccc1 MOL6457
-COc1ccc(-c2sc(N)c(C#N)c2C)cc1OC MOL6458
-COc1ccc(-c2sc(N=Cc3cc(Br)cc(Br)c3O)c(C#N)c2C)cc1OC MOL6459
-COc1cccc(C=NN=Cc2cccc(OC)c2O)c1O MOL6460
-Cc1c(-c2ccccc2)sc(N=Cc2cc(Br)cc(Br)c2O)c1C#N MOL6461
-COc1cc(C=NN=CC=Cc2ccccc2)cc(OC)c1OC MOL6462
-CCC(C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 MOL6463
-COc1ccc(OC)c(C(Nc2ccc3cn[nH]c3c2)P(=O)(c2ccccc2)c2ccccc2)c1 MOL6464
-C(#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6465
-O=C1c2ccccc2C2NCCCN12 MOL6466
-COc1cccc2c1OC1(N3CCOCC3)CCCCC1C2C[N+](=O)[O-] MOL6467
-O=C(C=Cc1cccc2ccccc12)c1ccccc1[N+](=O)[O-] MOL6468
-COc1ccc(-c2sc(N=Cc3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC MOL6469
-S=C1SCN(C(c2ccccc2)c2ccccc2)CN1C(c1ccccc1)c1ccccc1 MOL6470
-O=C(c1ccccc1[N+](=O)[O-])C(Br)C(Br)c1ccc(Cl)c(Cl)c1 MOL6471
-S=c1[nH]c2ccccc2o1 MOL6472
-COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 MOL6473
-COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(O)c(OC)cc4c2C(C3)N(C)CC4)cc1OC MOL6474
-C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)C(=O)C(C)CC=CC3C1O MOL6475
-CN1c2ccc(Cl)cc2C2(C(=O)NN)C(C(=O)NN)N(C3CCCCC3)C(=O)C12N MOL6476
-N#Cc1cccc(N(C(=O)c2ccccc2)c2ccccc2)n1 MOL6477
-CCC1OC(=O)C(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C)C(O)C(C)(O)CC(C)C(=O)C(C)C(O)C1C MOL6478
-CC(=O)CSc1sc(C(C)=O)c(N)c1C#N MOL6479
-Nc1ccccc1SC(CC(=O)c1ccccc1)c1ccc2c(c1)OCO2 MOL6480
-S=C1SCN(C2CCCCCCCCCCC2)CN1C1CCCCCCCCCCC1 MOL6481
-NS(=O)(=O)c1ccc(N=Cc2ccccc2O)cc1 MOL6482
-COc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)cc1 MOL6483
-S=C1NCCO1 MOL6484
-COc1cccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c1 MOL6485
-COc1ccc(C(C)=NN=Cc2cc(OC)c(OC)c(OC)c2)cc1 MOL6486
-CC(=O)NS(=O)(=O)c1ccc(N=Cc2ccc3c(c2)OCO3)cc1 MOL6487
-Cc1cccc(C)c1NC(=S)NNC(=O)NNC(=S)Nc1c(C)cccc1C MOL6488
-N#CC1=C(N)CCC(C#N)(c2ccccc2)C1 MOL6489
-Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1 MOL6490
-CC(c1ccccc1)N1C(=O)CSC1=S MOL6491
-COc1ccc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc1Br MOL6492
-CN(C)c1ccc(C=Nc2ccc(S(N)(=O)=O)cc2)cc1 MOL6493
-CC(=O)NS(=O)(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 MOL6494
-Oc1nc(S)nc(SCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n1 MOL6495
-O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Cl)cc1 MOL6496
-O=c1c2ccccc2[nH]c(=S)n1-c1cccc(C(F)(F)F)c1 MOL6497
-COc1cccc(NC(S)=C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)c1 MOL6498
-COc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)c(O)c1 MOL6499
-S=C(NN=Cc1cccc2ccccc12)Nc1c(Cl)cccc1Cl MOL6500
-S=c1[nH]nc(Nc2ccc(Cl)cc2)s1 MOL6501
-CC(C)c1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)=C(S)Nc2cccc(Cl)c2)cc1 MOL6502
-Cc1ccc(C(=O)C(=C(S)Nc2ccccc2)[n+]2ccccc2)cc1 MOL6503
-COc1ccc(OC)c(NC(=S)NN=Cc2cccc3ccccc23)c1 MOL6504
-NS(=O)(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2O)cc1 MOL6505
-COc1cccc(N2C(=O)CC(Sc3ccccc3N)C2=O)c1 MOL6506
-Cc1ccc(C(=O)C(=C(S)Nc2cccc(C(F)(F)F)c2)[n+]2ccccc2)cc1 MOL6507
-Cc1ccc(C(=O)C(=C(S)Nc2cccc(Cl)c2)[n+]2ccccc2)cc1 MOL6508
-O=c1oc(-c2ccccc2NS(=O)(=O)c2ccccc2)nc2cc(Cl)ccc12 MOL6509
-Cc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc(C(C)C)cc2)c(C)c1 MOL6510
-Cc1ccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c(C)c1 MOL6511
-O=S(=O)(F)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl MOL6512
-O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2)cc1 MOL6513
-Cc1nc(N)nc(N)c1CCCc1ccccc1 MOL6514
-Clc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6515
-O=S(=O)(C=NN=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1 MOL6516
-COC1OC2COC(c3ccccc3)OC2C2NC(=N)N([N+](=O)[O-])C12OS(C)(=O)=O MOL6517
-Nc1nc(N)c(CCCc2ccccc2)c(N)n1 MOL6518
-COC1OC2COc3ccccc3OC2C2NC(=N)SC12 MOL6519
-COC1OC2COc3ccccc3OC2C2C1N2C(N)=O MOL6520
-COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCCOc1ccc([N+](=O)[O-])cc1 MOL6521
-COC1OC2COc3ccccc3OC2C(NC#N)C1OC MOL6522
-COC1OC2COc3ccccc3OC2C(NC(N)=S)C1OC MOL6523
-CC(=O)Nc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6524
-Nc1ncc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(N)n1 MOL6525
-Cc1nc(N)nc(N)c1CCCCc1ccc(N)cc1.O=S(=O)(O)O MOL6526
-COc1cccc(NC(S)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1 MOL6527
-COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)c(OC)c1OC MOL6528
-OCC(Oc1ccccc1)C(O)C(O)C(CO)Oc1ccccc1 MOL6529
-Oc1c(Br)cc(Br)cc1C=CNC(=S)NC1CC2CC1C1C=CCC21 MOL6530
-O=C(O)C=CC(=O)Nc1ccccc1-n1cccc1 MOL6531
-O=C1CSC(=S)N1Cc1ccncc1 MOL6532
-O=C(NN=Cc1ccco1)c1cccnc1 MOL6533
-O=C1CSC(=S)N1c1ccc2c(c1)OCO2 MOL6534
-COc1ccc(C(Nc2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 MOL6535
-Clc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)c2c1 MOL6536
-Clc1ccc(Cl)c(-c2csc(-c3cccnc3)n2)c1 MOL6537
-O=C(NN=Cc1cccc2ccccc12)c1cccnc1 MOL6538
-C=COCCC(C(=O)OCC)C(=O)OCC MOL6539
-CCOC(=O)C(CCc1ccccn1)C(C)=O MOL6540
-COc1cc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC MOL6541
-CCOC(=O)C(Cc1ccccc1[N+](=O)[O-])C(=O)OCC MOL6542
-CC(C)c1oc(=O)cc2c1C(O)C1OC(=O)C3(C)C(O)C4OC4C2(C)C13 MOL6543
-C=C1CC[N+]2(CC(C)C)CCCC12 MOL6544
-CCC[N+]12CC=C(CO)C1C(O)CC2 MOL6545
-O=C(C[N+]12CC=C(CO)C1C(O)CC2)c1ccc(Br)cc1 MOL6546
-O=C(C[N+]12CCC(O)C1C(CO)CC2)c1ccc(Br)cc1 MOL6547
-CC1(C)NC(=N)NC(=N)N1c1cccc(C=C(C#N)c2ccccc2)c1 MOL6548
-Nc1ncnc2nc(-c3ccc(C[PH](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)[nH]c12 MOL6549
-O=S(=O)(F)c1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6550
-O=C(COc1ccc(Cl)cc1)c1ccccc1 MOL6551
-Nc1nc(N)c(CCCCc2ccccc2)c(C=Cc2ccc([N+](=O)[O-])cc2)n1 MOL6552
-O=C1c2ccccc2C(=O)N1CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6553
-O=C(NCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1 MOL6554
-O=[N+]([O-])c1ccc(OCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1 MOL6555
-Nc1nc(N)c(CCCCc2ccccc2)c(C=O)n1 MOL6556
-O=S(=O)(F)c1ccc(Cl)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6557
-O=S(=O)(F)c1cccc(Cl)c1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6558
-Nc1nc(N)c(CCCCc2ccc([N+](=O)[O-])cc2)c(N)n1 MOL6559
-N#CC(=Cc1cccc(N)c1)c1ccccc1 MOL6560
-COc1ccccc1CN1CC(C)N(N=Cc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)C(C)C1 MOL6561
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CC(C)N(Cc6ccccc6)C(C)C5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6562
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(O)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6563
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CC(C)N(C(=O)c6ccccc6)C(C)C5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6564
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(C)C(C)C(O)c5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6565
-NC1(C(=O)O)CSSC1 MOL6566
-COc1ccc(Cl)cc1NC(=O)c1ccco1 MOL6567
-O=C(Cc1ccc(Cl)cc1)NC(NC(=O)Cc1ccc(Cl)cc1)C(Cl)(Cl)Cl MOL6568
-COc1ccc(C)cc1NC(=O)C(Br)C(Br)C(=O)O MOL6569
-O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 MOL6570
-O=C(C=Cc1ccccc1)NC(=S)NCc1ccco1 MOL6571
-O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1cc([N+](=O)[O-])ccc1F MOL6572
-Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC1C MOL6573
-Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1onc(C)c1C MOL6574
-COc1ccc(OC)c(NC(=O)Nc2nccs2)c1 MOL6575
-COc1ccc(NC(=O)Nc2onc(C)c2C)c(Cl)c1 MOL6576
-CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)csc1=NC(=O)c1cccc([N+](=O)[O-])c1 MOL6577
-O=C(Nc1ccccc1C(F)(F)F)OCCN1CCNC1=S MOL6578
-Cc1cc(NC(=O)Nc2cc(F)ccc2F)no1 MOL6579
-Cc1ccnc(NC(=O)Nc2cc(F)ccc2F)c1 MOL6580
-CCCCN1C(=O)C(=O)N(c2ccccc2C(F)(F)F)C1=O MOL6581
-C=CCN(CC=C)C(=O)Nc1ccc(C(=O)NN=Cc2cccc(OC)c2OC)cc1 MOL6582
-Cc1noc(NC(=O)Nc2ccccc2C(F)(F)F)c1C MOL6583
-CCOP(OCC)SSCn1nc2ccc3ccccc3n2c1=O MOL6584
-O=C(O)CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL6585
-Cc1cc(NC(=O)Nc2ccc(F)cc2)no1 MOL6586
-Cc1c(NC(=O)Nc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C MOL6587
-NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 MOL6588
-O=C(Nc1ccc(F)cc1)N(C1CCCCC1)C1CCCCC1 MOL6589
-O=C(Nc1ccc(F)cc1)Nc1ccc(Nc2ccccc2)cc1 MOL6590
-O=C(Nc1nccs1)Nc1cc(C(F)(F)F)ccc1Cl MOL6591
-NS(=O)(=O)c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 MOL6592
-COc1ccc(C=NNC(=S)Nc2ccccc2)cc1 MOL6593
-S=C(NN=Cc1ccccc1Cl)Nc1ccccc1 MOL6594
-CN(C)c1ccc(C=NNC(=S)Nc2ccccc2)cc1 MOL6595
-N#CCCN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 MOL6596
-O=C(Nc1ccc2[nH]c(=S)sc2c1)Nc1ccccc1F MOL6597
-COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)OC2=O MOL6598
-N#CC(=Cc1ccc(Cl)cc1)c1ccccc1 MOL6599
-COC(=O)C1CC(=O)N(C)c2sc(C)c(C)c2C1=O MOL6600
-C=C1CC[N+]2(C)CCCC12 MOL6601
-C=C1CC[N+]2(CCCCCC)CCCC12 MOL6602
-CC1CC[N+]2(C)CCCC12 MOL6603
-O=S(=O)(O)c1ccc2c(N=Nc3ccc(S(=O)(=O)O)c4ccccc34)c(O)c(S(=O)(=O)O)cc2c1 MOL6604
-Cc1cc(C)nc(NC(=O)Nc2cc(Cl)ccc2C)c1 MOL6605
-Cc1cccc(NC(=O)Nc2ccccc2F)n1 MOL6606
-O=C(Nc1ccccn1)Nc1cc(C(F)(F)F)ccc1Cl MOL6607
-Cc1cc(C)nc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 MOL6608
-O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1ccccc1F MOL6609
-COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C)ccn1 MOL6610
-CC1CC(C)CC(C)C(O)C(C#N)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1 MOL6611
-COC1=NCN=C2SC=C(N)N=C12 MOL6612
-CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 MOL6613
-CC(=O)CC(c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O MOL6614
-NC(=O)C=Cc1c[nH]c2nccnc12 MOL6615
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6C#N)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6616
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6cccc(C#N)c6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6617
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(C(C)(C)C)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6618
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN(Cc5ccccc5)C56CC7CC(CC(C7)C5)C6)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6619
-CCCCCCCCN(N=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4)C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1 MOL6620
-C=C(C)C1CCC2=CC(CC3(C)OC3c3cc(C(=O)OC)c(o3)C1)OC2=O MOL6621
-CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL6622
-CC1CC2NC(C)CC3NC(C)CC(N1)N32 MOL6623
-COC(=O)c1ccccc1C1=C(O)C(=O)C(c2ccccc2C(=O)OC)=C(O)C1=O MOL6624
-C=C1C=CN(C(C)=O)C(OC(C)=O)C1SC(C)(C)C MOL6625
-c1ccc2c(NCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 MOL6626
-c1ccc2c(NCCCCCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 MOL6627
-COc1ccc(C(CC(C)=O)c2c(O)c3ccccc3oc2=O)cc1OC MOL6628
-O=C1NN=C(C2CCCCC2)C12CCCCC2 MOL6629
-O=S(=O)(O)NC1CCCCC1 MOL6630
-N#Cc1ccccc1NC1OCC(O)C(O)C1O MOL6631
-O=[N+]([O-])c1ccc(-c2nc3c(o2)CCC3)cc1 MOL6632
-C=C(C)C(=O)OC1C2C(C)C(=O)OC2C(O)C(C)C2C=CC(=O)C21C MOL6633
-O=[N+]([O-])c1ccc(-c2nc(N(CCO)CCO)c3ccccc3n2)o1 MOL6634
-O=C(CNC(=O)c1ccc(Cl)cc1)NO MOL6635
-CC(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1 MOL6636
-O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O MOL6637
-CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 MOL6638
-CNC(=O)Nc1ccc(Cl)cn1 MOL6639
-Brc1ccc(C2=CSC3=NCCN23)cc1 MOL6640
-O=C(O)CC(NC(=O)CP(=O)(O)O)C(=O)O.[NaH] MOL6641
-O=c1c(Cl)c(Cl)cnn1-c1ccccc1 MOL6642
-N=c1nc2[nH]s[nH]c-2nc1=N MOL6643
-CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1.O=C(O)C(=O)O MOL6644
-N#CC(=C(N)c1ccccc1)c1ccccc1 MOL6645
-COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C MOL6646
-COc1ccc2nc3cc(Cl)ccc3c(NCCC[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1 MOL6647
-COc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2 MOL6648
-CC1=CC(C)N(C(=O)c2ccc(Cl)cc2)CCN1C(=O)c1ccc(Cl)cc1 MOL6649
-NC(CCSSCCC(N)C(=O)O)C(=O)O MOL6650
-NC(Cc1cc(O)c(O)c(S(=O)(=O)c2ccccc2)c1)C(=O)O MOL6651
-COc1cc2c(c(Oc3ccc(C)cc3)c1)CN(C)CC2 MOL6652
-CCC(C)C1NC(=O)C(N(C)C)Cc2cc(ccc2OC)C=CNC(=O)C(Cc2ccccc2)NC1=O MOL6653
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6cccc(O)c6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6654
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5c(=O)[nH]c6ccccc6c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6655
-Nc1ccc(N=Nc2ccccc2)c(N)n1 MOL6656
-O=c1[nH]c(=O)ss1 MOL6657
-COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C MOL6658
-NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O MOL6659
-O=C1C(CO)=C(CO)C(=O)c2c(O)ccc(O)c21 MOL6660
-COc1cc2c(cc1OCc1ccccc1)C=CN(C(=O)c1ccccc1)C2C#N MOL6661
-O=C1c2ccccc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6662
-O=C(O)C=CC(=O)NNC(=O)C=CC(=O)O MOL6663
-c1cc2nc(c1)CSCCCCCCCCSC2 MOL6664
-O=C(O)C=CC=CC(=O)O MOL6665
-CS(=O)(=O)C(CC(S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O MOL6666
-O=C1c2ccccc2C(=O)N1N1CC1Br MOL6667
-CCCCCCCCCC=C(CC(=O)O)C(=O)O MOL6668
-O=S1(=O)C=C(c2ccccc2)C2(c3ccccc3)C=NNC21 MOL6669
-N#CNC(=N)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL6670
-COC1CC(CC(C)O)CN(C#N)CCc2c1[nH]c1ccccc21 MOL6671
-COC1CC(CC(C)=O)CN(C#N)CCc2c1[nH]c1ccccc21 MOL6672
-CC1C=CC(C(=O)O)C2C(=O)OC(=O)C12 MOL6673
-Nc1nc(S)nc(O)c1N=O MOL6674
-O=C(O)C(CS(=O)(=O)O)S(=O)(=O)O MOL6675
-O=P1(Cc2ccccc2)C(c2ccccc2)=C(O)C2CCCC21 MOL6676
-O=C(O)Cn1c(=O)ccc2ccccc21 MOL6677
-CC(C)(C)C(=O)CS(=O)(=O)O MOL6678
-COc1cc(OC)c(C=Cc2cc(C=Cc3c(OC)cc(OC)cc3OC)[n+](C)c3ccccc23)c(OC)c1 MOL6679
-CC1=C(CCC(=O)O)C2=NC1=Cc1[nH]c(c(C(C)O)c1C)C=C1C(C)=C(C(C)O)C3=[N+]1[Pt-2](Cl)(Cl)n1c(c(C)c(CCC(=O)O)c1=C2)=C3 MOL6680
-O=S(=O)(c1ccccc1)S(=O)(=O)c1ccccc1 MOL6681
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccccc6O)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6682
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc([N+](=O)[O-])cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6683
-COc1cccc(CN2CCCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)c1 MOL6684
-COC(=O)C(O)=C(C(=O)OC)[n+]1cc(Br)cc2ccccc21 MOL6685
-CC1C(C)(C)P(=O)(Nc2ncn[nH]2)C1(C)C MOL6686
-COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c24)c65)OCO3 MOL6687
-Cc1nonc1C(=O)NN MOL6688
-Cc1nonc1NC(=O)OCc1ccccc1 MOL6689
-Cc1c(NC(=O)OCc2ccccc2)no[n+]1[O-] MOL6690
-Cc1no[n+]([O-])c1NC(=O)OCc1ccccc1 MOL6691
-CC12CCC(OC(=O)CCC(=O)O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O MOL6692
-CC1(CO)C(O)CCC2(C)C1CCC1CC3CC12CCC3(O)CO MOL6693
-COc1cc(OC)c2c(O)c3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)CC(C)(O)C6)c2c1)CC(C)OC3C MOL6694
-NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O MOL6695
-O=C(CCl)N1CCC(CC2(c3cc4ccccc4[nH]3)OCCO2)CC1 MOL6696
-Cn1c(C(O)(Cc2ccccn2)Cc2ccccn2)cc2ccccc21 MOL6697
-Cc1c2cc[n+]([O-])cc2c(C)c2c1[nH]c1ccccc12 MOL6698
-CCOC(=O)CN1CCC2CC1c1c([nH]c3ccccc13)C2c1cc2c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C3(CC)C=CCN4CCC21C43 MOL6699
-OCC1OC2NC(=S)OC2C1O MOL6700
-O=C(O)C1C2CCC(O2)C1C(=O)O MOL6701
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1S MOL6702
-CC(=O)O.Cc1cc(NCCCCCCNc2cc(C)nc3ccc(N)cc23)c2cc(N)ccc2n1 MOL6703
-CCCCCCCCCCCCS(=O)(=O)O MOL6704
-Clc1cc(Cl)c(SSc2cc(Cl)c(Cl)cc2Cl)cc1Cl MOL6705
-CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3N(c4ccccc4Cl)C32C#N)C1 MOL6706
-CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC3N(c4ccccc4)C32C(C)=O)C1 MOL6707
-CCN=C1C=CC(=C(c2ccc(NCC)c(C)c2)c2cc(O)c(S(=O)(=O)O)cc2S(=O)(=O)O)C=C1C MOL6708
-Cc1ccc(S(=O)(=O)N2CCn3ncc(C#N)c32)cc1 MOL6709
-COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC=O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O MOL6710
-COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(CO)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O MOL6711
-COc1ccc(CN2CCCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)cc1 MOL6712
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5C(C)CN(Cc6ccc(NC(C)=O)cc6)CC5C)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6713
-COc1cccc(CN2CCN(N=Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N4)O6)CC2)c1 MOL6714
-CCCCCCCCN1CCCN(N=Cc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N3)O5)CC1 MOL6715
-Cc1nc(O)nc(O)c1C=CC(=O)NC(CO)CS(=O)Cc1ccccc1 MOL6716
-OCC1OC(n2ccc3c2ncn2cnnc32)C(O)C1O MOL6717
-Cc1cc(N(CCCl)CCCl)ccc1N=Nc1ccccc1 MOL6718
-O=S(=O)(O)CCCCS(=O)(=O)O MOL6719
-CC(C)C(N)S(=O)(=O)O MOL6720
-CCNC(=S)NN=C(c1ccc(OC)cc1)P(=O)(OCC)OCC MOL6721
-CC(C)(C)C1=CC(=O)C(Cl)(C(C)(C)C)C(Cl)C1=O MOL6722
-O=C1NC(=O)C(SSC2C(=O)NC(=O)NC2=O)C(=O)N1 MOL6723
-Cc1ccc2nccc(C=Cc3ccc(N(C)C)cc3)c2c1 MOL6724
-CN(C)c1ccc(C=Cc2ccnc3c(O)cccc23)cc1 MOL6725
-COc1cc2c(c3oc4c(c(=O)c13)CCCC4)CCC(C)(C)O2 MOL6726
-COc1ccc(-c2c(O)c3c(OC)cc(OC)cc3oc2=O)cc1 MOL6727
-COc1ccc(-c2c(O)c3ccc(OC)cc3oc2=O)cc1 MOL6728
-O=c1oc2ccccc2c(O)c1-c1cccc2ccccc12 MOL6729
-COc1ccc2c(O)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 MOL6730
-COc1ccc2c(O)c(Cc3ccc(OC)c(OC)c3)c(=O)oc2c1 MOL6731
-COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c(O)c1C=CC(C)C MOL6732
-O=C(c1ccccc1)c1ccsc1C(=O)O MOL6733
-O=C(O)c1ccsc1C(=O)c1ccccc1 MOL6734
-O=C1OC(c2ccccc2)(c2ccccc2)c2ccsc21 MOL6735
-O=C1CCc2c(Cl)sc(Cl)c21 MOL6736
-Brc1cscc1Cc1cscc1Br MOL6737
-O=C1OC(c2ccccc2)(c2ccccc2)c2sccc21 MOL6738
-CC(=O)c1ccc(Cc2ccc(C(C)=O)s2)s1 MOL6739
-O=C(c1ccccc1)c1ccsc1C(=O)c1ccccc1 MOL6740
-Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccsc2C)cc1 MOL6741
-O=C1SC(c2ccccc2)(c2ccccc2)c2cscc21 MOL6742
-CCOC(=O)C(c1ccsc1)C(C(=O)OCC)c1cccs1 MOL6743
-OCc1ncccc1O MOL6744
-C[N+]1(CC(=O)O)C2CCC1CC(O)C2 MOL6745
-C[N+]12CCCCC1CC2 MOL6746
-CCOC(=O)C[N+]1(C)C2CCC1CC(O)C2 MOL6747
-C[N+]1(CCO)C2CCC1CC(O)C2 MOL6748
-CC(=O)OC1CCN(C)CC1CCl MOL6749
-CC(=O)OCC1C(OC(C)=O)CC2CCC1N2C#N MOL6750
-CCOC(=O)C[N+]1(C)CCC(O)CC1 MOL6751
-N[Pt-2]1(N)OC(=O)C2(CCC2)C(=O)O1 MOL6752
-NC(CSCCSCC(N)C(=O)O)C(=O)O MOL6753
-NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O MOL6754
-O=C1CCC(N2C(=O)C3CC=CCC3C2=O)C(=O)N1 MOL6755
-O=C1CCC(N2C(=O)C3CCCCC3C2=O)C(=O)N1 MOL6756
-O=C1CCC(N2C(=O)C3C4c5ccccc5C(c5ccccc54)C3C2=O)C(=O)N1 MOL6757
-O=C1CCC(N2C(=O)C3C4C=CC(CC4)C3C2=O)C(=O)N1 MOL6758
-O=C1CCC(N2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)C(=O)N1 MOL6759
-CC12C(=O)N(C3CCC(=O)NC3=O)C(=O)C1C1CCC2C1 MOL6760
-O=C1CCC(N2C(=O)C3C4CCC(CC4)C3C2=O)C(=O)N1 MOL6761
-CC1OC2COC(C)OC2C(C2CN2)O1 MOL6762
-Cc1ccnc(NC(=O)Nc2cc(Cl)ccc2Cl)c1 MOL6763
-O=C1CCC(N2C(=O)C3C4CCC(O4)C3C2=O)C(=O)N1 MOL6764
-CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O MOL6765
-CCC1(O)CC(OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC MOL6766
-CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)C1C(=O)OC MOL6767
-CCC(C(=O)C(C)C(O)C(C)CCc1ccc(C)c(O)c1C(=O)O)C1OC(CC)(C2CCC(O)(CC)C(C)O2)CC1C MOL6768
-Cc1ccc(S(=O)(=O)OCC2OC(OC3(CO)OC(COS(=O)(=O)c4ccc(C)cc4)C(O)C3O)C(O)C(O)C2O)cc1 MOL6769
-CC(C)(C)c1ccc(SS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 MOL6770
-CCOC(=O)CC(C)=NNC(=O)c1ccncc1 MOL6771
-CNCC(=O)c1ccc(O)c(O)c1 MOL6772
-O=S(=O)(O)C(I)S(=O)(=O)O MOL6773
-CC(=O)CCS(=O)(=O)O MOL6774
-CC(C(C(=O)O)S(=O)(=O)O)C(C(=O)O)S(=O)(=O)O MOL6775
-CCOC(=O)NC(S(=O)(=O)O)S(=O)(=O)O MOL6776
-NC(=O)NC(S(=O)(=O)O)S(=O)(=O)O MOL6777
-COC(=O)NC(S(=O)(=O)O)S(=O)(=O)O MOL6778
-O=[N+]([O-])NCC(NN[N+](=O)[O-])N[N+](=O)[O-] MOL6779
-N#CC1C(=O)Nc2cccnc21 MOL6780
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6781
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O)C1C MOL6782
-COC1C=COC2(C)Oc3c(C)c(OC(C)=O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(C)=O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O MOL6783
-COC1=NC2=CC(=O)c3c(c(OC(C)=O)c(C)c4c3C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(OC(C)=O)C(C)C=CC=C1C)O4)C2=O MOL6784
-COC(OC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL6785
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL6786
-CC12C=NNC1(C)C(=O)C1(C)CN=NC1(C)C2=O MOL6787
-CNCS(=O)(=O)O MOL6788
-O=C1C2C3CCC(C3)C2C(=O)C2C3CCC(C3)C12 MOL6789
-C1=CC2(C=C1)OC21CCC2(C=CC3(C2)OC3C2CCCCC2)CC1 MOL6790
-OC1C2C3CCC(C3)C2C(O)C2C3CCC(C3)C12 MOL6791
-O=C1C2C3C=CC(CC3)C2C(=O)C2C3C=CC(C3)C12 MOL6792
-O=C1C2=C(C(=O)C3=C1C1CCC3C1)C1CCC2C1 MOL6793
-CC=CC[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1 MOL6794
-Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)CC2C.F[P-](F)(F)(F)(F)F MOL6795
-CC1CC[P+](c2ccccc2)(c2ccccc2)Cc2ccccc21.F[P-](F)(F)(F)(F)F MOL6796
-Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)CCC2C.F[P-](F)(F)(F)(F)F MOL6797
-CC=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6798
-CC1CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F MOL6799
-CC1CC[P+](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21.F[P-](F)(F)(F)(F)F MOL6800
-CC(C)=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6801
-C=CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6802
-CC1(C)CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F MOL6803
-COC1=CC23CCCN2CCc2cc4c(cc2C3C1O)OCO4 MOL6804
-COC1=CC23CCCN2CCc2cc4c(cc2C3C1O)OCO4 MOL6805
-COc1ccc(CC(=O)NC(C)Cc2ccc(OC)c(OC)c2)cc1OC MOL6806
-COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1O MOL6807
-CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CC(O)C2O MOL6808
-Clc1cccc(Cl)c1C1CSc2ccccc2N=C1c1ccccc1 MOL6809
-O=[N+]([O-])c1cccc(C2CC(c3ccccc3)=Nc3ccccc3S2)c1 MOL6810
-COc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2S1 MOL6811
-COc1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1 MOL6812
-COc1ccc(C2=Nc3ccccc3SC(c3ccc(OC)cc3)C2)cc1 MOL6813
-COc1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1OC MOL6814
-COc1cc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)C)c(Oc2cc(CC3c4cc(OC)c(OC)cc4CC[N+]3(C)C)ccc2OC)cc1OC MOL6815
-O=C(C=Cc1ccc2c(c1)OCO2)c1ccccc1 MOL6816
-CC(C)(C)C1C2N1C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21 MOL6817
-CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC=C(c3ccccc3)c3ccccc3)CCC12 MOL6818
-CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL6819
-O=C1c2ccccc2CCCC12OC2c1cccnc1 MOL6820
-C=CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6821
-Sc1ncnc2c1ccc1[nH]cnc12 MOL6822
-N#Cc1cnc2nc1NCCCCCCC2 MOL6823
-CC(=O)OC(C)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)C(C(C)OC(C)=O)C(C)(O)CC3=O)c1O)C2=O MOL6824
-CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 MOL6825
-Cc1cccc(NC(=S)NC(=O)c2ccccc2)n1 MOL6826
-Cc1ccccc1N1C(=O)N[N+](C)(C)C1=O MOL6827
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2Cl MOL6828
-CCC1c2cc3n(c(=O)c2COC1O)Cc1c-3nc2ccccc2c1Cl MOL6829
-CCOC(=O)c1c(C(CC)C(=O)OC(C)C)cc2n(c1=O)Cc1c-2nc2ccccc2c1Cl MOL6830
-CCC1C(=O)OCc2c1cc1n(c2=O)C(CC)c2c-1nc1ccccc1c2Cl MOL6831
-COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 MOL6832
-COc1c2c(cc3c1C1Oc4c(ccc(O)c4CC=C(C)C)C1CO3)OC(C)(C)C=C2 MOL6833
-C=C1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2O MOL6834
-O=C1C(=Cc2ccccc2[N+](=O)[O-])CCCc2ccccc21 MOL6835
-C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1 MOL6836
-c1cc(-c2nc(-c3ccncc3)nc(-c3ccncc3)n2)ccn1 MOL6837
-C=C([Si](C)(C)C)[Si](C)(C)C MOL6838
-Nc1nc(N)c(N=O)c(Nc2ccc(O)cc2)n1 MOL6839
-Cc1ccc(Nc2nc(N)nc(N)c2N=O)cc1C MOL6840
-Nc1nc(N)c(N=O)c(Nc2cccc(Br)c2)n1 MOL6841
-O=c1oc2c(-c3ccccc3)cccc2c(O)c1-c1ccccc1 MOL6842
-Cc1c(O)c2cccc(-c3ccccc3)c2oc1=O MOL6843
-O=c1oc2ccccc2c(O)c1Oc1ccccc1 MOL6844
-COc1cccc(Oc2c(O)c3ccc(OC)cc3oc2=O)c1 MOL6845
-COc1ccc(-c2c(O)c3cccc(-c4ccccc4)c3oc2=O)cc1 MOL6846
-O=c1oc2cccc(O)c2c(O)c1Cc1ccccc1 MOL6847
-COc1ccc2c(O)c(Oc3ccccc3)c(=O)oc2c1 MOL6848
-COc1ccc2c(O)c(Cl)c(=O)oc2c1 MOL6849
-CC1(C)CCc2cc3c(O)c(-c4ccccc4)c(=O)oc3cc2O1 MOL6850
-COc1cc2c(cc1OC)-c1[nH]c(=N)sc1CC2 MOL6851
-COc1ccc2c(c1)CCC1C(=O)NN=C21 MOL6852
-COc1cc2ccc3c(c2cc1OC)CCc1cn[nH]c1-3 MOL6853
-Oc1cc2ccc3c(c2cc1O)CCc1cn[nH]c1-3 MOL6854
-COc1cc2ccc3c(c2cc1OC)CCc1cnoc1-3 MOL6855
-C=CCNc1nc2c(s1)CCc1cc(OC)c(OC)cc1-2 MOL6856
-Oc1cc2c(cc1O)-c1[nH]ncc1CC2 MOL6857
-COc1cc2c(cc1OC)C1=NN(c3ccccc3)C(=O)C1CC2 MOL6858
-COc1ccc(C2=NNC(=O)CC2)cc1OC MOL6859
-N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1 MOL6860
-COC1C=COC2(C)Oc3c(C)c(OC(C)=O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O MOL6861
-C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1 MOL6862
-C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1 MOL6863
-C[n+]1ccccc1-c1nc(-c2cccc[n+]2C)nc(-c2cccc[n+]2C)n1.[O-][Cl+3]([O-])([O-])O MOL6864
-C[n+]1ccc(-c2nc(-c3cc[n+](C)cc3)nc(-c3cc[n+](C)cc3)n2)cc1 MOL6865
-COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4 MOL6866
-COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC34C=CC1C24 MOL6867
-CCOC(=O)C(F)C(Br)C(=O)OCC MOL6868
-O=C1O[Cu-3]2(Oc3ccccc31)Oc1cccc3ccc[n+]2c13 MOL6869
-O=C1c2ccccc2C(=O)N1CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6870
-CN(C)c1ccc2nc(C(=O)O)c(=O)n(C)c2c1 MOL6871
-CCOC(=O)C(O)=Cc1nc2ccccc2nc1C MOL6872
-CCOC(=O)C(Cc1nc2ccccc2n(C)c1=O)=NO MOL6873
-CCOC(=O)C(=O)CC1=NC2CCCCC2N(C)C1=O MOL6874
-Cn1c(=O)c(CC(C(=O)O)C(=O)O)nc2ccccc21 MOL6875
-N=c1sc(=S)[nH]c2[nH]ncc12.c1ccncc1 MOL6876
-N=c1sc(=S)[nH]c2[nH]ncc12.c1ccncc1 MOL6877
-c1ccc([PH](Cc2nc3ccccc3[nH]2)(c2ccccc2)c2ccccc2)cc1 MOL6878
-CNc1ncc2nc(C)c(=O)n(C)c2n1 MOL6879
-CCOC(=O)c1nc2c(C)nc(N(C)C)nc2n(C)c1=O MOL6880
-CCOC(=O)c1cnc2c(ccc3ncccc32)c1NCCCN(CC)CC MOL6881
-COc1ccc2c(ccc3nc(CCC(=O)O)n(C)c(=O)c32)c1 MOL6882
-O=C1CCC2=NCc3c(ccc4ccccc34)N12 MOL6883
-Nc1[nH][nH]c(=O)c1N=O MOL6884
-Cc1nn(C)c(N)c1N=O MOL6885
-Nc1ncnc2c1C=C(B(O)O)B(O)N2 MOL6886
-CCCCCCCCCCCCCCCCCCCCC(C(=O)OCC)S(=O)(=O)O MOL6887
-COc1cc2c(c(OC)c1OC)CCC1C(=O)NN=C21 MOL6888
-COc1cc2c(c(OC)c1OC)CCC1(C)C(=O)NN=C21 MOL6889
-COc1cc2c(c(OC)c1OC)-c1oncc1CC2 MOL6890
-COc1cc2c(c(OC)c1OC)C1=NNC(=O)C1(C)CC2 MOL6891
-CCCCC(=O)N1C(=O)C(=CN(C)C)c2cc(C=O)ccc21 MOL6892
-CC[N+]1(CC)CCC(=O)[Pd-2]12[O+]=C(C)CC(C)=[O+]2 MOL6893
-COC1=NC2=CC(=O)c3c(c(O)c(C)c4c3C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C1C)O4)C2=O MOL6894
-Cc1cn(C2CC(O)C(CN=[N+]=[N-])O2)c(=O)[nH]c1=O MOL6895
-CC1=C(O)C(=O)C(C)=C(O)C1=O MOL6896
-CC(C)(O)C1CCC2(C)CC(=O)NCCN12 MOL6897
-Cc1ccc(C)c2c1C(=O)N(c1ccccc1)C2=O MOL6898
-COc1cc2c(cc1OC)C1CC(=O)C(CCCCCCC3CN4CCc5cc(OC)c(OC)cc5C4CC3=O)CN1CC2 MOL6899
-O=C1CC(c2ccccc2)C(c2ccccc2)C1=O MOL6900
-COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1 MOL6901
-N#CC12C3C4C5C3C1C(C42)n1c(=O)n(-c2ccccc2)c(=O)n15 MOL6902
-O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C5C1C5C2C43 MOL6903
-Cn1c(=O)n2n(c1=O)C1C=CC2C2C=C(c3ccccc3)C21 MOL6904
-Cn1c(=O)n2n(c1=O)C1C3C4C5C3C13COCC53C42 MOL6905
-O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C5C3C2C5(F)C41 MOL6906
-O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4C3C2C2(F)C4C12 MOL6907
-N#CC12C3C4C5C3C1n1c(=O)n(-c3ccccc3)c(=O)n1C5C42 MOL6908
-O=C1CC2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21 MOL6909
-Cn1c(=O)n2n(c1=O)C1C3C4C3C3C5(COCC135)C42 MOL6910
-O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC2C23C=CC12CCCC3 MOL6911
-CCN(CC)CC(C)=C(c1ccccc1)c1ccccc1S(N)(=O)=O MOL6912
-NS(=O)(=O)c1ccc(SSc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL6913
-COC1C=CC=C(C)C(=O)Nc2cc3nc4ccc(Br)cc4oc-3c(c2=O)CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O MOL6914
-COc1c(OC(C)=O)cc2c(OC(C)=O)c1CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)N2 MOL6915
-COC1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O MOL6916
-COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=C(C=NN3CCCCC3)C1=O)C2=O MOL6917
-CCc1cc(C(N)=S)ccn1 MOL6918
-CC1C(c2ccccc2)=Nn2c(=O)n(-c3ccccc3)c(=O)n21 MOL6919
-O=C1Nc2ccccc2SC1=Cc1ccccc1 MOL6920
-COC(=O)c1nn2c(=O)[nH]c3ccccc3c2c1C(=O)OC MOL6921
-COC(=O)C1=C(OC(C)=O)c2ccccc2CS1 MOL6922
-Cc1ccc(S(=O)(=O)ON=C(CCC(=NOS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc2)cc1 MOL6923
-N#CC1C(C#N)C2(c3ccccc3)C(c3ccccc3)=NN(c3ccccc3)CC12 MOL6924
-O=S(=O)(O)CCNC(=S)C(=S)NCCS(=O)(=O)O MOL6925
-CC12CC3(C)CC(C)(C1)CC(C(NC(C)(C)C)C(=O)O)(C2)C3 MOL6926
-CC(=O)Nc1nc(NC(C)=O)c(N=O)c(NC(C)=O)n1 MOL6927
-CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13.O=S(=O)(O)O MOL6928
-Cc1cccc(-n2cc(C#N)c3c(C)cc(C)nc32)c1 MOL6929
-CC1OC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)CC(N)C1O MOL6930
-CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1ccccc1C3=O MOL6931
-COc1cc(OC)c(OC)cc1C=Cc1nccc2ccccc12 MOL6932
-COc1cc(OC)c(C=Cc2nccc3ccccc23)c(OC)c1 MOL6933
-COc1cc(OC)c(C=Cc2ccnc3ccccc23)c(OC)c1 MOL6934
-C(=Cc1nc2ccccc2s1)c1ccc2c(c1)OCO2 MOL6935
-CC(C)Cc1ccc(C(C)C(=O)O)cc1 MOL6936
-COC(=O)c1ccc2cc1nc1c(C#N)c[nH]c(=S)n21 MOL6937
-CCOC(OCC)c1ccc(-n2c(=S)[nH]cc(C#N)c2=N)c2c1OC2=NC=C(C#N)C#N MOL6938
-COc1cc2cc3c4cc(OC)c(OC)cc4cc(C)[n+]3cc2cc1OC MOL6939
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1 MOL6940
-Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 MOL6941
-CC1=CC(C)=Nc2ccccc2N1 MOL6942
-CC1=CC(C)=Nc2ccccc2N1.O=S(=O)(O)O MOL6943
-C1=CNc2ccccc2N=C1 MOL6944
-CC1=C(Br)C(c2ccccc2)=Nc2ccccc2N1 MOL6945
-CC1=Nc2ccccc2NC(C)(C)C1.[O-][Cl+3]([O-])([O-])O MOL6946
-CC1(C)CCNc2ccccc2S1 MOL6947
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N(C)C)C(O)C(C)O1 MOL6948
-Brc1cnc2[nH]nnc2c1 MOL6949
-Cc1cc2nc3c4ccccc4n(C)c3nc2cc1C MOL6950
-COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3C(=O)N(C)C(Cc4ccc(O)c(c4)Oc4ccc(cc4)C3O)C(=O)NC(C)C(=O)NC(C)C(=O)N2C)cc1 MOL6951
-COc1ccc(CC2C(=O)NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(=O)NC(C)C(=O)NC(C)C(=O)N2C)N(C)C3=O)cc1 MOL6952
-COc1oc(C2CC(=CC(C)=CC(C)=CC(C)=Cc3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C MOL6953
-COc1ccc2c(NCCCCCCNc3c4ccccc4nc4cc(OC)ccc34)c3ccccc3nc2c1 MOL6954
-C=C1C(=O)OC2CC(C)C3CC(OC)OC(OC)C3(C)CC12 MOL6955
-O=[N+]([O-])c1nccn1CC(O)CO MOL6956
-COCC(O)Cn1ccnc1[N+](=O)[O-] MOL6957
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N(C)C)C(O)C(C)O1 MOL6958
-ClCC[N+]12CC[N+](CCCl)(CC1)C2 MOL6959
-O=CN(SSN(C=O)C1CCCCC1)C1CCCCC1 MOL6960
-CC1CCN(SSc2nc3ccccc3s2)CC1 MOL6961
-CCSSC(=Nc1ccccc1)OCC(C)C MOL6962
-CCCCCCCCCCCCSSC(=S)OC(C)C MOL6963
-COC(=Nc1ccccc1)SSC(C)C MOL6964
-CCCCSc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1 MOL6965
-C1=[N+]2CCCN3CCC[N+]4=Cc5ccccc5O[Co-3]324Oc2ccccc21 MOL6966
-CCC1(O)CCC2C3CC=C4CCCCC4C3CCC21C MOL6967
-CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1 MOL6968
-CCN=C1SC2C(=O)N(C)C(S1)C(=O)N2C MOL6969
-CNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL6970
-CCCNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL6971
-CCN(CC)C1=NS(=O)(=O)c2ccccc2C(SC)=C1C MOL6972
-CCN(CC)CC(C)C1NS(=O)(=O)c2ccccc21 MOL6973
-COc1ccc(C=C2N=C(c3ccccc3)OC2=O)c(OCc2ccccc2)c1 MOL6974
-Cc1ccc([PH](CCN2C(=O)c3ccccc3C2=O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL6975
-CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O MOL6976
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC1(O)CC3OC1(C)OC MOL6977
-CCOP(=O)(CC(=O)c1cc2ccccc2[nH]1)OCC MOL6978
-Cn1c(C(=O)c2cc3ccccc3n2C)cc2ccccc21 MOL6979
-N#CCc1c(C2(c3ccncc3)OCCO2)[nH]c2ccccc12 MOL6980
-CCOC(=O)CN1CCC(C(O)c2cc3ccccc3[nH]2)CC1 MOL6981
-CC(C)C(O)(C(=O)OCC1=CN2CCC1CC2)c1ccccc1 MOL6982
-COc1ccc(CC#N)c(OCc2ccccc2)c1 MOL6983
-Nc1ccc(N=O)c(N)n1 MOL6984
-Cc1ccccc1Nc1nc(-c2ccccc2)nc(N)c1N=O MOL6985
-CN(C)c1nc(N)c(N=O)c(O)n1 MOL6986
-COC(=O)C=C1Nc2c(n(C)c(=O)n(C)c2=O)NC1=O MOL6987
-CC(=O)OC1C(CNC(=O)N(C)N=O)OC(OC2(CNC(=O)N(C)N=O)OC(CNC(=O)N(C)N=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL6988
-N=c1[nH]c(Cl)cc2nsnc12 MOL6989
-Clc1cc2nsnc2c(Cl)n1 MOL6990
-C=C1C(=O)OC2CC(C)C3C=CC(=O)C3CC12 MOL6991
-O=Nc1ccc(Cl)cc1C(=O)c1ccccc1 MOL6992
-BrCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL6993
-CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C(O)C=CC(=O)O MOL6994
-COC1=C(C2=C(OC)C(=O)c3cc4c(c(O)c3C2=O)C(=O)OC(C)C4)C(=O)c2c(cc3c(c2O)C(=O)OC(C)C3)C1=O MOL6995
-COC1C(C)OC(OC2CC(C)(O)C(C(=O)O)c3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(OC)C1(C)OC MOL6996
-COC1C(C)OC(OC2CC(C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cc3c(c2C4=O)OC2OC3(C)C(O)C(N(C)C)C2O)C(OC)C1(C)OC MOL6997
-COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)NCC2 MOL6998
-Cc1ccc2c(c1)C(=O)N(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O MOL6999
-CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O MOL7000
-Cn1c(=O)c(S(C)=O)c(O)c2ccccc21 MOL7001
-CN(C)CNc1ncnc2onc(-c3ccccc3)c12 MOL7002
-O=C1[OH+][Pt-2]2(NC3CCCCC3N2)[OH+]C1=O MOL7003
-O=C1CC(=O)O[Pt-2]2(NC3CCCCC3N2)O1 MOL7004
-CCCCCC(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7005
-Cn1c(=O)[nH]c(O)c(N=O)c1=O MOL7006
-Nc1nc(N)c(N=O)c(Nc2ccccc2)n1 MOL7007
-Nc1ccnc(N)c1N=O MOL7008
-C=C(C)C12CC(C)C34OC(C=CC=CCCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14)O2 MOL7009
-O=S(=O)(OC1=CCCCCCC1)C(F)(F)F MOL7010
-O=S(=O)(OC(=C(c1ccccc1)c1ccccc1)c1ccccc1)C(F)(F)F MOL7011
-CC(C)=COS(=O)(=O)C(F)(F)F MOL7012
-O=S(=O)(OC=C1CCCCC1)C(F)(F)F MOL7013
-CC(=COS(=O)(=O)C(F)(F)F)c1ccccc1 MOL7014
-C[Si](C)(C)OC=C1CCCCC1 MOL7015
-CC(=CO[Si](C)(C)C)c1ccccc1 MOL7016
-Cc1ccc(S)c(C(O)(C(F)(F)F)C(F)(F)F)c1 MOL7017
-COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C(C1(C)CO1)CO2 MOL7018
-CCC(C)C(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C(O)C(O)C4(C)OCC23C14 MOL7019
-COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(O)c1OC MOL7020
-O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(c(O)c21)OCO3 MOL7021
-O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12 MOL7022
-Cc1cccc2c1C(=O)N(CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O MOL7023
-CC1Cc2c([nH]c3ccccc3c2=O)O1 MOL7024
-CC(=O)Nc1ncc2ccccc2c1-c1ccc(NC(=O)CN(CCO)CCO)cc1 MOL7025
-CNC1=C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)C=COC3(C)Oc4c(C)c(O)c(c(c4C3=O)C1=O)C2=O MOL7026
-CNN=Cc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)C(C)(OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)N2)O4 MOL7027
-COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C2OC(C)(C)OC(C1C)C2C)C4=O MOL7028
-O=C1c2ccccc2C(=O)C1(Br)c1ccccc1 MOL7029
-CC(=O)C1(O)C(=[N+]=[N-])C(=O)Nc2ccccc21 MOL7030
-CC1(CO)NC(C(=O)O)Cc2c1[nH]c1ccccc21 MOL7031
-CC1(CO)NC(C(=O)O)Cc2c1[nH]c1ccccc21 MOL7032
-CC1OC(CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O MOL7033
-O=C(Cn1c(=O)ccc2ccccc21)Cn1c(=O)ccc2ccccc21 MOL7034
-CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC(=O)C(=O)c3ccccc3)CCC12 MOL7035
-COC(=O)CCC(C)C1CCC2C3=CC(=O)C4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C21C MOL7036
-COc1cc(Br)c(CCC#N)cc1OC MOL7037
-COc1cc2c(cc1OC)C(CN)C2 MOL7038
-COc1cc2c(cc1OC)C(CNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C2 MOL7039
-CCN(CC)C1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O MOL7040
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N(Cc2ccccc2)Cc2ccccc2)C(O)C(C)O1 MOL7041
-CC1CC(c2ccc3ccccc3c2)NCCNC(c2ccc3ccccc3c2)CC(C)NCCN1 MOL7042
-CCN(CC)C(=O)C1(C)NS(=O)(=O)c2ccccc2C1=O MOL7043
-O=C1c2ccccc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7044
-CCN(Cc1ccccc1)c1ccc(C=Cc2ccnc3ccccc23)cc1 MOL7045
-CN(C)c1ccc(-c2c3ccccc3nc3ccccc23)cc1 MOL7046
-CCOC(=O)Nc1ccc(C=Cc2ccnc3ccccc23)cc1 MOL7047
-C(=Cc1ccnc2ccccc12)c1ccc(N=CNc2ccc(C=Cc3ccnc4ccccc34)cc2)cc1 MOL7048
-Cc1cc(N(C)C)c(C=O)c(C)c1C=O MOL7049
-CCN(Cc1ccccc1)c1ccc(C=Cc2nccc3ccccc23)cc1 MOL7050
-COc1cc(C(Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)ccc1N(C)C MOL7051
-COc1cc(NCCN2CCN(CCNc3cc(OC)cc4cccnc34)CC2)c2ncccc2c1 MOL7052
-Sc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 MOL7053
-COC(=O)C12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=CCC(C)C(O)C4(C(=O)OC)O5)c(O)c3C(=O)C1=CCC(C)C2O MOL7054
-CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=O)cc1 MOL7055
-CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 MOL7056
-CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN MOL7057
-COc1ccc(CC2=CC(=O)C(=O)C=C2C)cc1 MOL7058
-COc1ccc(C=C2C=C3OCOC3=CC2=O)cc1 MOL7059
-COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(O)C(OC)C(C)O3)C(O)C(C)O2)C(O)C(C)O1 MOL7060
-COC1CC(C)(O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)C)C1O MOL7061
-CC1COP(N(C(C)C)C(C)C)O1 MOL7062
-CCN(CC)P1OCC(C)O1 MOL7063
-CCN(CC)P1(=S)OCC(C)O1 MOL7064
-COc1ccc(OP2OCC(C)O2)cc1 MOL7065
-CN1CCN(C)P1c1ccccc1 MOL7066
-Clc1c(Cl)c2c(Cl)c(Cl)c1C[PH](c1ccccc1)(c1ccccc1)CC[PH](c1ccccc1)(c1ccccc1)Cc1c(Cl)c(Cl)c(c(Cl)c1Cl)C[PH](c1ccccc1)(c1ccccc1)CC[PH](c1ccccc1)(c1ccccc1)C2 MOL7067
-COc1ccc(CC2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(CC2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 MOL7068
-COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(CNCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C MOL7069
-CCCC[Sn](CCCC)(CCCC)CS(=O)(=O)O MOL7070
-N#CC1=C(C#N)SCCCS1 MOL7071
-CCc1cccc(CC)c1N1C(=O)C2=C(SCCCS2)C1=O MOL7072
-N#Cc1c(N)sc(=S)c2c1CCCC2 MOL7073
-CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCC(O)C(C)CC(=O)OCC2(CC1O)C4(C)C31CO1 MOL7074
-CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCC(O)C(C)CC(=O)OCC2(CC1O)C4(C)C31CO1 MOL7075
-CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCC(O)C5(C)OC5C(=O)OCC2(CC1O)C4(C)C31CO1 MOL7076
-CC(O)C1C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C4OC4(C)C(O)CO1)C2(C)C31CO1 MOL7077
-O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O MOL7078
-CCOC(=O)CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7079
-N=C(N)NP(=O)(Oc1ccccc1)Oc1ccccc1 MOL7080
-CCCCCCCCCCCCCCCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=Nc1ccccc1 MOL7081
-COc1ccccc1N1C(=O)CSC1=Nc1ccccc1 MOL7082
-Nc1ccc2oc3cccnc3c2c1 MOL7083
-CC(=O)c1c(O)cc2c(c1O)C1CC(C)(CCC1=C(C)C)O2 MOL7084
-CC1=Nc2ccc(Cl)cc2N=C(C)C1 MOL7085
-CC1=Nc2ccc(C)cc2N=C(C)C1 MOL7086
-CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1 MOL7087
-CCCNC(=S)NN1C2CSC1CS2 MOL7088
-OC1COCC2N3C(=NN12)Sc1ccccc13 MOL7089
-CC(=O)OC1CSS(=O)CC1OC(C)=O MOL7090
-CCCN1NOC(=N)N1 MOL7091
-Sc1ccccc1N=Cc1cccs1 MOL7092
-Cc1ccc(C2=Nc3ccccc3SC(c3cccc([N+](=O)[O-])c3)C2)cc1 MOL7093
-O=[N+]([O-])c1ccc(C2CC(c3ccccc3)=Nc3ccccc3S2)cc1 MOL7094
-Sc1ccccc1N=Cc1ccc(C=Nc2ccccc2S)cc1 MOL7095
-O=c1cc(O)n2nncc2[nH]1 MOL7096
-O=[N+]([O-])c1cnc(C=[N+]([O-])CCO)n1CCO MOL7097
-COc1ccc(C(O)C[N+]([O-])=Cc2ncc([N+](=O)[O-])n2C)cc1 MOL7098
-O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7099
-O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7100
-CC(=O)O.Cc1cc(NCCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 MOL7101
-C#CC1(O)CCC2C3CCC4=Cc5oncc5CC4(C)C3CCC21C MOL7102
-COc1cc2c(cc1O)-c1oncc1CCC2 MOL7103
-COc1cc2c(cc1O)-c1n[nH]cc1CCC2 MOL7104
-COC1=CC(=O)C=C(CO)C1=O MOL7105
-COC1=CC(=O)C(CO)=CC1=O MOL7106
-CCOC(=O)C1(c2ccccc2)C(=O)Oc2ccccc21 MOL7107
-CC(C)(C)COC(=O)NC1CCC2CCCCC2C1 MOL7108
-c1ccc(SCCC(Sc2ccccc2)Sc2ccccc2)cc1 MOL7109
-C1OCN2CSCC12 MOL7110
-c1ccc(C2SCC3COCN32)cc1 MOL7111
-O=[N+]([O-])c1ccc(C2OCC3CSCN32)cc1 MOL7112
-O=C(O)c1ccc2c(c1)C(=O)O[Pt-2]1(NC3CCCCC3N1)OC2=O MOL7113
-COC(CCC(C)C1OC23CC(OC(=O)CC(C(C)O)OC(=O)CC(O)(O2)C(C)CC3(C)C)C1C)c1cccc(O)c1 MOL7114
-Cc1cc(NCCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1 MOL7115
-CCCOC(=O)C(F)C(Br)C(=O)OCCC MOL7116
-CCOC(=O)C1=Nc2ccccc2N=C(C2C(=O)C=C(C)OC2=O)C1 MOL7117
-CC(C)c1ccc(C(=O)C=C(O)C(O)=CC(=O)c2ccc(C(C)C)cc2)cc1 MOL7118
-CC(C)CC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C MOL7119
-COc1cc2c(cc1O)C1CC(CC3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 MOL7120
-O=C1CC2(Cl)CN3c4ccccc4C(=O)CC3(Cl)CN2c2ccccc21 MOL7121
-COc1cc(OC)c(C=Cc2ccncn2)c(OC)c1 MOL7122
-CC1CC[PH](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21 MOL7123
-CC1C[PH](c2ccccc2)(c2ccccc2)Cc2ccccc21 MOL7124
-Cc1cc(NCCCCCCCNc2cc(C)nc3cc(N)ccc23)c2ccc(N)cc2n1 MOL7125
-Nc1nc(N)nc(NCCSSCCNc2nc(N)nc(N)n2)n1 MOL7126
-c1ccc2oc(NCCSSCCNc3nc4ccccc4o3)nc2c1 MOL7127
-c1ccc2sc(NCCSSCCNc3nc4ccccc4s3)nc2c1 MOL7128
-O=S(=O)(NCCSSCCNS(=O)(=O)c1ccccc1)c1ccccc1 MOL7129
-O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL7130
-O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 MOL7131
-COc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(OC)cc2)cc1 MOL7132
-O=[N+]([O-])c1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL7133
-CC(=O)Nc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL7134
-O=S(=O)(NCCSSCCNS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 MOL7135
-O=S(=O)(NCCSSCCNS(=O)(=O)c1cccs1)c1cccs1 MOL7136
-O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12 MOL7137
-CP1(=S)CC(Cl)=C2CCCCC21 MOL7138
-CP1(=S)CCC2=C1c1ccc(O)cc1CC2 MOL7139
-COc1ccc2c3c(cnc2c1)P(C)(=O)CC3 MOL7140
-COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CCP1(C)=O MOL7141
-CCC1CC2CC3c4c(c5cc(OC)ccc5n4C)CCN(C2)C13 MOL7142
-CCC1CC2CC3c4[nH]c5ccc(O)cc5c4CCN(C2)C13.Cl MOL7143
-Cc1cc2c(c3ncccc13)OCN(Cc1ccc(Cl)cc1)C2 MOL7144
-Cc1cc2c(c3ncccc13)OCN(Cc1ccc(Cl)c(Cl)c1)C2 MOL7145
-COc1ccc(CN2COc3c(cc(C)c4cccnc34)C2)cc1 MOL7146
-C=C1C(=O)OC2CC(C)C3C(OC(C)=O)CC(OC(C)=O)C3(C)CC12 MOL7147
-COc1cc2c(cc1Oc1ccc(OC)c3c1CC1c4c(cc(OC)c(OC)c4-3)CCN1C)CC1c3c(cc(OC)c(OC)c3-2)CCN1C MOL7148
-N#CC(N)=C(C#N)N=C1OCC(O)C(O)C1O MOL7149
-COC(=N)C(C#N)=NC1OCC(O)C(O)C1O MOL7150
-COc1cc2c(cc1OC)C1CC(OC(=O)c3ccccc3)(c3nccc4cc(OC)c(OC)cc34)CCN1CC2 MOL7151
-CC(=O)Oc1ccc2c3c4nc5ccccc5nc4cc(OC(C)=O)c3n(C)c2c1 MOL7152
-O=NCC(=O)OCc1ccccc1 MOL7153
-COCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O MOL7154
-CC1(C)OCC(CO)(Nc2nc(N3CC3)nc(N3CC3)n2)CO1 MOL7155
-CCOC(=O)Nc1ccc2nc(Sc3ccc(C)cc3)sc2c1 MOL7156
-CCOC(=O)Nc1ccc2nc(Sc3ccc(Cl)cc3)sc2c1 MOL7157
-COc1ccc(C(N)=O)cc1N=NN(C)C MOL7158
-CCN(C)N=Nc1ccc(C(N)=O)cc1 MOL7159
-Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNC(C)c3ccccc3)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1.O=S(=O)(O)O MOL7160
-COC1CC(N)C(O)C(CN=[N+]=[N-])O1 MOL7161
-FC(F)(F)c1ccc2c3c(c4c(c2n1)OCN(Cc1ccc(Cl)cc1Cl)C4)CN(Cc1ccc(Cl)cc1Cl)CO3 MOL7162
-CC(=O)Nc1ccc(S(=O)(=O)NN=CC(=O)O)cc1 MOL7163
-Nc1cc(C(F)(F)F)ccc1S MOL7164
-CC12CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O MOL7165
-CC(=O)OC1C=C(C=O)C(O)(C=O)C2(C)CCCC(C)(C)C12 MOL7166
-Oc1ncnc2cc3c(cc12)nc1n3CCOC1 MOL7167
-O=S(=O)(SC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 MOL7168
-Cn1nc(-c2ccc(Cl)c(Cl)c2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2 MOL7169
-Cn1nc(C=Cc2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 MOL7170
-Cc1nc2ccccc2nc1CC(=N)c1ccccc1 MOL7171
-CN1C(=O)C(O)(Cc2nccc3ccccc23)c2ccccc21 MOL7172
-CCN(CC)CCN(C)c1ccc(C=Cc2ccnc3ccccc23)cc1.O=C(O)C=CC(=O)O MOL7173
-CCOC(=O)c1cn2ccccc2c(C(C)=O)c1=N MOL7174
-CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=N MOL7175
-C=c1[nH]c(=O)c(=C)[nH]c1=O MOL7176
-CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 MOL7177
-CCSSC12CCCN1C(=O)C1CCCN1C2=O MOL7178
-CCSSC1(C)C(=O)N2CCCC2C(=O)N1C MOL7179
-CCSSC12CCCN1C(=O)C(C)N(C)C2=O MOL7180
-N=C1SC23CCCN2C(=O)C2(CCCN2C3=O)S1 MOL7181
-CN1C(=O)C23CCCN2C(=O)C1(C)SC(=N)S3 MOL7182
-CN1C(=O)C2(C)SSC1(C)C(=O)N2C MOL7183
-CN1C(=O)C2CCCN2C(=O)C1(C)NC(=O)OCc1ccccc1 MOL7184
-CC12CCCN1C(=O)C1(C)CCCN1C2=O MOL7185
-CC(C)(C)N1C(=O)N[N+]2(CCCCC2)C1=O MOL7186
-Cc1ccccc1N1C(=O)N[N+]2(CCCCC2)C1=O MOL7187
-COc1ccc(C2=NNC(=O)OC2c2ccccc2)cc1 MOL7188
-O=C1NNC2CCCCC2O1 MOL7189
-CCOC(=O)C1CC(=NOC(C)=O)c2ccc(OC)c(OC)c2C1 MOL7190
-O=C1c2ccccc2C(=O)c2c(NCCCNCCO)ccc(NCCCNCCO)c21 MOL7191
-COc1ccc(CCNc2ccc(NCCc3ccc(OC)c(OC)c3)c3c2C(=O)c2ccccc2C3=O)cc1OC MOL7192
-CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(O)C(C)=CC32)C2C(C)(C)C12OC(C)=O MOL7193
-CCOC(=O)Nc1ccc2nc(N3CCCCC3)sc2c1 MOL7194
-O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21 MOL7195
-CC(C)n1nnnc1-c1ccccc1 MOL7196
-COC(=O)C1C2COc3ccccc3C2=NC1c1ccc([N+](=O)[O-])cc1 MOL7197
-Sc1cc2c(c3ccccc13)Nc1ccccc1S2 MOL7198
-C=CCn1nnc2ccccc2c1=O MOL7199
-COc1ccc(OC)c(-n2nnc3ccccc3c2=O)c1 MOL7200
-NS(=O)(=O)c1ccc(NN=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1 MOL7201
-Nc1cccnc1O MOL7202
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 MOL7203
-COCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7204
-CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C=Nc2ccc(-c3csc(COc4ccccc4)n3)cc2)cc1 MOL7205
-Cn1c(=O)c2nc(-c3ccccc3)nnc2n(C)c1=O MOL7206
-Cn1c(=O)c2nc(-c3ccccc3)nnc2n(CCO)c1=O MOL7207
-Cc1nn(C)c2nc(=O)n(C)c(=O)c-2[n+]1[O-] MOL7208
-Cn1nc(-c2ccc(Cl)c(Cl)c2)nc2c(=O)n(C)c(=O)nc1-2 MOL7209
-COc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1OC MOL7210
-Cn1nc(-c2ccc3c(c2)OCO3)nc2c(=O)n(C)c(=O)nc1-2 MOL7211
-Cn1nc(-c2ccc(Cl)cc2)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2 MOL7212
-Cn1nc(-c2ccc3c(c2)OCO3)[n+]([O-])c2c(=O)n(C)c(=O)nc1-2 MOL7213
-CN(C)c1ccc(-c2nn(C)c3nc(=O)n(C)c(=O)c-3[n+]2[O-])cc1 MOL7214
-Cn1c(=O)c2c(nnc(-c3ccccc3)[n+]2[O-])n(C)c1=O MOL7215
-CN(C)c1ccc(-c2nnc3c(c(=O)n(C)c(=O)n3C)[n+]2[O-])cc1 MOL7216
-COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2nc1O MOL7217
-CC(=O)Nc1nc(N)nc(NC(C)=O)c1N=O MOL7218
-CC12COC3(C)CCC(C)(OC1)N23 MOL7219
-COc1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3nc2-c2ccc(OC)cc2)cc1 MOL7220
-CN(C)c1ccc(-c2nc3c(=O)n(C)c(=O)n(C)c3nc2-c2ccc(N(C)C)cc2)cc1 MOL7221
-Cn1[nH]c(=N)c2cn(C3OC(COP(=O)(O)O)C(O)C3O)c3ncnc1c23 MOL7222
-Cn1c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)c(Cl)c3)nc2n(C)c1=O MOL7223
-OCCN1OCCCC1c1ccccc1 MOL7224
-CCOC(=O)C1(N=O)CCCCC1=O MOL7225
-c1ccc2c(c1)SCC1COCOC21 MOL7226
-COc1ccc2ccc3c(CCN(C)C#N)cc4c(c3c2c1OC(C)=O)OCO4 MOL7227
-O=C(SCc1c(O)c2ccccc2oc1=O)c1ccccc1 MOL7228
-CC1Cn2c(c(-c3ccccc3)c(=O)[nH]c2=O)O1 MOL7229
-O=C1OC(c2ccccc2)c2cccnc21 MOL7230
-COc1ccc(C2OC(=O)c3ncccc32)cc1 MOL7231
-O=C1NC(=O)N2CC(CI)OC2C1c1ccccc1 MOL7232
-O=C1NC(=O)C2(c3ccccc3)CCN1C2=O MOL7233
-CC(=O)OCC1Cn2c(c(-c3ccccc3)c(=O)[nH]c2=S)O1 MOL7234
-Cc1ccc(S(=O)(=O)CC2(Br)Cc3ccccc3C2=O)cc1 MOL7235
-Cc1ccc(S(=O)(=O)CC2(Br)CCc3ccccc3C2=O)cc1 MOL7236
-O=Nc1cc(S(=O)(=O)O)c2cccnc2c1O MOL7237
-Cc1ccccc1CN1C2=NCCN2C(=O)C2=C1CCN(S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C2 MOL7238
-COc1cc2c(cc1OC)C(C1c3cc(OC)c(OC)cc3-c3c(OC)c(OC)cc4c3C1N(C)CC4)C1c3c(cc(OC)c(OC)c3-2)CCN1C MOL7239
-O=C1CC(=O)NP(=O)(Oc2ccccc2)N1 MOL7240
-O=C1O[Pt-2]2(NC3CCCC3N2)OC1=O MOL7241
-COc1cc2c(cc1O)C(C)Cc1cc3c(cc1N(C)CC2)OCO3 MOL7242
-c1ccc2c(c1)nc1n2CC2(CS1)CSc1nc3ccccc3n1C2 MOL7243
-CCOC(=O)Nc1ccc2nc(N3CCCCCC3)sc2c1 MOL7244
-COc1cc2c(cc1O)C(CSC)Cc1cc3c(cc1N(C)CC2)OCO3 MOL7245
-COc1cc2c(cc1OC)C(CSC)Cc1cc(OC)c(OC)cc1N(C)CCC2 MOL7246
-COc1cc2c(cc1O)C(CSC)Cc1cc(OC)c(OC)cc1N(C)CCC2 MOL7247
-Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1C=Nc1ccc(-c2nc(Cc3ccccc3)sc2C)cc1 MOL7248
-c1ccc([PH](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1 MOL7249
-O=C1C[N+]2(Cc3ccccc3)CCC1CC2 MOL7250
-O=C(Nc1ccccc1)N1CC2(CN1)CNN(C(=O)Nc1ccccc1)C2 MOL7251
-CC(C)CNC12CN3CN(CN(C3)C1)C2 MOL7252
-CC(C)CC1NC(CC(C)C)N2C(CC(C)C)N12 MOL7253
-Cc1ccccc1C1(Br)C(=O)c2ccccc2C1=O MOL7254
-CCc1ccccc1C1(Br)C(=O)c2ccccc2C1=O MOL7255
-Cc1cccc(C2(Br)C(=O)c3ccccc3C2=O)c1 MOL7256
-Cc1ccc(C2(Br)C(=O)c3ccccc3C2=O)cc1 MOL7257
-Cc1cccc(C)c1C1(Cl)C(=O)c2ccccc2C1=O MOL7258
-Cc1cc(C=C2OC(=O)c3ccccc32)cc(C)c1O MOL7259
-Cn1c(=O)c2nc(-c3cccnc3)cnc2n(C)c1=O MOL7260
-COC12CC(O)=C(C(C)=O)C(=O)C1(C)c1c(OC(C)=O)c(C)c(O)c(C(C)=O)c1O2 MOL7261
-FC(F)(F)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7262
-c1ccc(-c2cc3ccc4cccnc4c3o2)cc1 MOL7263
-O=C1c2ccccc2-c2nc3ncccc3cc21 MOL7264
-C=C=Cn1nn[nH]c1=N MOL7265
-N=c1nnn(N)[nH]1 MOL7266
-CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3 MOL7267
-CCOc1nc(C(=O)O)cc2ccsc12 MOL7268
-COc1ccc2c(c1)CSCC2=O MOL7269
-C=C(C)C12CC(C)C34OC(CCCCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14C)O2 MOL7270
-CC(C)C1=CC2=C(C(=O)C1=O)C13CCCC(C)(C)C1CC2OC3=O MOL7271
-CC1(O)c2ccccc2[PH](C)(c2ccccc2)c2ccccc21 MOL7272
-c1c2c(cc3c1OCN(C1CC1)C3)OCN(C1CC1)C2 MOL7273
-COc1ccc2cc3nc(O)cc(O)c3cc2c1OC MOL7274
-NCCC1C2CC3CC(C2)CC1C3 MOL7275
-NCC=C1C2CC3CC(C2)CC1C3 MOL7276
-O=c1c(=Cc2ccccc2)sc2nc(-c3ccccc3)nn12 MOL7277
-COc1ccc(C=c2sc3nc(-c4ccccc4)nn3c2=O)cc1 MOL7278
-N#Cc1ncc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)nc1N MOL7279
-COc1ccc2c(c1)C1CCN(C)CC1OC2=O MOL7280
-C=C1C(=O)OC2C1CC1OC2C(C)CCCC(C)=CCCC1(C)O MOL7281
-O=c1c(=Cc2ccc(Cl)cc2)sc2nc(-c3ccccc3)nn12 MOL7282
-CN(CO)c1nc(N(C)CO)nc(N(C)CO)n1 MOL7283
-COc1ccc2[nH]c(C)cc2c1CN MOL7284
-CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)C12C=Cc1cccc([N+](=O)[O-])c1O2 MOL7285
-O=c1cnn2c(n1)OC1C(O)C(CO)OC12 MOL7286
-CC12CCC3C(CCC4=CC(OC5OC(CO)C(O)C(O)C5O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1 MOL7287
-C=C(C)C(=O)OC1CC(CO)=CC(O)CC(C)=CC2OC(=O)C(=C)C21 MOL7288
-C=C1C(=O)OC2C=C(C)CC(O)C=C(CO)CC(OC(=O)C(C)=CC)C12 MOL7289
-CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1O)C2(C)C31CO1 MOL7290
-OC1(c2ccccc2)CSC2=Nc3ccccc3C3CCN1N23 MOL7291
-COc1cc(C=NC2CCCCC2)cc(OC)c1OC MOL7292
-O=C1CC(C2(c3ccc4c(c3)OCO4)SCCCS2)CO1 MOL7293
-COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2c(OC)c1OC)COC3=O MOL7294
-O=S(Cc1ccc2c(c1)OCO2)c1ccccc1 MOL7295
-CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(COC(=O)c4ccc(OC)c(OC)c4)(C2)C13 MOL7296
-CCCCCCCCCCCCCCCCCCOCC(O)CO MOL7297
-O=C1NC(=O)C2C3C=CC(C12)C1C2C(=O)NC(=O)C2C31 MOL7298
-CC1(C)CC23C4COC(=O)C2CCC1C3CC4=O MOL7299
-COC(=N)CCNC(=O)C(O)C(O)C(=O)NCCC(=N)OC MOL7300
-Nc1c(C(=O)O)sc2ncccc12 MOL7301
-NN1C(=O)CSC1=NNC(=S)N=C1SCC(=O)N1N MOL7302
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(O)C(O)C(C)O1 MOL7303
-CC1CC(C)(C)C2=NCCN21 MOL7304
-Cc1cccc(C)c1N=O MOL7305
-COC(=O)C1OC(OC2=C(c3ccc(OC)cc3)C(=O)C(OC3OC(C(=O)OC)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)=C(c3ccc(OC)cc3)C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL7306
-Cc1ccc(S(=O)(=O)OC2C(O)C(CO)OC2n2c(Br)c(C(N)=O)c3c(N)ncnc32)cc1 MOL7307
-NC(=O)c1c2n(c3ncnc(N)c13)C1OC(CO)C(O)C1S2 MOL7308
-COc1cc2c(cc1O)N=CC1CCC(O)N1C2=O.COc1cc2c(cc1O)N=CC1CCC(O)N1C2=O MOL7309
-Cc1noc(C)c1-c1onc2ccc(Cl)cc12 MOL7310
-COC(=O)C1c2c(C)cc3n2C(C=CC3)C1C(=O)OC MOL7311
-COC(=O)C1c2c(C)cc3n2C(C=C(C)C3)C1C(=O)OC MOL7312
-O=C1CCCCc2scc(C(=O)O)c2N1 MOL7313
-CC(=O)n1nc(C)c(-c2onc3ccc(Cl)cc23)c1C MOL7314
-C=C1C(=O)OC2(C)CCC1CC1OC1(C)CCC=C(C)CCC2O MOL7315
-C=C1CC2(CCS(=O)(=O)c3ccccc32)OC1=O MOL7316
-C=C1CC2(CCOc3ccc(Cl)cc32)OC1=O MOL7317
-C=C1CC2(CCOc3ccccc32)OC1=O MOL7318
-CCN(CC)C(NC)=[Pd-3]1(Cl)C(=O)CC[N+]1(CC)CC MOL7319
-C=C1N(c2nc(Cl)nc(Cl)n2)c2ccccc2C1(C)C MOL7320
-[O-][n+]1c(CCl)nc2ccccc2c1-c1ccccc1F MOL7321
-N#CSCc1nc2ccc(Cl)cc2c(-c2ccccc2)[n+]1[O-] MOL7322
-Cc1cc(C2C(=O)c3ccccc3C2=O)cc(C)c1O MOL7323
-CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OCc2ccccc2)cccc1C3=O MOL7324
-C[N+]12CC[N+](C)(CC1)CC2 MOL7325
-O=C(OCc1ccccc1)C1CCN1C(c1ccccc1)c1ccccc1 MOL7326
-CCOC(=O)c1nn(Cc2ccccc2)c(=S)[nH]c1=O MOL7327
-COc1cc(Cc2nnc(SC)nc2C)cc(OC)c1OC MOL7328
-CSC1=NC(=O)C2(CCCCC2)N(C)N1 MOL7329
-CC1(C)NNC(SCc2ccccc2)=NC1=O MOL7330
-Nc1nnc(Cc2ccccc2[N+](=O)[O-])c(O)n1 MOL7331
-O=C1CC2(C(=O)N1CN1CCCCC1)c1ccccc1-c1ccccc12 MOL7332
-O=C1CC2(C(=O)N1CN1CCOCC1)c1ccccc1-c1ccccc12 MOL7333
-CC(C)(C)C1(C#N)C(=O)N(c2ccc(N3C(=O)C(C#N)(C(C)(C)C)C34c3ccccc3-c3ccccc34)cc2)C12c1ccccc1-c1ccccc12 MOL7334
-CC(C)(C)C1(C#N)C(=O)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 MOL7335
-COc1cc(Cc2nnc(N)nc2N)cc(OC)c1OC MOL7336
-COc1cc(Cc2nnc(Nc3ccccc3)nc2O)cc(OC)c1OC MOL7337
-CC(C)c1nsc(N)c1C(N)=O MOL7338
-CC(C)c1nsc2c1C(=O)NC(C(C)(C)C)N2 MOL7339
-COc1cc(Cc2nnc(N)nc2O)cc(OC)c1OC MOL7340
-COc1ccc2[nH]c3c(c2c1)CCNC3CC(C)CCC=C(C)C MOL7341
-Cc1ccc(NC(=O)NC(=O)CCl)cc1 MOL7342
-CCN(CC)CCC(=O)c1ccccc1 MOL7343
-CC1(Cl)CC2OC3(Br)C=CC(C)(O)C2(CC1Br)C3(C)C MOL7344
-C=C1CCC(OC(C)=O)C2(C)C(OC(C)=O)CC3OC3(C)C2C(OC(C)=O)C2C(C)C(=O)OC2C1Cl MOL7345
-N=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1 MOL7346
-CCCCC1C(=O)N2C=C(c3ccccc3)c3ccccc3N2C1=O MOL7347
-COP(=O)(NN=CC(=O)O)OC MOL7348
-N#CC(=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL7349
-CCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2 MOL7350
-CNC1=Nc2ccc(Cl)cc2C(OP(=O)(N2CCOCC2)N2CCOCC2)=NC1 MOL7351
-O=c1oc2ccccc2n1P(=O)(N1CCOCC1)N1CCOCC1 MOL7352
-O=C(CNN1C(=O)CSC1=Nc1cccc2ccccc12)c1cccc2c1Nc1ccccc1S2 MOL7353
-O=C1CSC(=Nc2ccccc2)N1c1ncccn1 MOL7354
-O=c1oc2c(c(=O)n1-c1ccccc1)CC1(CCCCC1)C2 MOL7355
-CSc1nc(O)c(N)c(C(N)=O)n1 MOL7356
-O=c1oc2nc3ccc(Cl)cc3c(=O)n2c2ccc(Cl)cc12 MOL7357
-O=C(CN1CCCCC1)c1ccc2c(c1)Cc1cc(C(=O)CN3CCCCC3)ccc1O2 MOL7358
-CCN(CC)CC(=O)Nc1ccc(Cl)cc1Cc1ccccc1 MOL7359
-CCN(CC)CC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1 MOL7360
-CCCCCC1c2c(cc(C)nc2O)OC(O)C1CCCC MOL7361
-O=c1nc(Oc2ccccc2)nc2cnccn12 MOL7362
-O=C1CSc2ncccc2N1c1ccc([N+](=O)[O-])cn1 MOL7363
-O=c1sc2ncccc2n1-c1ccc([N+](=O)[O-])cn1 MOL7364
-Cn1c(=O)c2cc(O)cnc2n(C)c1=O MOL7365
-N#CN=CN1CCN(c2ccccn2)CC1 MOL7366
-CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)C=CC(=O)O MOL7367
-CN(C)CCCC12OC(c3ccccc31)C(O)c1ccccc12 MOL7368
-O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1 MOL7369
-CC(=O)C=C(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL7370
-C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(O)C2=O)c2ccccc21 MOL7371
-CN1C(=O)C2(Cc3cn(C45CC67SSC(CO)(C(=O)N6C4Nc4ccccc45)N(C)C7=O)c4ccccc34)SSC1(CO)C(=O)N2C MOL7372
-NC1=c2nc[nH]c2=NS(=O)(O)=N1 MOL7373
-N=C1NS(=O)(=O)N=C2NON=C12 MOL7374
-O=CC(O)C(O)C(O)C1O[Pt-2]2(NC3CCCCC3N2)OC1=O MOL7375
-O=CC(O)C(O)C(O)C(O)C(=O)O[Pt-2]1(OC(=O)C(O)C(O)C(O)C(O)C=O)NC2CCCCC2N1 MOL7376
-Cc1[nH]c(NC(=O)C(=O)O)c(C#N)c1C MOL7377
-Cc1oc(NC(=O)C(=O)O)c(C#N)c1C MOL7378
-C1CCC(NC2CCCCC2)CC1.CSCCC(NP(=S)(c1ccccc1)c1ccccc1)C(=O)O MOL7379
-Clc1ccc(C2NCCNCc3ccccc32)cc1 MOL7380
-O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O MOL7381
-Cc1ccc(S(=O)(=O)SC(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 MOL7382
-Clc1cccc2nn3ccnc3n12 MOL7383
-C=C1C(=O)OC2C=C(CCC(C)=O)C(C)C(OC(C)=O)CC12 MOL7384
-CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C MOL7385
-Cc1c([N+](=O)[O-])oc2c1C(=O)N([N+](=O)[O-])CCC2 MOL7386
-Cc1c([N+](=O)[O-])oc2c1C(=O)NCCC2 MOL7387
-NNC1=Nc2ccccc2N=C2CCSCC21 MOL7388
-c1ccc2c(c1)NC1=C(CSCC1)c1nncn1-2 MOL7389
-C1=CC2=[S+][Zn-2]3(ON2C=C1)ON1C=CC=CC1=[S+]3 MOL7390
-Cc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3 MOL7391
-CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 MOL7392
-CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1 MOL7393
-O=c1oc2c3c4c(cc2c2c1CCC2)CCCN4CCC3 MOL7394
-CC(C)=CC(=O)OC1C2C(C)=CC(=O)C(O)C2(C)C2C3(O)OCC24C(CC(=O)OC14)C(C)C3O MOL7395
-Cc1cc(C)[s+]s1 MOL7396
-Cc1cc(-c2ccccc2)[s+]s1 MOL7397
-CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C)OC(Nc2ncnc3c2ncn3C)C(O)C1O MOL7398
-N[Ru-4](N)(N)(Cl)(Cl)Cl MOL7399
-CC(=O)OC1C=CC(SC23CC4CC(CC(C4)C2)C3)N(C(C)=O)C1SC12CC3CC(CC(C3)C1)C2 MOL7400
-c1c[se]c(-c2nc3ccccc3[nH]2)c1 MOL7401
-Cc1ccccc1N1C(=O)CC2(CCCC2)C1=O MOL7402
-O=C1CC2(CCCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 MOL7403
-CC(C)N=C1CCCC1C(=S)SSC(=S)C1CCCC1=NC(C)C MOL7404
-S=C(SSC(=S)C1CCCC1=NC1CCCCC1)C1CCCC1=NC1CCCCC1 MOL7405
-O=C1CCCC1=C1SSC(=C2CCCC2=O)S1 MOL7406
-O=C1C(=C2CCCC2)CCC1=C1SSC(=C2CCC(=C3CCCC3)C2=O)S1 MOL7407
-CC1=NN(c2ccccc2)C(=O)C1=C1SSC(=C2C(=O)N(c3ccccc3)N=C2C)S1 MOL7408
-S=C(Nc1ccc(N=Nc2ccccc2)cc1)SCc1ccc2c(c1)OCO2 MOL7409
-CC(=O)OC1N(C(C)=O)C(SC23CC4CC(CC(C4)C2)C3)C(C)=CC1(C)OC(C)=O MOL7410
-CC(=O)NC(=CC=CCC=O)SC12CC3CC(CC(C3)C1)C2 MOL7411
-CC(=O)OC1C=CN(C(C)=O)C(SC(C)(C)C)C1(C)O MOL7412
-Cc1[nH]cc2c1C(c1ccccc1)=NCC(=O)N2 MOL7413
-Cc1c2c(cn1C)NC(=O)CN=C2c1ccccc1 MOL7414
-CCc1c2c(c(C)n1C)C(c1ccccc1)=NCC(=O)N2 MOL7415
-Cc1[nH]cc2c1C(c1ccccc1F)=NCC(=O)N2 MOL7416
-COc1ccc(Oc2c(OC)cc(NCCCCCN3C(=O)c4ccccc4C3=O)c3ncccc23)cc1 MOL7417
-COc1ccc(Oc2c(OC)cc(NCc3ccc(CN)cc3)c3ncccc23)cc1.O=C(O)C=CC(=O)O MOL7418
-CS(=O)(=O)O.N=C(N)c1ccc2oc(C=Cc3cc4cc(C(=N)N)ccc4o3)cc2c1 MOL7419
-COc1ccc(SSc2ccc(OC)n[n+]2[O-])[n+]([O-])n1 MOL7420
-CC(NC(=O)OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O MOL7421
-CC(C)CC(NC(=O)OCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O MOL7422
-NCC1CCC(C(=O)O)CC1 MOL7423
-CC1=CC2OC3CC4OC(=O)C=CC=CC(=O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1 MOL7424
-C[n+]1[se]c2ccccc2c1Cl MOL7425
-Clc1c2ccccc2[se][n+]1Cc1ccccc1 MOL7426
-Clc1c2ccccc2[se][n+]1-c1ccccc1 MOL7427
-COCN1C(=O)CN=C(c2ccccc2)c2cc(NO)ccc21 MOL7428
-O=c1cc2cccccc-2o1 MOL7429
-Cc1cc(C)c2cc(=O)oc-2c(C)c1 MOL7430
-Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cnnn4)C3SC2)s1 MOL7431
-O=C(NCCCl)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL7432
-CCC(CCl)NC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL7433
-CCC(CO)NC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL7434
-O=C1NCCN1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL7435
-O=CC(CO)OC(C=O)c1cnc(O)nc1O MOL7436
-Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CN MOL7437
-CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1 MOL7438
-O=C1c2ccncc2C(=O)c2c(O)ccc(O)c21 MOL7439
-C=CC(C)(C)C12CC3C(=O)NC(=Cc4c[nH]cn4)C(=O)N3C1Nc1ccccc12 MOL7440
-O=C1C2=Nc3ccccc3C(O)N2c2ccccc21 MOL7441
-COCc1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 MOL7442
-C=C(C)C(=O)OC1CC2=CC(CC3(C)OC3C3OC(=O)C(=C)C13)OC2=O MOL7443
-CCN(CC)c1nc(NC2CCCCC2)c2nc(N(CC)CC)nc(NC3CCCCC3)c2n1 MOL7444
-CCN(C)c1nc(N(C)CC)c2nc(N(C)CC)nc(N(C)CC)c2n1 MOL7445
-Cc1ncc2c(n1)-c1ccccc1OC2O MOL7446
-Cc1c(C)c2c(c3c1OC(C)(C)CC3)CCC(C)(C)O2 MOL7447
-CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CCCCCc7c6[nH]c6ccccc76)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32 MOL7448
-CC1(C)CCCC2(C)C1CCC1(C)OC3=CC(=O)C(O)=CC3=CC12 MOL7449
-c1cc2c(c(CC3CO3)c1CC1CO1)OCCOCCOCCOCCO2 MOL7450
-COC1CC(CC2CCC(C)C(C(C)C(=O)O)O2)OC2(OC(C)(C3CCC(C)(C4OC(C5OC(O)(CO)C(C)CC5C)CC4C)O3)CC2C)C1C MOL7451
-c1ccc2c(c1)cnc1c3ccccc3nn21 MOL7452
-Cl[Pt-2]12NCCS[S+]1CCN2 MOL7453
-Cl[Pd-2]12NCCS[S+]1CCN2 MOL7454
-CCN(CC)CCCC(C)Nc1cc(C=Cc2ccc(Cl)cc2)nc2cc(N(C)C)ccc12 MOL7455
-COP1(=O)OC(C)=C(C)c2cccn21 MOL7456
-CCCCCCCCCCNC1CC(OC2CC(O)(C(O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O MOL7457
-C1=C(c2ccccc2)SC(N2CCCCC2)S1 MOL7458
-c1ccc([As](c2ccccc2)c2ccccc2[Bi](c2ccccc2)c2ccccc2)cc1 MOL7459
-CCn1c2ccc(C(=O)CCCN(C)C)cc2c2cc(C(=O)CCCN(C)C)ccc21.O=C(O)C=CC(=O)O MOL7460
-CCn1c2ccc(C(=O)CCCN3CCCCC3)cc2c2cc(C(=O)CCCN3CCCCC3)ccc21 MOL7461
-CCCN(CCC)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCCN(CCC)CCC)cc3c2c1 MOL7462
-CCCCN(CCCC)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCCN(CCCC)CCCC)cc3c2c1 MOL7463
-c1cc2sc3ccc(OCCCN4CCCCC4)cc3c2cc1OCCCN1CCCCC1 MOL7464
-Cc1cccc(-n2nc3c(=O)n(C)c(=O)n(C)c3nc2=O)c1 MOL7465
-COc1cc(OC)c(OC)cc1C=NNC(=O)NN=Cc1cc(OC)c(OC)cc1OC MOL7466
-O=[N+]([O-])c1nccn1CC(O)CF MOL7467
-CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12 MOL7468
-N=C(N)SCc1cccc2c(=O)cc(-c3ccccc3)oc12 MOL7469
-CC1OC(CC(=O)O)Cc2c(O)c3c(c(O)c21)C(=O)C=C(C1=CC(=O)c2c(O)c4c(c(O)c2C1=O)CC(CC(=O)O)OC4C)C3=O MOL7470
-CC(=O)OC1CC2CCC3C(CCC4(C)C3CC([N+]3(C)CCCCC3)C4OC(C)=O)C2(C)CC1[N+]1(C)CCCCC1 MOL7471
-CN(C)CCC1(C)OCCC2=C1Cc1ccccc12 MOL7472
-O=C(O)c1cc(=O)c2cc3c(cc2o1)OCc1ccccc1-3 MOL7473
-CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc(O)cc21 MOL7474
-COc1ccc2c(c1)C(C)(C)Oc1cc3oc(C(=O)O)cc(=O)c3cc1-2 MOL7475
-CCOC(=O)c1c(C)cc(C)nc1S[Sn](Br)(Br)Sc1nc(C)cc(C)c1C(=O)OCC MOL7476
-Cc1ccc2c(c1)N=Cc1ccccc1O2 MOL7477
-Clc1ccc2c(c1)Oc1ccccc1C=N2 MOL7478
-Oc1cc(OCCCc2ccc(F)cc2)cc2ccc3ccccc3c12 MOL7479
-O=C1OCCCCOC(=O)c2ccccc2SSc2ccccc21 MOL7480
-O=C1OCCCCCCOC(=O)c2ccccc2SSc2ccccc21 MOL7481
-O=C1OCCOCCOCCOC(=O)c2ccccc2SSc2ccccc21 MOL7482
-N=C(N)N1CCNc2ccccc2C1.O=[N+]([O-])O MOL7483
-Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C3(Sc4ccccc4N3C)C2=O)cc1 MOL7484
-O=C1OC(C(=O)O)c2ccc3c(c21)OCO3 MOL7485
-CCOC(=O)c1c(OCCCc2ccc(F)cc2)cc2ccc3ccccc3c2c1OCCCc1ccc(F)cc1 MOL7486
-CN1C(=O)C23SSC1(C)C(=O)N2c1ccccc1C3(C)C MOL7487
-CCOC(=O)C(C#N)=C1c2ccccc2C(=O)C1(Cl)C(N)=O MOL7488
-Cc1ccc(-n2nc3c(c(C#N)c2=O)-c2ccccc2C3=O)cc1 MOL7489
-CC(C(=O)O)c1ccc2c(c1)Cc1ccccc1-2 MOL7490
-COc1ccc(C2=CC(=C3C(=O)C=C(C)OC3=O)SS2)cc1 MOL7491
-O=C1Oc2ccccc2C(=O)C1=C1C=C(c2ccccc2)SS1 MOL7492
-COc1ccc(C2=CC(=C3C(=O)Oc4ccccc4C3=O)SS2)cc1 MOL7493
-O=C1Oc2ccccc2C(=O)C1=C1SSC(c2ccccc2)=C1c1ccccc1 MOL7494
-CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21 MOL7495
-Cc1cc2c(c(=O)o1)C1=S(SC(c3ccccc3)=C1)S2 MOL7496
-CCCOCC(=O)OC MOL7497
-CCCCCOCC(=O)OC MOL7498
-CCCCCCOCC(=O)O MOL7499
-O=C(NN=Cc1cccc(O)c1O)NN=Cc1cccc(O)c1O MOL7500
-Cc1nnc(Cc2ccccc2)c2[nH]nc(C)c12 MOL7501
-COc1ccc(Cc2nnc(C)c3c(C)n[nH]c23)cc1 MOL7502
-COc1ccc(Cc2nnc(C)c3c(C)n[nH]c23)cc1OC MOL7503
-O=C1OC(Cc2ccccc2)=C(Cl)C(Cl)(Cc2ccccc2)C1Cl MOL7504
-CN1C(=O)Cn2c(n[nH]c(=O)c2=O)-c2cc(Cl)ccc21 MOL7505
-CN1C(=O)Cn2c(nn(Cc3ccccc3)c(=O)c2=O)-c2cc(Cl)ccc21 MOL7506
-CN(C)CCn1nc2n(c(=O)c1=O)CC(=O)N(C)c1ccc(Cl)cc1-2 MOL7507
-CN(C)P(=O)(N(C)C)N(C)C.C[Sn](C)(Cl)Cl MOL7508
-CCCN(CCC)c1nc2ccc(NC(=O)OCC)cc2s1 MOL7509
-Cc1cc(Cl)n2nc(-c3ccc(Cl)cc3)nc2n1 MOL7510
-COC1=CC2C3Cc4c(-c5cc(OC)c(O)c6c5CC5C7C=C(OC)C(=O)CC67CCN5C)cc(OC)c(O)c4C2(CCN3C)CC1=O MOL7511
-CC(C)=CCc1cc(C2COc3cc4c(c(O)c3C2=O)C=CC(C)(C)O4)c(O)cc1O MOL7512
-Cc1nc2nc3n(c(=O)c2nc1C)CCS3 MOL7513
-CC(=O)Oc1cc(C)cc2ccc(-c3ccc4cc(C)cc(OC(C)=O)c4c3OC(C)=O)c(OC(C)=O)c12 MOL7514
-COc1cc(OCc2ccccc2)c(O)cc1-c1coc2cc(OCc3ccccc3)ccc2c1=O MOL7515
-C=CC(C)(C)C1Oc2cc(O)ccc2C(=O)C1c1ccc(OC)c(OC)c1O MOL7516
-COc1cc(-c2coc3cc(O)ccc3c2=O)c(O)c(OC)c1OC MOL7517
-COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3OCc3ccccc3)coc2c1 MOL7518
-COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1OC MOL7519
-O=c1oc(-c2ccccc2Br)ns1 MOL7520
-COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC.COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC MOL7521
-COc1cccc2c1N(COC(C)=O)C(=O)C1C=CC(C)(C)OC21 MOL7522
-CC(C)C1=C(O)C(=O)C2=C(C1=O)C(O)CC1C(C)(C)CCCC21C MOL7523
-C=C1C(=O)OC2C=C(C)C3OC3C=C(C(=O)OC)C(OC(C)=O)C(OC(=O)C(C)(O)C(C)OC(C)=O)C12 MOL7524
-C=C1C(=O)OC2C1C(OC(=O)C1(C)OC1C)C(OC(C)=O)C(C(=O)OC)=CCCC1(C)OC21 MOL7525
-CCCCCCCCCCCCN(O)C(=O)c1ccccc1 MOL7526
-O=c1c2cc3ccccc3n2c(=O)c2cc3ccccc3n12 MOL7527
-Cn1c(=O)c2c(ncn2CC(=O)NN=C2SCC(=O)N2Cc2ccccc2)n(C)c1=O MOL7528
-O=C1C=C(Br)C(=O)C(Br)=C1 MOL7529
-O=c1n(-c2ccccc2)c(=O)n2c(=O)n(-c3ccccc3)c(=O)n12 MOL7530
-O=c1oc(-c2ccccc2)nnc1-c1ccccc1 MOL7531
-COC(=O)C(=C(C)C=O)N1C(=O)C(NC(=O)c2ccccc2)C1SSc1nc2ccccc2s1 MOL7532
-O=C(C=C(SSC(=CC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 MOL7533
-COC(=N)CCSSCCC(=N)OC MOL7534
-N=C1N=C2OC3C(O)C(CO)OC3N2CN1 MOL7535
-O=C1c2cc(Cl)ccc2OC2CCON12 MOL7536
-O=C1c2cc(Br)ccc2OC2CCON12 MOL7537
-O=c1c2ccc(Cl)cc2nc2n1OCC2 MOL7538
-CC1CCOn2c1nc1ccccc1c2=O MOL7539
-CN1[PH](F)(F)[Fe]23(C#[O+])(C#[O+])C(=O)[Fe]2(C#[O+])(C#[O+])([PH]1(F)F)[PH](F)(F)N(C)[PH]3(F)F MOL7540
-C=C1OC(OC)CC(N)C1O MOL7541
-CC1=CC2OC3C(O)C(O)C(C)(C2(COC(=O)CCl)CC1)C31CO1 MOL7542
-C=C(C)C1CCC2(CO)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL7543
-CN1CCC23c4c5cc(-c6cc7c8c(c6O)OC6C(O)C=CC9C(C7)N(C)CCC896)c(O)c4OC2C(O)C=CC3C1C5.CS(=O)(=O)O MOL7544
-CCCCNCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(N)=O)C3O)c3c[nH]cn3)C(C)O)n2)n1.O=S(=O)(O)O MOL7545
-O=C1C2CCC(N1CCc1ccccc1)n1c(=O)n(-c3ccccc3)c(=O)n12 MOL7546
-CN1C(=O)C2CCC1n1c(=O)n(-c3ccccc3)c(=O)n12 MOL7547
-O=C1C2CCC(N1c1ccc(F)cc1)n1c(=O)n(-c3ccccc3)c(=O)n12 MOL7548
-Cc1cc(O)nc2cc(N(C)C)ccc12 MOL7549
-CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NCCO MOL7550
-O=C1NC(O)c2ccccc2O1 MOL7551
-CC1(O)C=CC(=O)C=C1 MOL7552
-Cc1ccc2c(c1)C(=O)C(Cl)(C(Cl)c1ccccc1)S2 MOL7553
-Clc1ccc(-n2cnn3c(-c4ccccc4)ncc23)cc1 MOL7554
-CN1C(=O)c2ccccc2Cc2c(Cl)ncnc21 MOL7555
-CN1C(=O)c2ccccc2Cc2c(NCc3ccccc3)ncnc21 MOL7556
-CN1C(=O)c2ccccc2Cc2c(N3CCCC3)ncnc21 MOL7557
-CN(C)c1ncnc2c1Cc1ccccc1C(=O)N2C MOL7558
-C1OC2OCC1O2 MOL7559
-NC1=NS(=O)(O)=NC(N)=C1N=Nc1ccccc1 MOL7560
-NC1=NS(=O)(O)=NC(N)=C1N=Nc1cccc(Cl)c1 MOL7561
-NC1=NS(=O)(O)=NC(N)=C1N=Nc1ccc([N+](=O)[O-])cc1 MOL7562
-N=C1NS(=O)(=O)Nc2nn(-c3ccccc3)nc21 MOL7563
-NC(CC(C(=O)O)c1ccccc1)C(=O)O MOL7564
-NC(CCC(=O)O)(C(=O)O)c1ccccc1 MOL7565
-CC(CC(=O)O)C(N)C(=O)O MOL7566
-NC(C(=O)O)C(CC(=O)O)c1ccccc1 MOL7567
-CCOC(=O)C1=CNN=CC12C(=O)C(C(=O)OCC)CC2C(=O)OCC MOL7568
-COc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC(=O)N1CCOCC1 MOL7569
-CCN=C(CC(=O)C12CC3CC(CC(C3)C1)C2)N(CC)CC MOL7570
-C1CSCCSCCSCCS1 MOL7571
-C1CSCCSCCSCCSCCSCCS1 MOL7572
-C1CSCCSCCCSCCSCCCSCCSC1 MOL7573
-C1CCSCCCCCSCCCCCSCCCCCSCC1 MOL7574
-Cc1c(C)[n+]([O-])c2cc(C=[N+]([O-])CCO)ccc2[n+]1[O-] MOL7575
-COc1ccc2c(c1OC)C13CCCCC1C(C2)N(C)CC3.Cl MOL7576
-CCN1CC2(C)CCC(OC)C34C5CC6CCC(O)(C5C(=O)O6)C(C(O)C23)C14 MOL7577
-C=C1C2CCC3C(CCC4C5(C)CCCC43C3OCCN3C5)(C2)C1OC(C)=O MOL7578
-C=C1CC23CC4C5C6(C)CC(O)CC57C(C2C(O)C1C(O)C37)N4C6 MOL7579
-COC1C2CC3C4(CCC5C6(C)CCCC53C(C14)N(C)C6)CC21CCC23C4C=C5C6=C(CCC5(CC42)C3O1)C1(C)CC(C6)CN(C)C1 MOL7580
-CN1CC2CC3=C(CCC45CC6C(C=C34)C63CCC4(CC67CCC8C9(C)CCCC8%10C(C6CC4CC7%10)N(C)C9)OC53)C(C)(C2)C1 MOL7581
-COCC12CCC(OC)C34C5CC6(O)C(OC)C=C(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2 MOL7582
-CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C=C(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(OC)C23)C14 MOL7583
-Nc1ncnc2c1ncn2C1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC21 MOL7584
-Cc1ccc2c(c1)sc1nncn12 MOL7585
-Cc1ccc2c(c1)sc1n[nH]c(=S)n12 MOL7586
-Cc1ccc2c(c1)sc1nnc(Cl)n12 MOL7587
-CSc1nnc2sc3cc(C)ccc3n12 MOL7588
-Cc1ccc2c(c1)sc1nnc(S(C)(=O)=O)n12 MOL7589
-Cc1ccc2c(c1)sc1nnc(C)n12 MOL7590
-Cc1cc(C)c2c(c1)sc1nncn12 MOL7591
-Cc1cc(C)c2c(c1)sc1n[nH]c(=S)n12 MOL7592
-C1CSCCCSCCCSCCCSC1 MOL7593
-Nc1ncnc2c1ncn2C1OC(CO)C2NP(=O)(N(CCCl)CCCl)OC21 MOL7594
-CN1C(=O)C(=O)N2c3ccc(Cl)cc3C3(c4ccccc4)N=CC12O3 MOL7595
-CCOC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O MOL7596
-Cc1cc(NCCO)nc2c1ccc1ccccc12 MOL7597
-COc1ccc2c(c1)c(OC)c(CC(O)C(C)(C)O)c(=O)n2C MOL7598
-O=C1COC(c2ccccc2O)=NN1CCCl MOL7599
-O=C1COC(c2ccccc2O)=NN1Cc1ccccc1 MOL7600
-O=C1COC(c2ccccc2O)=NN1CCN1CCOCC1 MOL7601
-O=c1[n-][n+](C2OC(CO)C(O)C2O)c2ccccn12 MOL7602
-C=C1C2CCC3(CCC4C5(C)CCCC4(C=[N+](CCO)C5)C3C2)C1O MOL7603
-c1ccc(N2C3Sc4ncccc4C2Sc2ncccc23)cc1 MOL7604
-O=C1COC(c2ccccc2O)=NN1CCCN1CCCC1 MOL7605
-Cc1ccc(NCCNCCO)c2c(=O)c3ccccc3sc12 MOL7606
-O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1 MOL7607
-Cc1nnc2sc(C=Cc3ccccc3)nn12 MOL7608
-NCCCNCCSP(=O)(O)O MOL7609
-CC(C)OC1CC(C)(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 MOL7610
-Cc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(C)cc4S(=O)(=O)O)c2C3=O)c(S(=O)(=O)O)c1 MOL7611
-COc1ccc(C(=NN)C2=NNC3(CCCCC3)NN2)cc1 MOL7612
-Cc1cc(=O)n2c(nc3ccccc32)s1 MOL7613
-Cc1ccc2c(c1)nc1sc(C)cc(=O)n12 MOL7614
-Cc1cc(=O)n2c(nc3cc(Cl)ccc32)s1 MOL7615
-Cc1cc(=O)n2c(nc3cc([N+](=O)[O-])ccc32)s1 MOL7616
-CC(C)S(=O)(=O)c1s[nH]c(=O)c1-c1ccccc1 MOL7617
-O=C(O)c1ccccc1SSC(=S)N1CCOCC1 MOL7618
-Clc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1 MOL7619
-Clc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 MOL7620
-COc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 MOL7621
-Clc1ccc(CN2COc3c(ccc4cccnc34)C2)c(Cl)c1 MOL7622
-Fc1ccc(CN2COc3c(ccc4cccnc34)C2)cc1 MOL7623
-Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1Cl MOL7624
-Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1 MOL7625
-Clc1ccccc1CN1COc2c(ccc3cccnc23)C1 MOL7626
-Clc1cc2c(c3ncccc13)OCN(Cc1ccccc1)C2 MOL7627
-COc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1 MOL7628
-Clc1cc2c(c3ncccc13)OCN(CCc1ccccc1)C2 MOL7629
-Fc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1 MOL7630
-Fc1ccccc1CN1COc2c(cc(Cl)c3cccnc23)C1 MOL7631
-Clc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)c(Cl)c1 MOL7632
-Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1Cl MOL7633
-Clc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1 MOL7634
-c1ccc(CN2COc3c(ccc4ccccc34)C2)cc1 MOL7635
-COc1ccc(CN2COc3c(ccc4ccccc34)C2)cc1 MOL7636
-COc1[nH]c(C(O)C2OC(C)(C)OCC2O)nc1C#N MOL7637
-Cc1cc(=O)n2c(nc3cc(C)c(C)cc32)s1 MOL7638
-CC1=CC(=O)N2CCN=C2S1 MOL7639
-COc1[nH]c(C(O)C2OC(C)(C)OCC2O)nc1C#N MOL7640
-Cc1cc(C)c(SSc2nnnn2C)c(C)c1 MOL7641
-Cc1cc(C)c(SSc2nnnn2-c2ccccc2)c(C)c1 MOL7642
-Cc1ccc(SSc2nnnn2C)cc1 MOL7643
-Cc1cc(C)c(S(=O)(=O)Sc2nnnn2C)c(C)c1 MOL7644
-Cc1cc(C)c(S(=O)(=O)Sc2nnnn2-c2ccccc2)c(C)c1 MOL7645
-Cc1ccc(S(=O)(=O)Sc2nnnn2C)cc1 MOL7646
-Cc1ccc(S(=O)(=O)Sc2nnnn2-c2ccccc2)cc1 MOL7647
-CS1(=O)=NC(=N)c2ccccc21 MOL7648
-CS1(=O)=NC(=NC#N)c2ccccc21 MOL7649
-N#CN=C1N=S(=O)(c2ccccc2)c2ccccc21 MOL7650
-CS1(=O)=NC(=NC(=O)Nc2ccccc2)c2ccccc21 MOL7651
-C=CCNC(=S)N=C1N=S(C)(=O)c2ccccc21 MOL7652
-CC1CC2Oc3ccc(Cl)cc3C(=O)N2O1 MOL7653
-Clc1ccccc1CN1COc2c(ccc3ccccc23)C1 MOL7654
-COc1ccc2[nH]c3cc4c(=O)c5cc(OC)ccc5[nH]c4cc3c(=O)c2c1 MOL7655
-CCOC(=O)c1cc(Cl)cc2c(=O)c3c(O)c4[nH]c5c(C(=O)OCC)cc(Cl)cc5c(=O)c4c(O)c3[nH]c12 MOL7656
-O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1 MOL7657
-O=C1OCCOCCSCCOCCOC(=O)c2cccc1n2 MOL7658
-O=C1OCCSCCOCCSCCOC(=O)c2cccc1n2 MOL7659
-O=C1OCCOCCOCCOCCOCCOCCOC(=O)c2cccc1n2 MOL7660
-O=C1OCCOCCOCCOCCOC(=O)c2cccc1c2 MOL7661
-O=c1c2c([nH]n1-c1ccccc1)-c1ccccc1CS2 MOL7662
-O=c1[nH][nH]c2c1SCc1ccccc1-2 MOL7663
-CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 MOL7664
-CN(C)C(=S)N=c1ssc(=NC(=S)N(C)C)n1-c1ccccc1 MOL7665
-CN(C)C(=S)N=c1ssc(=NC(=S)N(C)C)n1-c1ccc([N+](=O)[O-])cc1 MOL7666
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Br)cn1 MOL7667
-O=C(NC(=O)c1c(F)cccc1F)Nc1ncc(Cl)cc1Cl MOL7668
-O=C(NC(=O)c1c(F)cccc1F)Nc1ncc(Br)cc1Br MOL7669
-CN(C)C12CCCCCCC1S(=O)(=O)C2 MOL7670
-COc1ccc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc1 MOL7671
-CC(C)N1C(=O)C(C#N)=C(c2ccccc2)SC1c1ccccc1 MOL7672
-CC(C)N=c1sc(-c2ccccc2)c(C#N)c(=O)n1C(C)C MOL7673
-COC1=CC(O)(CC(N)=O)c2ccccc2C1=O MOL7674
-COC1=CC2C3Cc4c(-c5cc(OC)c(O)c6c5CC5C7C=C(OC)C(=O)CC67CCN5C)cc(OC)c(O)c4C2(CCN3C)CC1=O MOL7675
-COC1=CC2C3Cc4c(-c5cc(OC)c(O)c6c5CC5C7C=C(OC)C(=O)CC67CCN5C)cc(OC)c(O)c4C2(CCN3C)CC1=O.O=C(O)C(O)C(O)C(=O)O MOL7676
-C[c-]1nc2ccccc2c(C(=O)NO)[n+]1=O MOL7677
-S=C(c1cc(Br)ccc1Br)N1CN2CCN(C2)C1 MOL7678
-CC12C=C3CC(OC(=O)c4ccccc4)CCC3(O1)c1ccccc12 MOL7679
-COc1cc2c(cc1OC)C13CCC(O)CC1=CC2(C)O3 MOL7680
-CC(C)(C)N1CC1CNC(=O)C(=O)NCC1CN1C(C)(C)C MOL7681
-COc1ccc(C2(c3ccc(OC)cc3)N=NC3(C)CC32)cc1 MOL7682
-C[S+](C)c1ccccc1NC(C)(C)C.O=C(O)C(F)(F)F MOL7683
-CSC1(CC(=O)N(C)C)C(=O)Nc2ccccc21 MOL7684
-CSC1(CC(=O)N2CCCCC2)C(=O)Nc2ccccc21 MOL7685
-CN1C(=O)CC(Sc2ccccc2)c2ccccc21 MOL7686
-CN1C(=O)CC(Sc2ccccc2)c2cc(Cl)ccc21 MOL7687
-O=C(CC1(O)C(=O)N(CN2CCCCC2)c2ccccc21)c1ccccc1 MOL7688
-S=C1Cc2[nH]c(=S)sc(=S)c2C(=S)N1 MOL7689
-S=C1SC2(CCCC2)NC2=C1CCC2 MOL7690
-N#CC(C(=N)c1ccccc1)=C1SSC(=C(C#N)C(=N)c2ccccc2)S1 MOL7691
-O=c1c(Cl)c2cc3c(cc2c2ccccc12)nc1cccnc1n3C1CCCCC1 MOL7692
-CC1=NNB(O)c2sccc21 MOL7693
-NC1C2CC3CC(C2)CC1(N)C3 MOL7694
-CC[As](CC)SCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL7695
-CCC1=C(c2ccc(OC)cc2)CCC2(CCNC2)C1C MOL7696
-N#CC1=C(C#N)CCC2(C#N)C3C=CC(O3)C2(C#N)CC1 MOL7697
-CCOc1ccc2nc3cc(N=Nc4ccc5c(N)c6cc(OCC)ccc6nc5c4)ccc3c(N)c2c1 MOL7698
-C=C(C)CN1C(=O)C(C)SC1=NN=C1SCC(=O)N1C MOL7699
-O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O MOL7700
-CCCC1(CC(=O)O)OCCc2c1[nH]c1ccccc21 MOL7701
-COCN(COC)c1nc(CCC(Br)(Br)Br)nc(N(COC)COC)n1 MOL7702
-O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21 MOL7703
-COc1cc2c[n+]3ccc4cc(OC)c(OC)cc4c3cc2cc1O MOL7704
-FC(F)(F)c1cccc(N(c2nc(Cl)nc(Cl)n2)c2nc(Cl)nc(Cl)n2)c1 MOL7705
-CC1=CSC2=NCCCCN12 MOL7706
-CCCOC(=O)Nc1ccc2nc(N(C)C)sc2c1 MOL7707
-CCOC(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1 MOL7708
-Cc1c2cccc1CSCc1cccc(c1C)CSC2 MOL7709
-COC(=O)c1cc2c(C(=O)OC)cc1CSCc1cccc(c1)CSC2 MOL7710
-C=C1C(=O)OC2C=C(CO)C(OC(C)=O)CC(O)C(C)=CC(OC(=O)C(C)CC)C12 MOL7711
-CNc1ccc(F)cc1SSc1cc(F)ccc1NC MOL7712
-CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 MOL7713
-CN(C)CCNC(c1ccccc1)C(O)c1ccccc1 MOL7714
-NCCCCNC(c1ccccc1)C(O)c1ccccc1 MOL7715
-Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(OC=O)c3ccccc3)C2SC1 MOL7716
-CC(C)(C)c1cc(C(C)(C)O)c2c(c1)C(C)(C)OS2(C)Cl MOL7717
-O=C(O)c1ccccc1P12(OC(=O)c3ccccc31)OC(=O)c1ccccc12 MOL7718
-COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] MOL7719
-CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1 MOL7720
-C=C(OC1C(C)=C2C(C1OC(=O)CCCCCCC)C(C)(OC(C)=O)CC(OC(=O)CCC)C1(O)C2OC(=O)C1(C)O)C(C)=CC MOL7721
-CCOC(=O)Cc1csc2nc(-c3ccccc3)nn12 MOL7722
-CCOC(=O)C(=NO)C1=CSC2=NNC(C)(C)N12 MOL7723
-O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1 MOL7724
-N=c1ccn2c(n1)OC1C(OC(=O)C34CC5CC(CC(C5)C3)C4)C(COC(=O)C34CC5CC(CC(C5)C3)C4)OC12 MOL7725
-Cc1cnc2c(c1)CCCC2C(N)=S MOL7726
-CN(C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL7727
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1 MOL7728
-COC(=O)Nc1nc(O)c2cc(SC)ccc2n1 MOL7729
-CC12OC3(C)c4ccccc4OP3(c3ccccc3)(Oc3ccccc31)O2 MOL7730
-O=c1c(=CC=Cc2ccccc2)sc2n1CCN=2 MOL7731
-COCCCNC1=C(C#N)C(=O)NC(c2cccc([N+](=O)[O-])c2)S1 MOL7732
-COCCCNC1=C(C#N)C(=O)NC2(CCCC2)S1 MOL7733
-COc1ccccc1N=C1SCC(=O)N1Cc1ccco1 MOL7734
-CN(C)CCOc1cccc2c1C(=O)c1ccccc1C2=O MOL7735
-CCN1C(=O)C(N2CCCCC2)SC1=CC(=O)O MOL7736
-CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1CC MOL7737
-CN(C)P1(=O)OCC(C(C)(C)C)CN1c1ccccc1 MOL7738
-O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 MOL7739
-O=S1(=O)C(c2ccccc2)=C(O)c2cc3ccccc3nc21 MOL7740
-O=S1(=O)C(c2cccc(F)c2)=C(O)c2cc3ccccc3nc21 MOL7741
-O=S1(=O)C(c2ccc(F)cc2)=C(O)c2cc3ccccc3nc21 MOL7742
-OC1(c2cccc(Cl)c2)C2=NCCCN2c2ccccc21 MOL7743
-O=S1(=O)C(c2cccc(C(F)(F)F)c2)=C(O)c2cc3ccccc3nc21 MOL7744
-O=S(=O)(O)O.O=[N+]([O-])c1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1 MOL7745
-O=C1OC2CSCC2O1 MOL7746
-O=C1OC2CS(=O)CC2O1 MOL7747
-CC(=O)OC1SCC2OC(=O)OC21 MOL7748
-O=C1OC2CS(=O)CC2O1 MOL7749
-CC(=O)OC1SC(OC(C)=O)C2OC(=O)OC12 MOL7750
-CC1(C)CCC(c2cc(O)c3c(c2O)C(=O)C=CC3=O)O1 MOL7751
-O=C(Cn1ccnc1[N+](=O)[O-])NCCO MOL7752
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(OC)C(C)O1 MOL7753
-C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)CCC23C)C1.C=CC1(C)CCC2C(=CCC3C2(C)CC(O)C(O)C3(C)COC2OC(C(=O)O)C(O)C(O)C2O)C1 MOL7754
-CCC(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)CC(=O)NC(C)C(=O)NC(CC(C)C)C(O)CC(=O)O)C(C)C)C(C)C MOL7755
-CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(CO)C(O)c1ccccc1 MOL7756
-CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(C)(C)CO MOL7757
-CC[N+]1(CC)CCC(=O)[Pd-2]1(Cl)NC(CO)CC(C)C MOL7758
-Sc1ccc2ccccc2[n+]1[Ni-4](Cl)(Cl)([n+]1c(S)ccc2ccccc21)([n+]1c(S)ccc2ccccc21)[n+]1c(S)ccc2ccccc21 MOL7759
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 MOL7760
-CCOC1(NC(=O)N(C)C)C2CCCCC21 MOL7761
-CCCCCC#CC1OC12CCCCC2 MOL7762
-CCOC1(NC(=O)N(C)C)C2CCCC21 MOL7763
-C=C1C(=O)OC2C=C(COC(C)=O)CCC(OC(C)=O)C3=CC(OC3=O)C12 MOL7764
-COc1ccc(C)cc1C(=C=C=C=C(c1cc(C)ccc1OC)c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1 MOL7765
-CC(C)(Cc1ccccc1)C(=C=C=C=C(c1ccccc1)C(C)(C)Cc1ccccc1)c1ccccc1 MOL7766
-CC(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C MOL7767
-CCCC(C)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)=O MOL7768
-CN(C)C(=O)NC1(N(C)C)CC1 MOL7769
-CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1.F[B-](F)(F)F MOL7770
-CC1(C)NC(=N)NC(=N)N1c1cccc(N)c1 MOL7771
-COc1ccc(-c2csc(=[N+]3CCCCC3)s2)cc1.O=S(=O)(O)O MOL7772
-O=C1CC2(C(=O)O1)C1C(=O)OC(=O)C1C1c3ccccc3C=NN12 MOL7773
-O=C1CC2(C(=O)O1)C1C(=O)OC(=O)C1C1C=CC=NN12 MOL7774
-C1=NCCNc2nc3ccccc3cc2C=NCCNc2nc3ccccc3cc21 MOL7775
-CSc1nc2cc(Cl)ccc2c2c1C=NCCN2 MOL7776
-Cn1c2ccccc2c(=S)c2c(O)cc3c(c21)C=CC(C)(C)O3 MOL7777
-CC[Sn](Cl)(Cl)CC MOL7778
-CCNC(=O)Nc1ccc(Cl)cn1 MOL7779
-O=C(Cn1ccnc1[N+](=O)[O-])c1ccccc1 MOL7780
-C1C[N+]23CCC[N+]2(C1)CCC3.F[B-](F)(F)F MOL7781
-OCCC[N+]12CCCN1CCC2 MOL7782
-NCC(SSC(CN)C(=O)O)C(=O)O MOL7783
-CC(=O)Nc1cc(NC(C)=O)c(N=O)c(NC(C)=O)n1 MOL7784
-CC(C)(CO)C(O)C(=O)NCCCO MOL7785
-NC(=O)c1n[nH]c(C2OC(CO)C(O)C2O)n1 MOL7786
-Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=[N+]([O-])C2 MOL7787
-CCOC(=O)c1cn(C)c2c1C(O)=C(C(=O)OC)CC(=O)N2 MOL7788
-CCOC(=O)c1cn(C)c2c1C(=O)C(C(=O)OCC)CCN2C(=O)OCC MOL7789
-CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1 MOL7790
-CC1(c2cc(Cl)c(Cl)cc2Cl)NC(=O)NC1=O MOL7791
-O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 MOL7792
-COC(=O)C1(Cc2ccccc2)N=C(c2ccccc2)OO1 MOL7793
-COc1ccc(-c2noc(=O)c3ccccc23)cc1 MOL7794
-NC(CCCCNCC(N)C(=O)O)C(=O)O MOL7795
-CCC[N+]([O-])=Cc1ccc([N+](=O)[O-])o1 MOL7796
-O=[N+]([O-])c1ccc(C=[N+]([O-])CCO)o1 MOL7797
-CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1 MOL7798
-C[Si](C)(C)OC=C1CCOC1=O MOL7799
-CC1(CO)C(O)CCC2(C)C1CCC1CC3CC12CCC3(O)COC(=O)CN MOL7800
-COc1ccc(C2=NC(c3ccccc3)N3C(c4ccccc4)NC(c4ccccc4)C2C3c2ccccc2)cc1 MOL7801
-CCOC(=O)CCCCCNc1nc(Cl)nc(Cl)n1 MOL7802
-CC(C)[N+](C)(C)CC(O)COc1cccc2ccccc12 MOL7803
-CCOC(=O)C(N)CSC(=O)NC MOL7804
-CCC(c1ccccc1)c1noc(CCN(CC)CC)n1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL7805
-Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)C3SC2)s1 MOL7806
-CCn1c(=O)[nH]c(=O)c2conc21 MOL7807
-C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2s1 MOL7808
-CCC12C[N+]3([O-])CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2 MOL7809
-Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(OC1OC(C)C(N)C(O)C1O)C(O)c1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1c[nH]cn1 MOL7810
-S=c1sc(-c2ccccc2)c[se]1 MOL7811
-COc1ccc(-c2c[se]c(=S)s2)cc1 MOL7812
-CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3 MOL7813
-COc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1 MOL7814
-c1ccc(-c2c[se]nn2)cc1 MOL7815
-N=c1[nH]nc[se]1 MOL7816
-C=C1C2CCC3(C4CC5C6(C)CCCC5(C(O4)N(CCO)C6)C3C2)C1O MOL7817
-CCN1CC2(OC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C1C(CC23)C1(O)CC(OC)C2CC4C1(O)C2OC MOL7818
-C=C1C2CCC3C(CCC4C5(C)CCCC43C3OCCN3C5)(C2)C1O MOL7819
-N=c1[nH]c2cc([N+](=O)[O-])cnc2s1 MOL7820
-COC(OC)C(C)=NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 MOL7821
-C[N+]12CN3CN(CP(C3)C1)C2 MOL7822
-C[N+]12CN3CN(C1)CP(=O)(C3)C2 MOL7823
-C=C1C(C)C2C(Cc3ccccc3)NC(=O)C23C(OC(C)=O)C=CC(C)(O)CC(C)CC=CC3C1O MOL7824
-Cc1cc2c(cc1Br)C1(C)CCC(C)C1(C)O2 MOL7825
-O=C1OC(=O)C2C1C(c1ccc(Cl)cc1)N1C3C(=O)OC(=O)C3C(c3ccc(Cl)cc3)N21 MOL7826
-O=C1OC(=O)C2C1C(c1ccc([N+](=O)[O-])cc1)N1C3C(=O)OC(=O)C3C(c3ccc([N+](=O)[O-])cc3)N21 MOL7827
-O=C(O)C1C(C(=O)O)N2C(c3ccccc3)C(C(=O)O)C(C(=O)O)N2C1c1ccccc1 MOL7828
-COc1cc2c(cc1O)C1C(O)C(O)C=C3CCN(C2)C31 MOL7829
-COC1OC2C(CO)OC(n3ncc4c3ncn3cnnc43)C2O1 MOL7830
-COc1nc(N)c2c3c([nH]c2c1C#N)C(C)(C)c1ccccc1N3C MOL7831
-CCn1c2c(c3ccccc31)CCSC2(C)CCN(C)C MOL7832
-CCN(CC)c1c(C)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 MOL7833
-Cc1cc(C)c2nc3c(c(C(O)C4CCCCN4)c2c1)CCC3=Cc1ccc(Cl)cc1 MOL7834
-O=S(=O)(c1ccccc1)N1CC2(CN(S(=O)(=O)c3ccccc3)c3ccccc31)CN(S(=O)(=O)c1ccccc1)c1ccccc1N(S(=O)(=O)c1ccccc1)C2 MOL7835
-CCN(CC)c1c(C)nnc2c(-c3ccccc3)cnn12 MOL7836
-CCN(CC)c1c(-c2ccccc2)nnc2c3ccccc3nn12 MOL7837
-COC1C=CC=C(C)C(=O)NC2=CC(=O)C=C(C2=O)C(OC)C(C)CC(OC)C(OC)C(C)C=C(C)C1OC(N)=O MOL7838
-CP1(=O)CC(=O)CCCCC(=O)C1 MOL7839
-C[PH]1(C)CCc2c1ccc1ccccc21 MOL7840
-COc1ccc2c(c1)CCC1=C2C=C[PH]1(C)C MOL7841
-O=C1NC(O)c2cc(CO)ccc2O1 MOL7842
-CCCCCCOC(=O)Nc1nnc(SSC2=NN=CC2NC(=O)OCCCCCC)s1 MOL7843
-CCCCCCCCCCCCCCCCNCCCS(=O)(=O)O MOL7844
-CCCCCSSSCCCCC MOL7845
-CCCCCCCCCCCCSSSCCCCCCCCCCCC MOL7846
-ClC(Cl)(Cl)SSC(=Nc1ccccc1)SSC(Cl)(Cl)Cl MOL7847
-Cc1ccc(N=C(SSC(Cl)(Cl)Cl)SSC(Cl)(Cl)Cl)cc1 MOL7848
-Cc1ccc(SSC(=S)Nc2ccccc2)cc1 MOL7849
-O=S(=O)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 MOL7850
-O=S(=O)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 MOL7851
-O=Nc1cnc(O)nc1O MOL7852
-O=C(CC(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccccn2)CC1 MOL7853
-Cn1ccc(=NN=c2ccn(C)c3ccccc23)c2ccccc21 MOL7854
-CC[Sn]1(CC)OC2C(O)OC(CO)C(O)C2O1 MOL7855
-CC1=CCCC2C1(C)CCC(C)C2(C)Cc1cc(O)ccc1O MOL7856
-O=C(O)c1cnc2cc(O)ccc2c1O MOL7857
-C1=NCCN=Cc2ccccc2NCCNc2ccccc21 MOL7858
-N#CC1=C(C#N)N=Cc2ccccc2NCCNc2ccccc2C=N1 MOL7859
-C1=Nc2ccccc2N=Cc2ccccc2NCCNc2ccccc21 MOL7860
-Cc1ccc(NC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)c(C)c1 MOL7861
-CC1=NC(=O)CC2=C1C(C)N(Cc1ccccc1)C2=O MOL7862
-CCOC(=O)C=C(C)NCCSSCCNC(C)=CC(=O)OCC MOL7863
-CC12CC(=O)NC(=O)N1CCS2 MOL7864
-CC(=O)OCCSSCCOC(C)=O MOL7865
-Clc1nc(Cl)nc(N2CCCc3ccccc32)n1 MOL7866
-COc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O MOL7867
-COc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O MOL7868
-CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O MOL7869
-Nc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O MOL7870
-CC1(C)CCCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1 MOL7871
-CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(c2ccc(Sc3ccccc3)cc2)C1 MOL7872
-S=C1CC(c2ccc(Sc3ccccc3)cc2)=Nc2ccccc2N1 MOL7873
-CN1C(=O)NC2(C1=O)C(=O)N(C)C(=O)N2C MOL7874
-Nc1ccc(Cn2ccc3c4c(N)nc(N)nc4ccc32)cc1 MOL7875
-Cc1ccc2c(c1)SSc1ccc(C)cc1SS2 MOL7876
-O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3 MOL7877
-O=S1(=O)Cc2ccccc21 MOL7878
-CC=C=CCN(C)Cc1ccccc1.O=C(O)C(=O)O MOL7879
-CC(C)=C=CCN(C)Cc1ccccc1.O=C(O)C(=O)O MOL7880
-CC=C=C(C)CN MOL7881
-COC(=O)C(C)NC1=C(Cl)C(=O)C(NC(C)C(=O)OC)=C(Cl)C1=O MOL7882
-Sc1sc2ccccc2[n+]1[Rh-4](Cl)(Cl)([n+]1c(S)sc2ccccc21)([n+]1c(S)sc2ccccc21)[n+]1c(S)sc2ccccc21 MOL7883
-COc1cc2c(cc1OC)C(c1ccc(N=Cc3ccc(N(C)C)cc3)cc1)N(C(=S)Nc1cc(Cl)ccc1Cl)CC2 MOL7884
-S=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2-n2cccc2C1c1cccnc1 MOL7885
-Clc1cccc(NC2=NCCN=C(Nc3cccc(Cl)c3Cl)SS2)c1Cl MOL7886
-Fc1ccc(NC2=NCCN=C(Nc3ccc(F)cc3)SS2)cc1 MOL7887
-FC(F)(F)c1cc(NC2=NCCN=C(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)SS2)cc(C(F)(F)F)c1 MOL7888
-Clc1ccc(NC2=NCCN=C(Nc3ccc(Cl)cc3)SS2)cc1 MOL7889
-Clc1ccc(NC2=NCCN=C(Nc3ccc(Cl)c(Cl)c3)SS2)cc1Cl MOL7890
-Clc1cccc(NC2=NCCN=C(Nc3cccc(Cl)c3)SS2)c1 MOL7891
-O=[As](O)(O)O MOL7892
-CCN(CC)CCN(CC)CC(=O)Nc1ccccc1Cl MOL7893
-O=C(NCCCCCCNC(=O)NCc1ccco1)NCc1ccco1 MOL7894
-CN(C)C1C(O)=C(C(=O)NCN2CCOB(c3ccccc3)OCC2)C(=O)C2(O)C(O)=C3C(=O)C4C(O)=CC=CC4C(C)(O)C3CC12 MOL7895
-CC1COB(c2ccccc2)OCC(C)N1CNC(=O)C1=C(O)C(N(C)C)C2CC3C(=C(O)C2(O)C1=O)C(=O)C1C(O)=CC=CC1C3(C)O MOL7896
-O=C1NS(=O)(=O)C2C(Cl)=C(Cl)C3(Cl)C2C13Cl MOL7897
-O=C1C[N+]23CC[N+]45CC(=O)O[Ca-4]24(O1)(OC(=O)C3)OC(=O)C5 MOL7898
-CCC(=O)C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL7899
-CC(C)(C)c1ccc(OP(=S)(NN)Oc2ccc(C(C)(C)C)cc2)cc1 MOL7900
-COS(=O)(=O)O.C[S+](C)c1ccc(Cl)cc1 MOL7901
-Cn1c(=O)c2nc(-c3ccc(Cl)cc3)oc2n(C)c1=O MOL7902
-C=C1SC(=Nc2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C MOL7903
-Fc1ccc(N(c2nc(Cl)nc(Cl)n2)c2nc(Cl)nc(Cl)n2)cc1 MOL7904
-C=C1SC(=Nc2c(C)cccc2C)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 MOL7905
-C=C1SC(=Nc2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 MOL7906
-C=C1SC(=Nc2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C1(C)C MOL7907
-C=C1SC(=Nc2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 MOL7908
-N#CC(=Cc1c(Cl)cccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 MOL7909
-CC1N=C(SCC(=O)c2ccc(Cl)cc2)N2C(C)N=C(SCC(=O)c3ccc(Cl)cc3)N12 MOL7910
-CC1N=C(SCc2ccc(Cl)cc2)N2C(C)N=C(SCc3ccc(Cl)cc3)N12 MOL7911
-CC1N=C(SCC(=O)c2ccc(F)cc2)N2C(C)N=C(SCC(=O)c3ccc(F)cc3)N12 MOL7912
-O=C1CCCC(C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 MOL7913
-O=C(CC(c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1)c1ccccc1 MOL7914
-O=C1CCC(C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 MOL7915
-CC(CC(=O)c1ccccc1)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 MOL7916
-C(=C(Sc1ccccc1)Sc1ccccc1)C(Sc1ccccc1)c1ccccc1 MOL7917
-CC(C)CC(N)C(=O)NC(C(N)=O)c1ccc(O)cc1.[Na]Cl MOL7918
-Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCSCCCSCC2)cc1 MOL7919
-C1CNCCSCCCSCCNC1 MOL7920
-O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 MOL7921
-COC1=CC(=O)C(O)=C(CC2(C)C(C)CCC3(C)C2CCCC3(C)C)C1=O MOL7922
-COC(=O)Nc1cn2ccc(Sc3ccccc3)cc2n1 MOL7923
-COC(=O)Nc1cn2ccc(C(Cl)=C(Cl)Cl)cc2n1 MOL7924
-COC(=O)Nc1cn2cc(C(=O)c3cccs3)ccc2n1 MOL7925
-O=C1c2ccccc2S(=O)(=O)c2cc(-c3nnn[nH]3)ccc21 MOL7926
-S=C1NC2=S(N=C(Nc3ccccc3)N2c2ccccc2)S1 MOL7927
-CC1=CC(=O)N2Cc3cc(Cl)ccc3N=C2N1 MOL7928
-CSCC1(O)CCCCC1 MOL7929
-CC(=O)OC1(CSc2ccccc2)CCCCC1 MOL7930
-CC(Sc1ccccc1)C(=O)N1CCCC1 MOL7931
-CC(=O)N(O)c1ccc(Cl)cc1 MOL7932
-CC(=O)N(O)c1ccccc1-c1ccccc1 MOL7933
-N#Cc1ccc(N(O)C(=O)c2ccccc2)cc1 MOL7934
-O=P12OP(=O)(O[Pd-2]3(NCCN3)O1)O[Pd-2]1(NCCN1)O2 MOL7935
-CC1(O)P2(=O)O[Pd-2]3(NCCN3)OP1(=O)O[Pd-2]1(NCCN1)O2 MOL7936
-CC(=O)OC1COC2OC3C(C(C=O)=CC(O)C4C5=C(C(C)C)CCC5(C)CCC34C)C2(O)C1=O MOL7937
-O=[N+]([O-])C(F)(COC(=S)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] MOL7938
-O=C(OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-] MOL7939
-O=C(c1ccccc1)C(SSC(C(=O)c1ccccc1)C(=O)c1ccccc1)C(=O)c1ccccc1 MOL7940
-CC(=O)NC(C(=O)O)C(C)(C)SN=O MOL7941
-O=C1NC(=O)c2c3ccc(c21)CCc1ccc(c2c1C(=O)NC2=O)CC3 MOL7942
-O=C1NC2CSC(CCCCC(=O)N(CCP(c3ccccc3)c3ccccc3)CCP(c3ccccc3)c3ccccc3)C2N1 MOL7943
-Cc1cc(NCCCCCCNc2cc(C)nc3cc(N(C)C)ccc23)c2ccc(N(C)C)cc2n1 MOL7944
-O=C(O)P(=O)(O)O MOL7945
-COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2[nH]1 MOL7946
-O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1 MOL7947
-O=C(Cn1ccnc1[N+](=O)[O-])N(CCO)CCO MOL7948
-CCOC(=O)c1sc(SSc2sc(C(=O)OCC)c(C)c2[N+](=O)[O-])c([N+](=O)[O-])c1C MOL7949
-COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 MOL7950
-Cc1nnc2n1N=C1CC(C)(C)CC(=O)C1S2 MOL7951
-CC1(C)CC2=Nn3c(nnc3C(F)(F)F)SC2=C(O)C1 MOL7952
-O=C1Cc2ccccc2N1C1c2ccccc2C=Cc2ccccc21 MOL7953
-O=C(O)c1cc(Br)cc(SSc2cc(Br)cc(C(=O)O)c2O)c1O MOL7954
-CN(C)P1(=O)NCC(C(C)(C)C)CO1.CN(C)P1(=O)NCC(C(C)(C)C)CO1 MOL7955
-CN(C)P1(=S)NCC(C(C)(C)C)CO1.CN(C)P1(=S)NCC(C(C)(C)C)CO1 MOL7956
-C=CC[N+](CC)(CC)Cc1ccc(C[N+](CC)(CC)CC=C)cc1 MOL7957
-CN(C)c1ccc2c3c(c(=O)oc2c1)CCC3 MOL7958
-C[Si](C)(C)OC=C1CCCCC1=O MOL7959
-CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 MOL7960
-N#CNC(=Nc1cccnc1)NCC1CCCO1 MOL7961
-CC1CCC2(OC2(C)C)C(=O)C1 MOL7962
-COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)S2)cc1 MOL7963
-Clc1ccc(CN2CCCN(Cc3ccc(Cl)c(Cl)c3)S2)cc1Cl MOL7964
-O=C1c2ccccc2C(=O)c2c(O)c(NCCNCCO)cc(O)c21 MOL7965
-O=C1c2ccccc2C(=O)c2c(O)c(NCCCNCCO)cc(O)c21 MOL7966
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCCO)ccc(NCCCCO)c21 MOL7967
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCO)ccc(NCCCO)c21 MOL7968
-CC1(C)CCCC2C1=NOC2O MOL7969
-O=C(O)CCC(=O)NCCOC(=O)CCC(=O)O MOL7970
-O=[N+]([O-])c1cc(Br)cc2c1[nH]c1nc3ccc(C(F)(F)F)cc3nc12 MOL7971
-S=C(Oc1ccccc1)SSC(=S)Oc1ccccc1 MOL7972
-CC1c2c(cc(OC(=O)c3cccc(S(=O)(=O)F)c3)nc2OC(=O)c2cccc(S(=O)(=O)F)c2)C(=O)N1Cc1ccccc1 MOL7973
-O=C1CSC(=S)N1N1C(=O)CSC1=S MOL7974
-CCOC(=O)NN(C(=O)OCC)C(=C(C1CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC MOL7975
-CCOC(=O)NN(C(=O)OCC)C(C(=O)C1CCCCC1)N(NC(=O)OCC)C(=O)OCC MOL7976
-N=c1ccn2c(n1)OC1C(O)C(CCl)OC12 MOL7977
-CC(=NNC(=S)N1CCCCCC1)c1ccccn1 MOL7978
-N#Cc1c(Br)n(C2OC(CO)C(O)C2O)c2ncn3ccnc3c12 MOL7979
-N#CC(=Cc1cc(Cl)cc(Cl)c1O)c1nc2ccccc2[nH]1 MOL7980
-N#CC(=Cc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 MOL7981
-CCSc1ccc2c3c(cccc13)C(=O)N(CCc1ccccn1)C2=O MOL7982
-Cc1c2c(C#N)nccc2c(C)c2c1c1ccccc1n2Cc1ccccc1 MOL7983
-COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1 MOL7984
-COc1cccc(C2NC(=O)c3c([nH][nH]c3=N)S2)c1O MOL7985
-COc1cc2oc3ccccc3c(=O)c2cc1CSc1ccccc1N MOL7986
-CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])s1 MOL7987
-Cc1c2ccnc(C#N)c2c(C)c2c1[nH]c1ccccc12 MOL7988
-Cc1[nH]nc(-c2ccon2)c1N=O MOL7989
-CC1C(=O)C(C)C(c2ccccc2)NC1c1ccccc1 MOL7990
-CC(=NNC(=S)N(C)C)c1ccccn1 MOL7991
-CC(=NNC(=S)N1CCC1)c1ccccn1 MOL7992
-CN(C)c1nc(N(C)C)n2nc(-c3ccccc3[N+](=O)[O-])nc2n1 MOL7993
-CN(C)c1nc(N(C)C)n2c(-c3ccccc3[N+](=O)[O-])nnc2n1 MOL7994
-O=[N+]([O-])c1ccccc1-c1nc2nc(N3CCOCC3)nc(N3CCOCC3)n2n1 MOL7995
-CC(=O)OCC12CCC(C)=CC1OC1C3(O)N=C(C)OC3C2(C)C12CO2 MOL7996
-Cc1nnc2sc3c(Cl)c4nn5c(C)nnc5sc4c(Cl)c3nn12 MOL7997
-Cc1nnc2n1N=C(c1ccc(O)c(O)c1O)CS2 MOL7998
-CCc1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 MOL7999
-CCc1nnc2sc3c(Cl)c4nn5c(CC)nnc5sc4c(Cl)c3nn12 MOL8000
-Oc1ccccc1-c1nnc2sc3c(Cl)c4nn5c(-c6ccccc6O)nnc5sc4c(Cl)c3nn12 MOL8001
-Oc1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 MOL8002
-COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)C(F)(F)F)CC2 MOL8003
-Cc1c2c(C(N)=O)nccc2c(C)c2c1c1ccccc1n2Cc1ccccc1 MOL8004
-Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2 MOL8005
-Cc1ccc(S(=O)(=O)NC(=O)OC23COCN2COC3)cc1 MOL8006
-COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NC3CC3)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O MOL8007
-COC1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCCl)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O MOL8008
-CC1C2=C(C(=O)N1Cc1ccccc1)C(C1OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C1OC(=O)c1ccccc1)C(=O)N(C)C2=O MOL8009
-CCOC(=O)C(=C(N)C1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C2OC(C)(C)OC12)C1CC(=O)N(C)C1=O MOL8010
-O=C(O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2 MOL8011
-CN(C)CCNC(=O)c1nn(-c2ccccc2)c2c1CSc1ccccc1-2 MOL8012
-COC(=O)c1noc2c1CSc1ccccc1-2 MOL8013
-CN(C)CCNC(=O)c1noc2c1CSc1ccccc1-2 MOL8014
-CCc1nnc2c3cc4ccccc4n3cnn12 MOL8015
-O=C(O)CCC(=O)NCCNC(=O)CCC(=O)O MOL8016
-O=C(O)CCC(=O)OCCNCCOC(=O)CCC(=O)O MOL8017
-CC(=O)Oc1cc(C)c(Cl)c2c(OC(C)=O)cc(C(C)=O)c(O)c12 MOL8018
-Cc1ccc2nc(NC(=S)NCCCCNC(=S)Nc3ccc4cc(C)ccc4n3)ccc2c1 MOL8019
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCCCO)ccc(NCCCCCO)c21 MOL8020
-COc1ccc(C(=O)CC2(O)C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)cc1 MOL8021
-Clc1cc2c(c(CSc3nc4ccccc4n4cccc34)c1)OCOC2 MOL8022
-O=C1CSC(=Nc2ccccc2F)N1c1ccccc1F MOL8023
-CCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2 MOL8024
-CCOc1cc2c(cc1Cc1ccc(OC)cc1)OCO2 MOL8025
-CCC1(O)C(=O)OCc2c1cc(-c1ccc(Cl)cc1)nc2OC MOL8026
-COc1ccc2c(c1[N+](=O)[O-])CCC1C2CCC2(C)C(=O)CCC12 MOL8027
-NC(=S)NN=CC12CC3CC(CC(C3)C1)C2 MOL8028
-Fc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL8029
-Fc1ccccc1C=NC12CC3CC(CC(C3)C1)C2 MOL8030
-O=C1CN(N2C(=O)CSC2C23CC4CC(CC(C4)C2)C3)C(=O)CN1c1ccccc1 MOL8031
-CCN(CC)CCC(=O)c1ccccc1 MOL8032
-O=C(Nc1ccc(Cl)cc1)OCC12COCN1COC2 MOL8033
-O=C1C2=C(C(=O)c3c(O)ccc(O)c31)C(O)C(O)C(O)C2 MOL8034
-CC1(O)CC2=C(CC1O)C(=O)c1c(O)ccc(O)c1C2=O MOL8035
-COc1ccc(-c2nnc3sc4c5ccccc5ccc4n23)cc1 MOL8036
-O=P1(c2ccccc2)OCC2=C(c3ccccc3)CC2=C1c1ccccc1 MOL8037
-Cc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1 MOL8038
-CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1 MOL8039
-CC(=NNC(=[Se])N1CC2CCC(CC2)C1)c1ccccn1 MOL8040
-O=[N+]([O-])c1cnc(-c2ccc(F)cc2)n1CCO MOL8041
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(N=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl MOL8042
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc1cc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)Nc5cc(C)nc(C)n5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)nc(C)n1 MOL8043
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.Cc1nnc(NS(=O)(=O)c2ccc(N=Nc3cc(N=Nc4ccc(S(=O)(=O)Nc5nnc(C)s5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)s1 MOL8044
-O=C1NC(=O)C2(CCC(O)C2)c2ccncc21 MOL8045
-COc1ccccc1C1C(C#N)C(=O)NC(=O)C1C#N MOL8046
-CCCC[As](CCCC)SC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1 MOL8047
-COc1cc2cc[n+](C)c(Cc3ccc(Oc4cc(Cc5c6cc(OC)c(OC)cc6cc[n+]5C)ccc4OC)cc3)c2cc1OC MOL8048
-CC12CC(OC(=O)C1(C)O)C(C1(O)CCC3C4CC5OC56C(O)C=CC(=O)C6(C)C4CCC31C)C2 MOL8049
-CC(=O)OCc1ccc2c(c1)C(O)NC(=O)O2 MOL8050
-C=C1C(C2(C)C=CC(=O)OC3(C)COC(=O)CC32)C(OC=O)C(OC(=O)C(O)C(C)CC)C2(C)C(c3ccoc3)CC(OC(C)=O)C12O MOL8051
-CC1=CNC(C#N)=C(C#N)N=CC(C)=CNC(C#N)=C(C#N)N=C1 MOL8052
-O=C(NO)c1ccc(O)c(O)c1 MOL8053
-CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC MOL8054
-CCOC(=O)Nc1nc(=O)n(-c2ccc3ccccc3n2)[nH]1 MOL8055
-CC1=NN(c2cccc(S(=O)(=O)O)c2)C2=[O+][Cr]3(O)Oc4c(cc(Cl)cc4S(=O)(=O)O)N=[N+]3C12 MOL8056
-CC(=O)c1cc(-c2ccccn2)c(=O)n2ccccc12 MOL8057
-CCOC(=O)c1cc(-c2ccccn2)c(=O)n2ccccc12 MOL8058
-O=C(c1cccnc1)c1cc(-c2ccccn2)c(=O)n2ccccc12 MOL8059
-CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C2CSSCC(NC1=O)C(=O)N2 MOL8060
-C=C1C(=O)OC2C=CCCCC12 MOL8061
-CC1=[N+]2[N-]C(N3CCCCCC3)=[S+][Cu-3]2(Cl)[n+]2ccccc21 MOL8062
-CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(-c2ccc(N=Nc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c(S(=O)(=O)O)c2)cc1 MOL8063
-Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O MOL8064
-CC(N)C(=O)NC1C2C(=C(O)CC(O)C2O)C(=O)OC1(C)C(Cl)Cl MOL8065
-O=C(O)Cc1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12 MOL8066
-CCOC(=O)Cc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12 MOL8067
-CCOC(=O)Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 MOL8068
-O=C(O)Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 MOL8069
-COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)C(C)C)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2OC MOL8070
-CCOC(=O)C1([Bi](C)C)N=NC(C(=O)OC)=C1C(=O)OC MOL8071
-CCN(CC)CC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CN(CC)CC)cc(C)nc21 MOL8072
-CCN(CC)CCCC(C)Nc1cc(C)nc2c1ccc1c2ccc2c(NC(C)CCCN(CC)CC)cc(C)nc21 MOL8073
-CC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(C(=O)O)CC1 MOL8074
-COC1=C(C)C(=O)C2=C(C1=O)C1C3CC4=C(C(=O)C(OC)=C(C)C4=O)C(CNC(=O)C(C)=O)N3C(C#N)C(C2)N1C MOL8075
-c1cnc2c(c1)Sc1ncccc1S2 MOL8076
-Clc1ncccc1SSc1cccnc1Cl MOL8077
-CCCCCCCCCCCCCCCC[n+]1ccc2c(c1)Sc1cc[n+](CCCCCCCCCCCCCCCC)cc1S2 MOL8078
-NC(CNC(=O)CBr)C(=O)O MOL8079
-Cc1ccc2nc(-c3ccc4nc(-c5ccc(N=Nc6ccc(-c7nc8ccc(-c9nc%10ccc(C)c(S(=O)(=O)O)c%10s9)cc8s7)cc6)cc5)sc4c3)sc2c1S(=O)(=O)O MOL8080
-O=C(O)C1=CC(=C(c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O MOL8081
-CCCCS(=N)(=O)CCC(N)C(=O)O MOL8082
-O=c1c2c([nH]c3c1ccc1[nH]c4c(c(=O)c13)CCCC4)CCCC2 MOL8083
-C#CCSc1nnnn1-c1ccccc1 MOL8084
-Clc1cc2nc[nH]c2cc1Cl MOL8085
-COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)C(C(=O)N(C)C)C3c2ccccc2)cc1 MOL8086
-CCOC(=O)c1ccc(NC(=O)Nc2ncccc2C)cc1 MOL8087
-CCOC(=O)c1ccc(NC(=O)Nc2ncc(Cl)cc2Cl)cc1 MOL8088
-CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1 MOL8089
-COc1ccc(-c2cc[n+]([O-])c(C)c2C)c(OC)c1OC MOL8090
-O=C1CCC(=O)N2c3ccccc3-c3ccccc3N12 MOL8091
-CC1(C)OCC2OC3(CO)NP(=O)(N(CCCl)CCCl)OC3C2O1 MOL8092
-N=C1NC2(CS1)CSC(=N)N2 MOL8093
-N=c1[nH]c2c(-c3ccc([N+](=O)[O-])cc3)nnn2c2ccccc12 MOL8094
-COc1cc(CCNC(C)=O)cc(OC)c1OC MOL8095
-O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)c(Cl)c1 MOL8096
-CCn1c(=O)c2ncnnc2n(CC)c1=O MOL8097
-[Li]Cl MOL8098
-CC(=O)Nc1nnc(SSc2nnc(NC(C)=O)s2)s1 MOL8099
-CS(=O)(=O)c1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 MOL8100
-Cc1ccc2nc(NC(=S)SSC(=S)Nc3nc4ccc(C)cc4s3)sc2c1 MOL8101
-COC(=O)C1(C)OS(=O)(=O)c2ccccc21 MOL8102
-O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2cc3ccccc3n21 MOL8103
-O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2O)C1O MOL8104
-NC1(N2SC(S)=C3CCCC=C32)CCCCC1 MOL8105
-Sc1snc2c1CCC2 MOL8106
-CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CP(=O)(c1ccccc1)CC3 MOL8107
-CC(CN(C)C)C(=O)c1ccccc1 MOL8108
-CCCCNC(=NP(=O)(NCCCC)NCCCC)NC MOL8109
-COC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1 MOL8110
-CC(=N)C(C#N)C(=S)S MOL8111
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCC4CCCO4)C3=O)N1CC1NC12 MOL8112
-COC(=O)C1=C(C)NC2(C)SC1C(C)C2C(=O)OC MOL8113
-CCOC(=O)c1cc2sc(NC(=O)c3ccco3)nc2o1 MOL8114
-CCOC(=O)Nc1nc2cc(C(=O)OC)n(C)c2s1 MOL8115
-CCOC(=O)N=c1sc(NC(=O)OCC)nc2ccn(C)c12 MOL8116
-O=C(N=c1nc2ccccn2s1)c1ccccc1 MOL8117
-O=c1nc(Nc2cccc(Cl)c2)oc2cc(Cl)oc(=O)c12 MOL8118
-S=C1NC2(CCCCCC2)NN1c1ccccc1 MOL8119
-COC(=O)C1=C(C)NC2(C)C(C(=O)OC)CC1C2(C(C)=O)C(C)=O MOL8120
-CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)C(O)CC4(COC(=O)C1O)C2(C)C31CO1 MOL8121
-CC1=CC2OC3CC4OC(=O)C=CC=CC(C(C)O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1 MOL8122
-COc1cc(-c2cc(=O)c3ccccc3o2)cc(OC)c1OC MOL8123
-C=C(C)CNC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(OC)C3NC3CN21 MOL8124
-O=C(c1ccccc1)N1OC2C=CC1CC2 MOL8125
-O=C(c1ccc2c(c1)OCO2)N1OC2C=CC1CC2 MOL8126
-CC(=O)N1OC2(C)c3ccccc3C1(C)c1ccccc12 MOL8127
-O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O MOL8128
-COc1c(C=O)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL8129
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)c(OC)cc3nc2-1 MOL8130
-CC(=O)OCC1=C(C)CC(C(C)C2CCC3C4CC5OC56C(OC(C)=O)C=CC(=O)C6(C)C4CCC23C)OC1=O MOL8131
-CC1NC(=O)C2Cc3ccc(O)c(c3)Oc3cccc(c3)C(O)C(C(=O)N2C)N(C)C(=O)C(C)NC(=O)C(Cc2ccc(O)c(O)c2)N(C)C(=O)C(C)NC1=O MOL8132
-CC(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C3CCC4C(C3)OC3(CC(OC(=O)C=Cc5ccccc5)C(C)CO3)C43CO3)OC(C)C(O)C2OC(C)=O)C1O MOL8133
-N=c1[nH]c2c(s1)CCC2 MOL8134
-CCN(CCN1C(=O)C2CCCCC2C1=O)c1ccc(N=O)c(C)c1 MOL8135
-O=C(O)CC(=O)Nc1ccccc1S MOL8136
-C1CCCN(N2CCOCC2)CC1 MOL8137
-C=CC(=O)NCCSSCCNC(=O)C=C MOL8138
-CC1(C)CC2=NO[Se]3=C2C(=NO3)C1 MOL8139
-CSC(=NN=C(C)c1ccccn1)N1CCN(c2ccccn2)CC1 MOL8140
-CC(=NNC(=[Se])N1CCN(c2ccccn2)CC1)c1ccccn1 MOL8141
-Nc1ccc(C(=O)Nc2ccccc2N)cc1 MOL8142
-CC1=NC(=O)CON1 MOL8143
-COC(=O)C=Cc1c(=O)c(C(=O)OC)cn2cnc3[nH]cnc3c12 MOL8144
-COC(=O)c1cc(C(=O)OC)c2c3nc[nH]c3ncn2c1=O MOL8145
-NCc1ccc(O)c(O)c1O MOL8146
-CCSC(SC)=C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL8147
-CCCCc1ccc(C(N)=O)nc1 MOL8148
-CC(=NNC(=[Se])N1CCCCCC1)c1ccccn1 MOL8149
-Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1 MOL8150
-O=C(Nc1cccc(Cl)c1)Nc1cccnc1O MOL8151
-COC(=O)C1=CC(=O)N2CCN=C2S1 MOL8152
-COC(=O)c1cc(=O)n(Cc2ccco2)c(=Nc2ccccc2)s1 MOL8153
-N#Cc1cc2ccccc2nc1SN MOL8154
-N=c1[nH]sc2nc3ccccc3cc12 MOL8155
-CC1(C)CC[P+](CCCC[P+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F MOL8156
-CC(C)=CC[PH](CCCCCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 MOL8157
-O=C(O)c1cc2ccccc2nc1O MOL8158
-O=C1NC(O)c2cc(Cl)ccc2O1 MOL8159
-O=C1NC(O)c2cc(Cl)cc(Cl)c2O1 MOL8160
-O=C1NC(O)c2cc(O)ccc2O1 MOL8161
-COc1ccc2c(c1)C(O)NC(=O)O2 MOL8162
-CC(CO)C1OC(=O)C=C2C3(C)CC4OC4C4(C)C(=O)OC(C34)C3OC213 MOL8163
-CCCC=CC=CC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(COC(C)=O)=CC2C2C(C)(C)C12OC(=O)C(C)C MOL8164
-CC(C)(C)SSC(=S)C(c1ccccc1)c1ccccc1 MOL8165
-CCCCC(=S)SSC(C)(C)C MOL8166
-Cc1ncc([N+](=O)[O-])n1CCOC(N)=O MOL8167
-NS(=O)(=O)OCCCCCCCOS(N)(=O)=O MOL8168
-O=C(O)CSC(=S)CCCCCCCCCCC(=S)SCC(=O)O MOL8169
-CCc1nc(N)nc(N)c1-c1ccc(Cl)c(N=NN(C)C)c1 MOL8170
-COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC)C2=O MOL8171
-COC1CC(C)C(OC)c2cc(O)cc(c2O)NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC MOL8172
-CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CN2 MOL8173
-O=c1c2ccccc2oc2cc3c(c(O)c12)CCCC3 MOL8174
-CC1=NC(C)=NP(O)(Oc2ccccc2)=N1 MOL8175
-CC1=CC2OC3CC(OC(=O)C=CC=CC(OCCC4=CC(=O)OC4)C(C)O)C(C)(C2(CO)CC1)C31CO1 MOL8176
-C=C1C(=O)OC2C=C(CO)C3(O)CC(O)C(C)(CC(OC(=O)C(C)=CC)C12)O3 MOL8177
-C=C1CCC2C(C)(C)CCCC2(C)C1Cc1cc(O)ccc1O MOL8178
-c1ccc(SC2=C(Sc3ccccc3)CC2)cc1 MOL8179
-CC1(COc2ccccc2OCC2(C)CO2)CO1 MOL8180
-c1ccc(OCC2CO2)c(OCC2CO2)c1 MOL8181
-Cc1c(O)ccc(N=O)c1O MOL8182
-CC(=O)Oc1c2occc2cc2ccc(=O)oc12 MOL8183
-Cc1cc(Br)c2nsnc2c1[N+](=O)[O-] MOL8184
-COc1cc(Br)c2nsnc2c1 MOL8185
-CC(C)n1cc(C(C)(C)C)nc1SSc1nc(C(C)(C)C)cn1C(C)C MOL8186
-CC1N=C(SCc2c(F)cccc2Cl)N2C(C)N=C(SCc3c(F)cccc3Cl)N12 MOL8187
-Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)SC1=NC(C)N2C(SC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)=NC(C)N12 MOL8188
-Cc1cc(C)cc(N(C2=NCCS2)C2=NCCS2)c1 MOL8189
-CC1=C(C)C(N2CCOCC2)CS(=O)(=O)O1 MOL8190
-C=C=CC(C)(O)c1ccc(-c2ccccc2)cc1 MOL8191
-CCCCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1 MOL8192
-COc1ccc(C(C#N)=Cc2cc(OC)c(OC)c(OC)c2)cc1 MOL8193
-CCc1c(C)c(SC)n(C)c(=O)c1C#N MOL8194
-Cc1c(C(=N)C(C#N)C#N)c(=N)oc2c1ccc1ccccc12 MOL8195
-CCOC(=O)C1Cc2c(n(C3CCCCC3)c(=O)n(C)c2=O)OC1c1ccccc1 MOL8196
-CCOC(=O)C1Cc2c(O)nc(O)nc2OC1c1ccc([N+](=O)[O-])cc1 MOL8197
-CCOC(=O)C1Cc2c(O)nc(O)nc2OC1(C)c1ccccc1 MOL8198
-Cc1cc(S)c2cc3c(cc2n1)OCO3 MOL8199
-COc1ccc(C(C)=O)cc1CN1CCN(Cc2cc(C(C)=O)ccc2OC)CC1 MOL8200
-COC(C(C)=CC=CC(C)=Cc1coc(C)n1)C(C)C1CC(O)C2(C)OC2C=CC(C)C2CC(CC(=O)O2)CC2OC2C(=O)O1 MOL8201
-Cc1nc2sccn2c1C(N)=O MOL8202
-NC(=O)c1c(Cl)nc2n1CCS2 MOL8203
-Cc1nc2n(c1C(N)=O)CCS2 MOL8204
-CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(OC)cc1)CN2 MOL8205
-Cc1cc(OP2(=O)Nc3ccccc3-c3ccccc3N2)ccc1Cl MOL8206
-Cc1cc2cc3ccc(Cl)nn3c2nn1 MOL8207
-CC1(C)CC[P+](CCC[P+]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21.F[P-](F)(F)(F)(F)F MOL8208
-CC(C)=CC[PH](CCC[PH](CC=C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 MOL8209
-CC(OC1C(N)C(O)OC(CO)C1O)C(=O)O MOL8210
-N=C(N)SCc1ccc2nsnc2c1 MOL8211
-NCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O MOL8212
-COc1ccccc1C1=NC(C)(C)CO1 MOL8213
-COP1(=S)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O1 MOL8214
-Cc1cn(C2CC3OP(C)(=O)OCC3O2)c(=O)[nH]c1=O MOL8215
-CC(C)(C)C1CNP(=O)(c2ccccc2)OC1.CC(C)(C)C1CNP(=O)(c2ccccc2)OC1 MOL8216
-CC(C)(C)C1CNP(C)(=O)OC1.CC(C)(C)C1CNP(C)(=O)OC1 MOL8217
-CC(C)(C)C1COP(=O)(c2ccccc2)N(c2ccccc2)C1.CC(C)(C)C1COP(=O)(c2ccccc2)N(c2ccccc2)C1 MOL8218
-CC(C)N(Cc1ccccc1)S(=O)(=O)c1nc(C(C)(C)C)n[nH]1 MOL8219
-COC(=O)c1cc(=O)c2c(ccc3oc(=O)ccc32)[nH]1 MOL8220
-CC(NC(=O)C(N)CSSCC(N)C(=O)NC(C)C(=O)O)C(=O)O MOL8221
-NC(CSSCC(N)C(=O)NCC(=O)O)C(=O)NCC(=O)O MOL8222
-CC(C)CC(NC(=O)C(N)CSSCC(N)C(=O)NC(CC(C)C)C(=O)O)C(=O)O MOL8223
-NC(CSSCC(N)C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O MOL8224
-NC(CSSCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL8225
-CC(C)C(NC(=O)C(N)CSSCC(N)C(=O)NC(C(=O)O)C(C)C)C(=O)O MOL8226
-O=S(O)CCCCSSSCCCCS(=O)O MOL8227
-COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CCC(OC7CC(O)C(OC8CCC(O)C(C)O8)C(C)O7)C(C)O6)C(OC(C)=O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C=O)=CC(O)C4C=C2C)OC3=O)CC1(C)[N+](=O)[O-] MOL8228
-CC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O MOL8229
-CCC(C)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)O MOL8230
-CCCCC(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL8231
-O=C(O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1 MOL8232
-O=C(O)C(CO)NC(=O)C1CCCN1C(=O)OCc1ccccc1 MOL8233
-COC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(C)C MOL8234
-CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)Oc1ccccc1 MOL8235
-CC(C)C(NC(=O)C(N)CCC(=O)O)C(=O)O MOL8236
-O=C1NN=C(c2ccccc2)SC1c1ccccc1 MOL8237
-CN(C)CCNc1ccc(CO)c2sc3ccc(O)cc3c(=O)c12 MOL8238
-CCOP(=S)(CC)Oc1cnn(C)c(=O)c1SCC MOL8239
-CCSc1c(S)cnn(C)c1=O MOL8240
-S=C1CC(N2CCCC2)=Nc2ccccc2N1 MOL8241
-CSC1=Nc2ccccc2N=C(N2CCCC2)C1 MOL8242
-O=Cc1ccc2c(c1)C(O)NC(=O)O2 MOL8243
-CC(C)OC1NC(=O)Oc2ccccc21 MOL8244
-CCNC(=O)OCc1cnc(C)c(OC(=O)NCC)c1COC(=O)NCC MOL8245
-O=C1NN=C2CCN3C(=O)c4ccccc4C3=C12 MOL8246
-Cc1nn(-c2ccccc2)c2c1S(=O)(=O)c1ccccc1-2 MOL8247
-Cc1c2ccnc(C(N)=O)c2c(C)c2c1[nH]c1ccccc12 MOL8248
-O=c1[nH]c2cc(Cl)ccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 MOL8249
-COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1 MOL8250
-Cc1c(Cl)cccc1Nc1ncccc1C(=O)OCC(O)CO MOL8251
-Cc1c(Cl)cccc1Nc1ncccc1C(=O)O MOL8252
-Nc1ncnc2[nH]c(C(O)C(O)C(O)CO)nc12 MOL8253
-CC(=O)OCc1nc2c(N)ncnc2[nH]1 MOL8254
-COc1cc(N)c2nc(C(O)C(O)C(O)CO)cnc2c1 MOL8255
-Cc1n[nH]c2nc(=N)[nH]n2c1=O MOL8256
-COC(=O)c1c(C(=O)OC)c2c(C)nn3ccc1n23 MOL8257
-CNCCCNCCCSP(=O)(O)O MOL8258
-CN1C(=O)N(C)C(=O)C(Nc2ccc([N+](=O)[O-])cc2)(SCCO)C1=O MOL8259
-CCN(CC)C1CS(=O)(=O)OC(c2ccccc2)=C1C MOL8260
-COc1c(-c2ccccc2)oc2c(ccc3occc32)c1=O MOL8261
-O=C1CC2C(=O)NC(=O)C2C(=O)N1 MOL8262
-CN1C(=O)CC2C(=O)N(Cc3ccccc3)C(=O)C2C1=O MOL8263
-CN1C(=O)C2CC(=O)N(Cc3ccccc3)C(=O)C2C1=O MOL8264
-CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc(C)n1 MOL8265
-CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc(C)n1 MOL8266
-CCCC(=NNC(=S)N1CC2CCC(CC2)C1)c1ccccn1 MOL8267
-CCCC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ccccn1 MOL8268
-COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1C(NC(=O)C(F)(F)F)CC2 MOL8269
-COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C([N+](C)(C)C)CC2 MOL8270
-Cc1ccccc1C1N=C2Oc3ccccc3C=C2C(=O)N1 MOL8271
-CCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL8272
-Nc1ncnc2c1ncn2C1OC(COC2C(O)C(OC3OC(CO)C(O)C(O)C3N)C(O)C(OS(=O)(=O)O)C2OC(=O)C(N)CO)C(O)C1O MOL8273
-CCOC(=O)c1ccc(N2N=C3C(=CC(=O)c4ccccc43)SCC2=O)cc1 MOL8274
-Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO MOL8275
-CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21 MOL8276
-COC(=O)C1=C(C(=O)OC)P2(C)(C)OC(c3ccccc3)CN2C1(c1ccccc1)c1ccccc1 MOL8277
-O=C(Nc1ccccc1)c1c(O)nc(S)nc1O MOL8278
-O=C1CC2=CSC3=NC(O)=CC(=N1)N23 MOL8279
-N=c1cc2[nH]c(=O)cc3n2c(n1)SC3 MOL8280
-Cc1nc2ccccc2c(=O)n1N1C2CCCC21 MOL8281
-O=C1CN(C2CCCCC2)CC(=O)N2CCCCN12 MOL8282
-CCOc1ccc(N2CC(=O)N3CCCCN3C(=O)C2)cc1 MOL8283
-O=C1CN(N2CCOCC2)CC(=O)N2CCCCN12 MOL8284
-NCCCC(N)(C(=O)O)C(F)F MOL8285
-CC(C)C1=C(O)C(=O)C2=C(C1=O)C(OC=O)C(O)C1C(C)(C)CCCC21C MOL8286
-CC1=CC(C)(C)N=C2SC(COc3ccccc3)=NN12 MOL8287
-CC(O)C1OC(n2cnc3c(O)ncnc32)C(O)C1O MOL8288
-O=C(NCc1cc(CNC(=O)c2cccc(O)c2O)cc(CNC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O MOL8289
-CC1(C)CNC(=O)C2=C(O1)C(=O)OC2 MOL8290
-O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccccc1 MOL8291
-COC(=O)c1cc(=O)nc(NN)s1 MOL8292
-CN1C(=O)c2ccccc2N=CN1C(=O)Nc1ccccc1 MOL8293
-Cc1ccc(S(=O)(=O)NC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1 MOL8294
-O=c1oc2ccccc2n1Cc1ccc(Cl)cc1 MOL8295
-COC(=O)c1cc(=O)nc(NN=Cc2ccc(C)cc2)s1 MOL8296
-Cn1c2c(c3nc(N)nc(N)c3c1=O)CCc1ccccc1-2 MOL8297
-C(=NNC1=NCCN1)c1c2ccccc2c(C=NNC2=NCCN2)c2ccccc12 MOL8298
-NC(=O)C1c2ccccc2C=Cc2ccccc21 MOL8299
-COC(=O)C1(C)CCCC2(C)C3=CC(=O)C4(C(C)C)OC4C3(O)CCC12 MOL8300
-CCNC(=O)OCc1cnc(C)c(O)c1COC(=O)NCC MOL8301
-NC(CSSCC(N)C(=O)c1ccccc1)C(=O)c1ccccc1 MOL8302
-CC(=O)O.Nc1nc(N)c(CCc2ccccc2)c(N)n1 MOL8303
-CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL8304
-Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 MOL8305
-Cc1c(N)c2ccccc2c(=O)n1C MOL8306
-O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)c([N+](=O)[O-])c1 MOL8307
-c1ccc(Nc2nnnn2-c2ccccc2)cc1 MOL8308
-CC1=Nc2nnnn2N=C(C)C1 MOL8309
-N=C(N)NNC(O)(C(=O)O)C(=O)O MOL8310
-O=C(O)c1cc(Cl)nnc1O MOL8311
-Cc1ncc(N)c(C(=O)O)n1 MOL8312
-Cn1nc2[nH]c(=S)sc(=S)c2c1O MOL8313
-Clc1cnc(Oc2ccccc2)c2ccccc12 MOL8314
-CC1=[N+]2[N-]C(N3CCCCCC3)=[S+][Fe-3]2(Cl)(Cl)[n+]2ccccc21 MOL8315
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Ni-2]2(SC#N)[n+]2ccccc21 MOL8316
-Brc1c(C(Br)Br)ccc2ccccc12 MOL8317
-CCOC(=O)CNC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1 MOL8318
-COC(=O)C(CSSCC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C)N1C(=O)CCC1=O)NC(=O)OCc1ccccc1 MOL8319
-CCOC(=O)CNC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(=O)OC)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C MOL8320
-CC(SSc1ccc(C(C)(C)C)cc1)c1ccccc1 MOL8321
-Cc1ccc(SSc2ccc(C(C)(C)C)cc2)cc1 MOL8322
-COC(=O)CSSCc1ccccc1 MOL8323
-O=[N+]([O-])c1ccc(CSSCc2ccc([N+](=O)[O-])cc2)cc1 MOL8324
-CN(CCC#N)c1ccc(C=C(C#N)c2cccc(C(F)(F)F)c2)cc1 MOL8325
-O=C(Nc1ccc2oc3ccc(Cl)cc3c(=O)c2c1)c1ccc(Cl)cc1Cl MOL8326
-CC(=O)Nc1ccc2oc3ccc(Cl)cc3c(=O)c2c1 MOL8327
-O=c1oc2c(-c3c(O)c(=O)oc4ccccc34)cc(O)cc2s1 MOL8328
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)SC(=S)N1C1CC1 MOL8329
-O=C1c2ccccc2C(=O)c2c1nc1sccn21 MOL8330
-O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1ccccc1 MOL8331
-CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL8332
-NC(=S)NN=Cc1cc(=O)c2cc(Cl)ccc2o1 MOL8333
-NC(=S)NN=Cc1c(O)nc2ccc(Cl)cc2c1O MOL8334
-COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl MOL8335
-COC(=O)CC(C(=O)OC)=C1CCC2=C1N1CCCC1C2(CC(=O)OC)C(=O)OC MOL8336
-CS(=O)(=O)CS(=O)(=O)OCCCl MOL8337
-CC1=C(C)C23Cn4c(=O)n(-c5ccccc5)c(=O)n4C2(C)C1(C)C3C MOL8338
-COC1C2=CC=CC=CC2n2c(=O)n(-c3ccccc3)c(=O)n21 MOL8339
-O=c1cc(C(F)(F)F)c2cc3c4c(c2o1)CCCN4CCC3 MOL8340
-Cc1cc(=O)oc2cc(NCS(=O)(=O)O)ccc12 MOL8341
-CCNc1cc2oc(=O)cc(C(F)(F)F)c2cc1C MOL8342
-CCOC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 MOL8343
-N#Cc1cc2cc3c4c(c2oc1=O)CCCN4CCC3 MOL8344
-CCN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21 MOL8345
-COC1C2=CC=CC=CC2n2c(=O)n(C)c(=O)n21 MOL8346
-Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1 MOL8347
-CCCc1cc2c(O)c(C(=O)OC)cnc2cc1N(CC)CC MOL8348
-CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC MOL8349
-CN1C(=O)CN2CCc3ccccc3C2c2cc(Cl)ccc21 MOL8350
-CC(=O)OCc1cc(-c2nc3ccccc3nc2O)nn1-c1ccc(Cl)cc1 MOL8351
-O=C1Nc2cnc(Cl)nc2Nc2ccccc21 MOL8352
-O=C1Nc2cnc(Cl)nc2Nc2cc(Cl)ccc21 MOL8353
-O=C1Nc2cnc(Cl)nc2Nc2ccc(Cl)cc21 MOL8354
-CN1c2ccccc2C(=O)Nc2cnc(Cl)nc21 MOL8355
-Nc1nc(F)nc2c1ncn2CC(O)CO MOL8356
-O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)C(O)C1O MOL8357
-C=C(c1ccc(OC)c(OC)c1)c1nccc2cc(OC)c(OC)cc12 MOL8358
-O=c1c2ncn(C3CC(O)C(O)C(CO)O3)c2ncn1C1CC(O)C(O)C(CO)O1 MOL8359
-Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)c3nc(-c4ccccc4)c(=O)oc3c1C)N2 MOL8360
-CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cnccn1 MOL8361
-COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2 MOL8362
-N#CCCN(CCC#N)c1ccc(C=C2C=C(c3ccccc3)OC2=O)cc1 MOL8363
-Cc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1 MOL8364
-Cc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1C MOL8365
-Cc1ccc(C)c(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)c1 MOL8366
-COc1ccc(C2=CC(=Cc3ccc(N(CCC#N)CCC#N)cc3)C(=O)O2)cc1 MOL8367
-Cn1c2c(c(=O)n(C)c1=O)CS(=O)c1ccccc1N2 MOL8368
-S=c1cc(S)c2c(=S)sc3nc4ccccn4c(=S)c3c2s1 MOL8369
-CCOC(=O)C(C(=O)OCC)=C(N)C(Cl)(Cl)Cl MOL8370
-c1cnc2c3cnc4sccc4c3nn2c1 MOL8371
-Cc1cc(C)n2nc3c4ccsc4ncc3c2n1 MOL8372
-COc1cc(N)ccc1Nc1c2ccccc2nc2ccccc12 MOL8373
-NCCNCC(O)CO MOL8374
-OCCNCCN=C1CCC(=NCCNCCO)CC1 MOL8375
-OCCN1C(c2ccccc2)=CN2C=CSC21 MOL8376
-CC1(C)CC[PH](CC[PH]2(c3ccccc3)CCC(C)(C)c3ccccc32)(c2ccccc2)c2ccccc21 MOL8377
-Cc1cc(C)c(C#N)c(SSC(Cl)(Cl)Cl)n1 MOL8378
-Cc1cc(C)c(C#N)c(SCC(=O)c2sc3c(C#N)c(C)cc(C)[n+]3c2O)n1 MOL8379
-COc1cccc2c1ccc1nonc12 MOL8380
-CC(=O)Oc1cccc2c1ccc1nonc12 MOL8381
-CC(O)(C=CC1CC=CC(=O)O1)C(CC(O)C=CC=CC=CCO)OP(=O)(O)O.[NaH] MOL8382
-CC1=CC(=O)OC2CC(CCC(C)C=CCC1)OC(O)(C1CSC(=O)N1)C2 MOL8383
-CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC5OC56C(O)C(N5CC5)=CC(=O)C6(C)C4CCC23C)C1 MOL8384
-CC1=CC(=O)C(=O)C2=C1OC1(C2)C(C)CCC2C3(C)CCC(O)C(C)(C)C3CCC21C MOL8385
-O=C(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 MOL8386
-O=C1c2ccccc2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21 MOL8387
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21 MOL8388
-O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2Cc1ccco1 MOL8389
-CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL8390
-O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCO MOL8391
-CC(C)n1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL8392
-C=CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL8393
-CCCC=CC=CC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(COC(C)=O)=CC2C2C(C)(C)C12OC(C)=O MOL8394
-Cn1cc(C2NC(=O)c3ccccc3N2)c2ccccc21 MOL8395
-[N-]=[N+]=Nc1ccc(SSCCC(=O)ON2C(=O)CCC2=O)cc1 MOL8396
-CC(=O)NC(CCSSCCC(NC(C)=O)C(=O)ON1C(=O)CCC1=O)C(=O)ON1C(=O)CCC1=O MOL8397
-COC(=O)C1C(C(=O)OC)C2N(c3ccccc3)C=NN2C1C(=O)c1ccccc1 MOL8398
-CC1(CO)C(O)CCC2(C)C1C(O)CC1CC3CC12CCC3(O)CO MOL8399
-CN(C)CCC(=O)C(=Cc1ccc(O)cc1)C(=O)CCN(C)C MOL8400
-CCN(CC)CCN1CC(=O)N2CCCCN2C(=O)C1.O=C(O)C(=O)O MOL8401
-CCN(CC)CCCN1CC(=O)N2CCCCN2C(=O)C1 MOL8402
-O=C1CN(CCN2CCOCC2)CC(=O)N2CCCCN12 MOL8403
-O=C1CN(CCCN2CCOCC2)CC(=O)N2CCCCN12 MOL8404
-O=C(O)C(=O)O.O=C1CN(CCN2CCCCC2)CC(=O)N2CCCCN12 MOL8405
-CC(C)CN1CC(=O)N2CCCC(C)N2C(=O)C1 MOL8406
-CC1CCCN2C(=O)CN(C3CCCCC3)CC(=O)N12 MOL8407
-CC1CCCN2C(=O)CN(Cc3ccccc3)CC(=O)N12 MOL8408
-CC1CCCN2C(=O)CN(CCc3ccccc3)CC(=O)N12 MOL8409
-CC1CCCN2C(=O)CN(c3ccccc3)CC(=O)N12 MOL8410
-Cc1ccc(N2CC(=O)N3CCCC(C)N3C(=O)C2)cc1 MOL8411
-CCOc1ccc(N2CC(=O)N3CCCC(C)N3C(=O)C2)cc1 MOL8412
-CC1CCCN2C(=O)CN(N3CCOCC3)CC(=O)N12 MOL8413
-CC(C)CN1CC(=O)N2CCCC(c3ccccc3)N2C(=O)C1 MOL8414
-CCCCN1CC(=O)N2CCCC(c3ccccc3)N2C(=O)C1 MOL8415
-O=C1CN(C2CCCCC2)CC(=O)N2C(c3ccccc3)CCCN12 MOL8416
-O=C1CN(Cc2ccccc2)CC(=O)N2C(c3ccccc3)CCCN12 MOL8417
-O=C1CN(CCc2ccccc2)CC(=O)N2C(c3ccccc3)CCCN12 MOL8418
-O=C1CN(c2ccccc2)CC(=O)N2C(c3ccccc3)CCCN12 MOL8419
-Cc1ccc(N2CC(=O)N3CCCC(c4ccccc4)N3C(=O)C2)cc1 MOL8420
-CCOc1ccc(N2CC(=O)N3CCCC(c4ccccc4)N3C(=O)C2)cc1 MOL8421
-CC(C)CN1CC(=O)N2CCCN2C(=O)C1 MOL8422
-CCOc1ccc(N2CC(=O)N3CCCN3C(=O)C2)cc1 MOL8423
-O=C1CN(c2ccccc2)CC(=O)N2Cc3ccccc3CN12 MOL8424
-O=C1CN(Cc2ccccc2)CC(=O)N2Cc3ccccc3CN12 MOL8425
-Cc1ccc(CN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)cc1 MOL8426
-COc1ccc(CN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)cc1 MOL8427
-O=C1CN(Cc2ccc(Cl)cc2)CC(=O)N2Cc3ccccc3CN12 MOL8428
-O=C1CN(Cc2cccc(Cl)c2)CC(=O)N2Cc3ccccc3CN12 MOL8429
-CC(C)CN1CC(=O)N2Cc3ccccc3CN2C(=O)C1 MOL8430
-COCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1 MOL8431
-COCCCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1 MOL8432
-O=C1CN(CCO)CC(=O)N2Cc3ccccc3CN12 MOL8433
-O=C1CN(CCCO)CC(=O)N2Cc3ccccc3CN12 MOL8434
-O=C1CN(CCCl)CC(=O)N2Cc3ccccc3CN12 MOL8435
-O=C1CN(CCCCl)CC(=O)N2Cc3ccccc3CN12 MOL8436
-CCN(CC)CCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1 MOL8437
-O=C1CN(CCN2CCOCC2)CC(=O)N2Cc3ccccc3CN12 MOL8438
-O=C1CN(CCCN2CCOCC2)CC(=O)N2Cc3ccccc3CN12 MOL8439
-O=C1CN(CCN2CCCCC2)CC(=O)N2Cc3ccccc3CN12 MOL8440
-CN1CCN(CCCN2CC(=O)N3Cc4ccccc4CN3C(=O)C2)CC1 MOL8441
-COC(=O)N1C2C=CC=CC=C2C(OC)N1C(=O)OC MOL8442
-CCCCC1N=CNc2c1ccc1c2[nH]c2ccccc21 MOL8443
-CCCOC(=O)Nc1ccc2c(c1)c1c3[nH]c(=O)c4cccn4c3ccc1n2CC MOL8444
-Cc1cc(NCCCN(C)C)c2ccc3c(ccc4c(NCCCN(C)C)c[c-](C)[n+](=O)c43)c2[n+]1[O-] MOL8445
-NC(=O)c1c[se]c(C2OC(CO)C(O)C2O)n1 MOL8446
-CCN1Cc2c(C=Cc3ccccc3)nc3ccc(OC)cc3c2N(c2cccc(Cl)c2)C1 MOL8447
-CCN(CC)CCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CCN(CC)CC)C(=O)C2C31.Cl MOL8448
-O=S1ON=C(C2CCC(C3=NOS(=O)O3)C2)O1 MOL8449
-CC12CCC(C=C1N1CCCCC1)C(C)(C)O2 MOL8450
-CC1(C)OC2(C)CCC1C(O)C2N1CCCC1 MOL8451
-CC1(C)OC2(C)CCC1C(O)C2N1CCCCC1 MOL8452
-COc1nc(N=[N+]=[N-])nc(-c2c(OC)ccc3ccccc23)n1 MOL8453
-COc1cccc(C(=O)CC(c2ccccc2)C(C)(C)[N+](=O)[O-])c1 MOL8454
-CC(=O)c1c(C)[nH]n2ccc[n+]12 MOL8455
-Cn1c(=O)c2nncnc2n(C)c1=O MOL8456
-CC(C)=CC(=O)OC1C2C(C)=CC(O)C(O)C2(C)C2C3(O)OCC24C(CC(=O)OC14)C(C)C3O MOL8457
-NC12CC3CC(CC(C3)C1)C2 MOL8458
-CC1C[N+]2(CNC(=O)C3=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C3=O)C(=O)c3c(O)cccc3C5(C)O)CC(C)O[B-]2(c2ccccc2)O1 MOL8459
-CN(C)C1C(O)=C(C(=O)NC[N+]23CCO[B-]2(c2ccc(Cl)cc2)OCC3)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12 MOL8460
-COc1ccccc1[B-]12OCC[N+]1(CNC(=O)C1=C(O)C(N(C)C)C3CC4C(=C(O)C3(O)C1=O)C(=O)c1c(O)cccc1C4(C)O)CCO2 MOL8461
-COc1cccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)c1 MOL8462
-COc1ccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)cc1 MOL8463
-Cc1ccccc1[B-]12OCC[N+]1(CNC(=O)C1=C(O)C(N(C)C)C3CC4C(=C(O)C3(O)C1=O)C(=O)c1c(O)cccc1C4(C)O)CCO2 MOL8464
-Cc1cccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)c1 MOL8465
-Cc1ccc([B-]23OCC[N+]2(CNC(=O)C2=C(O)C(N(C)C)C4CC5C(=C(O)C4(O)C2=O)C(=O)c2c(O)cccc2C5(C)O)CCO3)cc1 MOL8466
-CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)cc1Cl)CN2 MOL8467
-O=c1ccc2c(O)c3ccoc3cc2o1 MOL8468
-CCCCCCCCCC(=O)Oc1c2ccoc2cc2oc(=O)ccc12 MOL8469
-CCN(CC)CCOc1c2ccoc2cc2oc(=O)ccc12 MOL8470
-CCOC(=O)CSc1cc(C)c2c(N)c(C(=O)OCC)sc2n1 MOL8471
-COc1cccc(OC)c1SSCCN MOL8472
-CCCCCCCCCCNCCSSCc1ccc(OC)cc1 MOL8473
-Cc1ccc(SSCCN)cc1 MOL8474
-CN(C)C(=S)SSC(C)(C)C MOL8475
-CCCCCCCCCCNCCSSCc1ccccc1 MOL8476
-CCCCCCCCCCNCCSSc1ccccc1 MOL8477
-NCCSSc1ccccc1C(=O)O MOL8478
-Nc1ccccc1SSc1ccccc1C(=O)O MOL8479
-CCSSc1ccccc1C(=O)O MOL8480
-CC(=O)NCCSSCCSC(=S)N1CCCCC1 MOL8481
-O=C(O)c1cccc(SS(=O)(=O)c2cccc(C(=O)O)c2)c1 MOL8482
-NCCSSc1ccccc1[N+](=O)[O-] MOL8483
-Cc1ccc(S(=O)(=O)SC(C)(C)C)cc1 MOL8484
-CC(=O)NCCSSCCCCSSCCNC(C)=O MOL8485
-NCCSSc1ccc([N+](=O)[O-])cc1 MOL8486
-Cc1ccccc1SSCCN MOL8487
-Cc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(C)cc2)cc1 MOL8488
-O=S(=O)(CCNCCCCC1CCCCC1)SCCNCCCCC1CCCCC1 MOL8489
-NC(CSSc1ccccc1C(=O)O)C(=O)O MOL8490
-CC(C)(C)SSCCN MOL8491
-CCCCCCCCCCNCCSSCCNC(C)=O MOL8492
-COC(=O)c1ccccc1SSCCN MOL8493
-CC(=O)NCCSSSCCNC(C)=O MOL8494
-CC(=O)NCCSSCCCCS(=O)O MOL8495
-CNCCSS(=O)(=O)CCNC MOL8496
-O=C(CN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)c1ccc(F)cc1 MOL8497
-O=C(CN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)c1ccc(Cl)cc1 MOL8498
-Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCCCC3 MOL8499
-COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2ccccc2nc2ccccc12 MOL8500
-COc1ccc(-c2c(N3CCOCC3)oc3cc(N4CCOCC4)c(O)cc23)cc1 MOL8501
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCOCC4)C3=O)N1CC1NC12 MOL8502
-CCOC(=O)Cn1nc2oc(=O)c(CCN3CCN(c4ccccc4OC)CC3)c(C)c2c1C MOL8503
-CN1C=CC(=C[N+](=O)[O-])N(C)C1=O MOL8504
-CC1(C)SC(C)(C)N2C(=O)C3N(C(=O)C21)C(C)(C)SC3(C)C MOL8505
-Cc1c2sc3ccccc3[nH]c2nc2[nH]c3ccccc3sc12 MOL8506
-C#CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 MOL8507
-O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2-c1cccnc1 MOL8508
-O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C1C(O)C(=O)O4)C(OC(=O)c1cc(O)c(O)c(O)c1)O3 MOL8509
-O=C1C=CC(=Nc2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc21 MOL8510
-Cn1c(-c2ccc(Br)cc2)cc2nc(S)nc(N)c2c1=O MOL8511
-CCOC(=O)c1cc(-c2ccccc2)c(=O)c(OC)nc1-c1ccccc1 MOL8512
-CCOC(=O)c1cc(-c2ccccc2)c(OC)c(=O)nc1-c1ccccc1 MOL8513
-C1=C(c2ccccc2)N2CCCNC2(c2ccccc2)CS1 MOL8514
-COc1onc(C)c1CC(=O)O MOL8515
-Cc1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3oc12 MOL8516
-NP(N)(=O)NC(=O)c1ccc(F)cc1 MOL8517
-O=C1c2ccccc2C(=O)N1N1CC1c1ccccc1 MOL8518
-CC1=Nc2cc(=N)[nH]n2C(=O)C1 MOL8519
-COC1CC2C=C(C)C=CC=CC(=O)NC(c3ccccc3)CC=CCCC(O)CC(=O)C2=C1O MOL8520
-COC(=O)C=C1CC(C)C2=C(N1)SCC2=O MOL8521
-COc1ccc2nc(CC(C)C)c3c(c2c1)-c1ccccc1C3=O MOL8522
-CCCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 MOL8523
-O=C(CCCN1CCC(C(O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 MOL8524
-N#CC1=CNc2ccccc2NC1=N MOL8525
-Cc1ccc(C2=CSC3=NCCN23)cc1Cl MOL8526
-CCOC(=O)C1=CNc2ccccc2NC1=N MOL8527
-Cc1cc(C2=CSC3=NCCN23)ccc1Cl MOL8528
-C#CCSc1nnnn1-c1ccc(Br)c(C)c1 MOL8529
-COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3n2)cc1 MOL8530
-COc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1 MOL8531
-O=C1NC(O)c2cccc(Cl)c2O1 MOL8532
-COc1cccc2c1OC(=O)NC2O MOL8533
-COCc1ccc2c(c1)C(O)NC(=O)O2 MOL8534
-O=C1NC(O)c2cccc([N+](=O)[O-])c2O1 MOL8535
-CSc1nc2c(S)nc(S)nc2s1 MOL8536
-C=CCNc1ncnc2sc(SC)nc12 MOL8537
-Cc1ccc(S(=O)(=O)NC(=O)n2ccnc2C)cc1 MOL8538
-Clc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 MOL8539
-O=C(Nc1ccc(Cl)cc1)Sc1nnc2c(n1)[nH]c1ccccc12 MOL8540
-COC(=O)c1cc(=O)nc(NN=Cc2ccccc2O)s1 MOL8541
-O=C1c2cccc(NCCCNCCO)c2C(=O)c2cccc(NCCCNCCO)c21 MOL8542
-CCCS(=N)(=O)CCC(N)C(=O)O MOL8543
-ClCCCN1CCN(CCCl)CC1 MOL8544
-CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2 MOL8545
-CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CO2 MOL8546
-CCN(CC)Cc1c(OC)ccc2[nH]c3c4ccc(Cl)cc4ncc3c12.CCN(CC)Cc1cc2[nH]c3c4ccc(Cl)cc4ncc3c2cc1OC MOL8547
-CCN(CC)Cc1c(OC)ccc2[nH]c3c4ccc(Cl)cc4ncc3c12 MOL8548
-NC(CSCCCS(=O)(=O)O)C(=O)O MOL8549
-C=C(c1ccccc1)N1N=NC2CCOC21 MOL8550
-COc1cc2c(cc1OC)C1C(=O)c3cc4c(cc3C1N(C)C2=O)OCO4 MOL8551
-CS(=O)(=O)c1nc(=N)o[nH]1 MOL8552
-Nc1cn2ncnc2c(=O)[nH]1 MOL8553
-Nc1nc(O)c2[nH]ccc2n1 MOL8554
-COc1cc2c(OC)c(c1)CCCC1=CC(=O)C=C(CCC2)C1=O MOL8555
-CC1(C)CSCC(C)(C)C2(C=CC=CC=N2)C1=O MOL8556
-Cn1c(=O)n2n(c1=O)C1(CCO)CCC2(CCO)CC1 MOL8557
-C=CC12CCC(CC1)n1c(=O)n(C)c(=O)n12 MOL8558
-CN1NC(C2NN(C)C(=O)N(C)N2)NN(C)C1=O MOL8559
-CCCOC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)O)C(=O)O MOL8560
-CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C MOL8561
-Cc1n[nH]c2c1NC(=O)OC2 MOL8562
-Cc1n[nH]c2c1NC(=O)OC2C MOL8563
-Cc1n[nH]c2c1NC(=O)OCC2 MOL8564
-Cc1n[nH]c2c1NC(=O)OC(C)C2 MOL8565
-Cc1n[nH]c2c1NC(=O)OC(C)(C)C2 MOL8566
-O=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1 MOL8567
-CC(C)=CCCC1(C)C=Cc2c(ccc3c(C)noc23)O1 MOL8568
-NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O)C(=O)O.c1ccncc1 MOL8569
-CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O MOL8570
-N#CC1C2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21 MOL8571
-COC(=O)C1C2C1C1C=CC2n2c(=O)n(-c3ccccc3)c(=O)n21 MOL8572
-COC(=O)c1c2c(n(CCO)c1OC)C(=O)c1ccccc1C2=O MOL8573
-CC1(C)OC(=O)c2c(cc(N3CCOCC3)oc2=O)O1 MOL8574
-O=c1n(-c2ccccc2)c(=O)n2n1C1CC3c4ccccc4C1C32 MOL8575
-CC1C(n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21 MOL8576
-CC1(n2[nH]c(=O)n(-c3ccccc3)c2=O)Cn2c(=O)n(-c3ccccc3)c(=O)n2-c2ccccc21 MOL8577
-Cc1nc2ccccc2c(N)c1-c1cc(C)c2c(C)nc3ccccc3c2n1 MOL8578
-O=C1C(=O)C(CN2CCOCC2)=C(N2CCOCC2)C(N2CCOCC2)=C1CN1CCOCC1 MOL8579
-O=S(O)Cc1ccccc1CSSSCc1ccccc1CS(=O)O MOL8580
-CCOC(=O)CC1(C)SCCN1C(=O)OCC MOL8581
-COC(=O)N1C2CCCCC2=NN(c2ccccc2)N1C(=O)OC MOL8582
-CCOC(=O)CNCc1cc(O)nc2cc(Cl)ccc12 MOL8583
-c1ccc(-c2nc3cc4c(cc3n3cccc23)oc2ccccc24)cc1 MOL8584
-c1ccc2c(c1)oc1cc3c(cc12)ncc1cccn13 MOL8585
-Cc1nc2cc3c(cc2n2cccc12)oc1ccccc13 MOL8586
-c1ccc2c(c1)oc1cc3c(cc12)nnc1cccn13 MOL8587
-CC(C)S(=O)(=O)n1c(=N)[nH]c2ccc(C(=NO)c3ccccc3)cc21 MOL8588
-CC(CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C MOL8589
-O=c1oc2c3ccccc3c3ccccc3c2c2oc3c4ccccc4c4ccccc4c3c12 MOL8590
-CC12Cc3ccccc3CC1OCN1CN2COC2Cc3ccccc3CC21C MOL8591
-Cn1c2c(c3cc(Cl)cc(Cl)c31)-c1ncncc1CC2 MOL8592
-O=C(O)C(O)C(O)C(=O)O.c1ccc2c3c([nH]c2c1)CCc1cncnc1-3 MOL8593
-CCN(CC)CCOC(=O)c1c(C)oc2cc3c(C(=O)OCCN(CC)CC)c(C)oc3cc12 MOL8594
-CCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 MOL8595
-CCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 MOL8596
-CCCCCCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 MOL8597
-COC(=O)NC1=Nc2ccccc2N(C(=O)Oc2ccccc2)S1 MOL8598
-CCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 MOL8599
-COC(=O)NC1=Nc2ccc(Cl)cc2NS1 MOL8600
-CCOC1NC(=O)Oc2ccccc21 MOL8601
-COC1NC(=O)Oc2c(F)cccc21 MOL8602
-COC(=O)c1ccc2c(c1)C(O)NC(=O)O2 MOL8603
-NNC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL8604
-COC(=O)c1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL8605
-Nc1cc2c(cc1-n1cccc1)oc1ccccc12 MOL8606
-CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3ccccc3c1)CN2 MOL8607
-NC(C(=O)O)C1=CCCC1 MOL8608
-COC1CCCCC1C(N)C(=O)O.NC(C(=O)O)C1=CCCCC1 MOL8609
-NC(C(=O)O)C1=CCCCCCC1 MOL8610
-NC(C(=O)O)C1=CCCCCC1 MOL8611
-CN(C)C(=O)Sc1nnc(C(C)(C)C)o1 MOL8612
-COc1cc(C#N)c(NC(=S)N2CCN(C(=O)c3ccco3)CC2)cc1OC MOL8613
-O=C1NC(=O)C23CCCCc4cccc(c42)C(=O)C13 MOL8614
-COc1ccc(C=NNC(=O)c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 MOL8615
-O=c1[nH]c2cc3c(cc2n2cccc12)oc1ccccc13 MOL8616
-CC1C2CCC3C4CC=C5CC(N(C)C)CCC5(C)C4CCC32CN1C MOL8617
-CC(O)C1OC(n2cnc3c(O)nc(N)nc32)C(O)C1O MOL8618
-Clc1nc2cc3c(cc2n2cccc12)oc1ccccc13 MOL8619
-O=C(NN=Cc1ccc(O)cc1)c1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL8620
-CCS1=C(C(C)=O)C(=O)OC(C)C1 MOL8621
-Cc1c(-c2cnccn2)ssc1=S MOL8622
-CC1(C)NC(=O)C2(CC(O)C(O)C(OC(=O)c3ccccc3)C2)O1 MOL8623
-CC1(C)NC(=O)C2(CC(OC(=O)c3ccccc3)C=C2C=O)O1 MOL8624
-CC1(C)NC(=O)C2(CC(O)C=C2CO)O1 MOL8625
-O=C(NP1(=O)NCc2ccccc2CN1)OC1CCCCC1 MOL8626
-COC(=O)CC1(C(=O)OC)C2CCCN2C2(C#N)c3ccccc3CCC12Br MOL8627
-COC1=C(C)C(=O)C2=C(C1=O)C(CO)N1C(C#N)C3CC4C(C1C2N1CCOC41)N3C MOL8628
-Cn1c(=O)n2n(c1=O)C1CCC2CC1 MOL8629
-COC(=O)C12C=CC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12 MOL8630
-COC(=O)C12CCC(C(=O)OC)(CC1)n1c(=O)n(-c3ccccc3)c(=O)n12 MOL8631
-CCOCNC=O MOL8632
-CC(C)CCC(=O)c1ccoc1 MOL8633
-COC1=CCC2=C(CCC3C2CCP3(C)=S)C1 MOL8634
-CP1(=S)CCC2C3=C(CCC21)CC(=O)CC3 MOL8635
-COc1ccc2c(c1)CCC1=C2CCS1(=O)=O MOL8636
-NC(Cc1ccc[se]1)C(=O)O MOL8637
-CN1C2C=CC(=O)C1(Cl)C1C(=O)N(c3ccccc3)C(=O)C21 MOL8638
-CC1C(c2ccccc2)OC(N2CCOCC2)C(C)(C)CN1C MOL8639
-CCOC(=O)c1c(C)c(=O)cnc2c(C#N)cnn12 MOL8640
-CN1C(=O)C(Cl)(C#N)C(c2ccccc2)N(C)C1c1ccccc1 MOL8641
-N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3nc3ccccc23)cc1 MOL8642
-O=S1(=O)CS(=O)(=O)OCCCCO1 MOL8643
-COc1nc2cc3c(cc2n2cccc12)oc1ccccc13 MOL8644
-O=C(NN=Cc1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL8645
-c1ccc2c(c1)oc1cc3c(cc12)-n1nnnc1-c1cccn1-3 MOL8646
-CC1(C)Nc2cc3c(cc2-n2cccc21)oc1ccccc13 MOL8647
-CC1=C(N2CCOCC2)C(N2CCOCC2)=C(C)C(=O)C1=O MOL8648
-O=S(=O)(O)SCCNCCCCC1CCCCC1 MOL8649
-CCNc1nc(NC(C)C)nc(-c2ccncc2)n1 MOL8650
-N=C(Nc1ccccc1)N(c1ccccc1)c1nc(=S)ss1 MOL8651
-c1ccc(N=c2nc(Nc3ccccc3)ss2)cc1 MOL8652
-CC1CNC2(c3ccccc3)CSC=C(c3ccccc3)N12 MOL8653
-CCNCC1c2ccccc2-c2nc3ccccc3nc2-c2ccccc21 MOL8654
-COc1c(-c2ccc3c(c2)OCO3)oc2cc(O)cc(O)c2c1=O MOL8655
-CCOC(=O)C(Cl)=C1SN(C(=O)OCC)N=C1C MOL8656
-O=C1C(=Cc2ccccc2O)Cc2ccccc21 MOL8657
-CC1(C)CC(Br)(C(Br)c2ccccc2)C(=O)c2ccccc21 MOL8658
-Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 MOL8659
-CC(O)c1nc2c3ccccc3ccc2n1C MOL8660
-O=[N+]([O-])c1ccc2cnc(O)nc2c1 MOL8661
-NC(CSSCC(NC(=O)c1ccccc1)C(=O)O)C(=O)O MOL8662
-O=C1NC2C(=CC(O)C(O)C2O)c2cc3c(cc21)OCO3 MOL8663
-O=C1NC2C(O)C(O)C(O)C(O)C2c2cc3c(c(O)c21)OCO3 MOL8664
-CC1C2Cc3ccc(O)cc3C1(C)CCN2CCC(=O)c1ccccc1 MOL8665
-NCCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13 MOL8666
-c1ccc2sc(CN(Cc3nc4ccccc4s3)Cc3nc4ccccc4s3)nc2c1 MOL8667
-Cn1ccc2nc(O)nc(S)c21 MOL8668
-O=C1CCSC(=O)N1c1ccccc1 MOL8669
-NC(CSSCC(NC(=O)c1ccccc1)C(=O)O)C(=O)O MOL8670
-NC(CSSCC(NC(=O)c1ccccc1)C(=O)O)C(=O)O MOL8671
-CC(O)CCC(=O)c1ccoc1 MOL8672
-CC1=Nc2ccccc2NC2(C1)C(C1COC(C)(C)O1)OC1OC(C)(C)OC12 MOL8673
-CC1=Nc2ccccc2SC2(C1)C(C1COC(C)(C)O1)OC1OC(C)(C)OC12 MOL8674
-O=C1c2ccccc2-n2c1nc1ccccc1c2=O MOL8675
-Cc1cc2nncn2c2nnnn12 MOL8676
-COc1ccc(-c2nnc3cc(C)n4nnnc4n23)cc1OC MOL8677
-Cc1cc2nnc(-c3cccc([N+](=O)[O-])c3)n2c2nnnn12 MOL8678
-Cc1cc2nnc(-c3ccc(C#N)cc3)n2c2nnnn12 MOL8679
-COc1ccc2c(c1OC)OC1CNc3cc(C)c(C)cc3N=C1C2 MOL8680
-O=c1oc(NCCCl)nc2ccccc12 MOL8681
-CC(c1ccccc1)N1OC1(c1ccccc1)c1ccccc1 MOL8682
-O=C(c1ccccc1)C1C(c2ccccc2)SC(c2ccccc2)CC1(O)c1ccccc1 MOL8683
-O=C(c1ccccc1)C1C(c2ccccc2)S(=O)C(c2ccccc2)CC1(O)c1ccccc1 MOL8684
-N#CC1(c2ccccc2)C(c2ccccc2)CC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1c1ccccc1 MOL8685
-CCOC(=O)C(C)P(=O)(OC)OC MOL8686
-N#CC(C(N)=O)C(CC(=O)c1ccccc1)c1ccccc1 MOL8687
-COC(=O)C1C(NCc2ccccc2)=CC(C)(C)C(C(=O)OC)C1c1ccccc1 MOL8688
-CC12CC(c3ccccc3N1)C1CC2(C)Nc2ccccc21 MOL8689
-CCc1cc2c(O)nc(-c3cccnc3)nc2s1 MOL8690
-c1ccc(-c2cn3nc4ccccc4c3nn2)cc1 MOL8691
-CC1(C)CN[Pt-2](Cl)(Cl)NC1 MOL8692
-C=Cc1c(C#N)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1 MOL8693
-C=Cc1c(Cl)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1 MOL8694
-Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccccc1)CN2 MOL8695
-Sc1ncnc2cc3[nH]ncc3cc12 MOL8696
-Cn1c2c(c(=O)c3cc(O)ccc31)CC(O)C(C)(C)O2 MOL8697
-Cn1c(=O)c2c(c3cc(O)ccc31)OC(C(C)(C)O)C2 MOL8698
-COc1ccc2c(c1)OC1c3ccc(O)cc3OCC21 MOL8699
-COc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1 MOL8700
-COc1ccc(CC2=CC(=NO)C(C)=CC2=O)cc1 MOL8701
-COc1c(OP2(=S)OCC(C)(C)CO2)cnn(C2CCCCC2)c1=O MOL8702
-CCC(CC)C(=O)NCC(=O)NO MOL8703
-NCCC(N)CSP(=O)(O)O MOL8704
-COc1c2occc2c(N=Cc2ccncc2)c2ccc(=O)oc12 MOL8705
-COc1c2occc2c(N=Cc2c[nH]c3ccccc23)c2ccc(=O)oc12 MOL8706
-COc1c2occc2c(N=Cc2ccc([N+](=O)[O-])cc2)c2ccc(=O)oc12 MOL8707
-COc1cccc2c1-c1nc(N)c3c(OC)cccc3c1C2=O MOL8708
-NC(=O)C1=NOC(C(N)=O)C1C1OC(CO)C(O)C1O MOL8709
-CN1C(=O)OC(c2ccc(Cl)cc2)C1=O MOL8710
-Cn1c([N+](=O)[O-])cnc1CSc1ccc(C#N)cc1 MOL8711
-Cc1cc(=O)oc2c1cc(OCC(=O)OCCN1CCCCC1)c1occ(C)c12 MOL8712
-COc1c2occc2c(OC(C)C(=O)O)c2c(O)cc(=O)oc12 MOL8713
-CCC(Oc1c2ccoc2c(OC)c2oc(=O)cc(O)c12)C(=O)O MOL8714
-CC(=O)OC1OC(=O)C(C)(C(C)=O)C1C MOL8715
-O=NN(CCCl)C(=O)N=NC(=O)N(CCCl)N=O MOL8716
-O=[N+]1C2C3CCC(C3)C2[N+](=O)[Co]12345C1=C2C3C4=C15 MOL8717
-C=C(CN(C)C)C(=O)c1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL8718
-CC(C)(SSC(C)(C)C1NC(=O)NC1=O)C1NC(=O)NC1=O MOL8719
-COC(=O)C=C(C=CC(=O)O)C(=O)O MOL8720
-CC(=NNC(=S)N1CC2CCC(CC2)C1)c1cccc[n+]1[O-] MOL8721
-CC(=NNC(=S)N1CCCCCC1)c1cccc[n+]1[O-] MOL8722
-CCCCN(CCCC)CC(N=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 MOL8723
-CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C MOL8724
-O=C1C=CC2C3C(=O)N(c4ccccc4)C(=O)C3C1N2Cc1ccccc1 MOL8725
-CC(C)(C)C1CCC2(N3CCOCC3)C(C#N)CC2C1 MOL8726
-O=C(Cn1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1 MOL8727
-Cc1csc2nc(-c3ccccc3)cn12 MOL8728
-Cc1cn2c(n1)sc1ccccc12 MOL8729
-CC1(C)SC=C2C1=CSC2(C)C MOL8730
-CC(C)(C)C1CCC2(N3CCOCC3)C(C#N)CC2C1 MOL8731
-COc1ccc(CCN2C(=O)CCC3=C2CCCC3=O)cc1OC MOL8732
-CC(C)N1C(=O)N(Cl)C2C1N(Cl)C(=O)N2Cl MOL8733
-OCC(O)C(O)C(O)c1nn(-c2ccccc2)c2nc3ccc(Cl)cc3nc12 MOL8734
-Cc1cc2nc3c(C(O)C(O)C(O)CO)nn(-c4ccc(F)cc4)c3nc2cc1C MOL8735
-CC(=O)NCCSSCc1ccccc1CS(=O)O MOL8736
-OC1(c2ccccc2)c2ccccc2N=C2NCCN21 MOL8737
-O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O MOL8738
-Cn1cc2c(c1-c1ccccc1)[n+](=O)[c-]1cccc[c-]1[n+]2=O MOL8739
-N#CC1=C(O)NC(O)=C(C#N)C12C(=O)Nc1ccccc12 MOL8740
-CCC(C)C(N)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)CC MOL8741
-CN1CCc2sccc2C(c2ccccc2)O1 MOL8742
-CN1C(=O)C2CC(O)C(SC3CC4C(=O)N(C)C(=O)C4CC3O)CC2C1=O MOL8743
-COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=CC(O)C(O)C(O)C(O)C(=O)O MOL8744
-COc1cc2c(c(OC)c1OC)-c1cccc(=O)cc1C(NC(C)=O)CC2 MOL8745
-CC1=NN(c2ccccc2)C(=O)C1=Nc1c(C)nn(-c2ccccc2)c1O MOL8746
-CCOC(=O)c1ccc2c(O)nnc(CO)c2c1 MOL8747
-C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)CCCC(=O)OC3C4C(=C)C(=O)OC4CC(C)C4C=CC(=O)C43C)C12 MOL8748
-COC1=CC2(C=CC1=O)CCC(=O)O2 MOL8749
-Cc1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] MOL8750
-C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1C MOL8751
-C=CCOc1cc2c(cc1C(C)c1ccc(OC)cc1)OCO2 MOL8752
-CC(NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc[n+]1[O-] MOL8753
-COc1cc(C(C)c2cc3c(cc2OCCO)OCO3)cc(OC)c1OC MOL8754
-COc1ccc(Cl)c2c3nn4c(nc-3nc12)[nH]c1cc(Cl)ccc14 MOL8755
-CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1 MOL8756
-Nc1ncnc2c(C3OC(CO)C(O)C3O)c[nH]c12 MOL8757
-Nc1nc(O)c2c(n1)[nH][cH-][n+]2=O MOL8758
-Cc1nn(-c2ccccn2)c2ncnc(N)c12 MOL8759
-O=c1c2ccccc2nc(-c2ccccc2)n1-c1nccs1 MOL8760
-O=C1Cn2c(cc(=O)c3ccccc32)O1 MOL8761
-O=C(Cn1c(=O)cc(Nc2ccccc2)c2ccccc21)Nc1ccccc1 MOL8762
-OCc1ccc2ccc3ccc(CO)nc3c2n1 MOL8763
-c1ccc(C2=NOCCCOc3ccccc32)cc1 MOL8764
-C=CCNC(=S)Nc1ccccn1 MOL8765
-CC1=C(C#N)C2(N)OC1(C)C1C(=O)C=CC(=O)C12 MOL8766
-Cc1cc(=O)c2cc3nc(-c4cccnc4)oc3c(Br)c2o1 MOL8767
-NC(=O)c1ncn2c(=O)n(CCCl)nnc12 MOL8768
-CCOC(=O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C MOL8769
-CCOC(=O)CC(=O)Cc1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C MOL8770
-O=C1OCc2nc3cccc4cccc(c43)n21 MOL8771
-CCOCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 MOL8772
-Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1C(C)(C)C(C#N)=C(N)O2 MOL8773
-COc1cc2c(cc1OC)NCC1COc3c(ccc(OC)c3OC)C1=N2 MOL8774
-CCOc1ccc(C(C)c2cc3c(cc2OC)OCO3)cc1 MOL8775
-O=[N+]([O-])c1ccc(NN=C(N=Nc2ccccc2)c2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 MOL8776
-Cc1noc2c1NC(=O)OC(C)(C)C2 MOL8777
-Cc1noc2c1NC(=O)OCC2 MOL8778
-c1ccc(P2(c3ccccc3)=NSN=S=N2)cc1 MOL8779
-Cc1ccc(S(=O)(=O)C(CCC(=O)c2ccccc2)(CCC(=O)c2ccccc2)[N+](=O)[O-])cc1 MOL8780
-CCC(=O)O[Bi](c1ccccc1)c1ccccc1 MOL8781
-O=C(O[Bi](c1ccccc1)c1ccccc1)c1ccccc1 MOL8782
-COc1ccc2c(c1)OCCN(C)OC2c1ccccc1 MOL8783
-COc1ccc2c(c1)OCCN(C)OC2c1cccc(Cl)c1 MOL8784
-C[Ga](C)n1cccn1 MOL8785
-Cc1nn2c(=O)c3c([N+](=O)[O-])c(C)nn3c(=O)c2c1[N+](=O)[O-] MOL8786
-CC(NNC(=S)N1CCN(c2ccccn2)CC1)c1nccc2ccccc12 MOL8787
-Cc1cc(O)c2c3c(ccc2n1)Oc1ccccc1O3 MOL8788
-Cc1cc(O)c2ccc3c(c2n1)Oc1ccc2c(O)cc(C)nc2c1O3 MOL8789
-Cc1cc(O)c2c(n1)c1c(c3nc(C)c(O)cc32)Oc2ccccc2O1 MOL8790
-Cc1cc(O)c2ccc3c(ccc4c(O)cc(C)nc43)c2n1 MOL8791
-Cc1nc2c(ccc3c2ccc2c(O)c(C)c(C)nc23)c(O)c1C MOL8792
-Cc1nc2c(ccc3c2ccc2c(O)c(Cl)c(C)nc23)c(O)c1Cl MOL8793
-Cc1cc(O)c2cc3ccc4c5nc(C)cc(O)c5cc5ccc(c2n1)c3c54 MOL8794
-C=C1C(=O)OC2C=C(CO)C=CC3OC3(C)CC(OC(=O)C(C)=CCOC(C)=O)C12 MOL8795
-CCN(CC)CCOC(=O)c1cc2cc3cc(C(=O)OCCN(CC)CC)c(=O)oc3c(C)c2oc1=O MOL8796
-O=c1[nH]c(=O)n(C2OC(CF)C(O)C2O)cc1Br MOL8797
-O=c1[nH]c(=O)n(C2OC(CF)C(O)C2O)cc1N1CCOCC1 MOL8798
-COC(=O)C1=C(C(=O)OC)N2c3ccccc3-n3c(-c4ccccc4)cc(OC)c3C2(C)C(C(=O)OC)=C1C(=O)OC MOL8799
-COC(=O)c1cc2nc(NC(C)=O)sc2n1C MOL8800
-CCOC(=O)c1cc2nc(NC(=O)c3ccccc3)sc2n1C MOL8801
-CCOC(=O)Nc1nc2c(s1)c([N+](=O)[O-])cn2C MOL8802
-CCOC(=O)Nc1nc2cc(C(=O)OCC)n(C)c2s1 MOL8803
-CCOC(=O)Nc1nc2ccn(C)c2s1 MOL8804
-CCOC(=O)Nc1nc2c([N+](=O)[O-])c(Br)n(C)c2s1 MOL8805
-CCOC(=O)c1cc2sc(NC(=O)c3cccs3)nc2o1 MOL8806
-O=C(Nc1nc2ccsc2s1)c1ccccc1 MOL8807
-CCOC(=O)c1cc2sc(NC(=O)c3ccccc3)nc2o1 MOL8808
-CC1=C([N+](=O)[O-])C(N2CCOCC2)C(C)(N2CCOCC2)S1 MOL8809
-CC(C)c1nc2c(c(=O)o1)CCS2 MOL8810
-O=c1oc(-c2cccc(-c3nc4c(c(=O)o3)CCS4)c2)nc2c1CCS2 MOL8811
-CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(=O)oc(-c3ccccc3)nc12 MOL8812
-COc1cc(O)c2c(c1)C(O)C(O)CC1OC1C(=O)C=CCC(C)OC2=O MOL8813
-NCCn1c(-c2ccccc2)nc2ccccc2c1=O MOL8814
-CCOC(=O)N1N=C(c2ccccc2)OC2(N3CCOCC3)CCC(C(C)(C)C)CC12 MOL8815
-CCOC(=O)N1N=C(c2ccccc2)OC2(N3CCCC3)CCC(C(C)(C)C)CC12 MOL8816
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N2CCOCC2)C(O)C(C)O1 MOL8817
-CC=CC=CC=CC(O)CC(OP(=O)(O)O)C(C)(O)C=CC1CC=CC(=O)O1 MOL8818
-O=C1N2CCNc3ccccc3C(c3ccccc3)N1CC2 MOL8819
-CC(=NNC(=S)Nc1ccc(S(N)(=O)=O)cc1)c1ccccn1 MOL8820
-CC(=NNC(=S)N1CC2CCC(CC2)C1)c1nccs1 MOL8821
-CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1nccs1 MOL8822
-COC(=O)C1([Se]c2ccccc2)CCN2CCC(OCc3ccccc3[N+](=O)[O-])C21 MOL8823
-CN(C)CCNc1cccc2oc3ccc(O)cc3c(=O)c12 MOL8824
-Cc1ccc(S(=O)(=O)Oc2ccc3oc4cccc(NCCN(C)C)c4c(=O)c3c2)cc1 MOL8825
-Cc1ccc(S(=O)(=O)Oc2ccc3oc4c(CO)ccc(NCCN(C)C)c4c(=O)c3c2)cc1 MOL8826
-CN1C(=O)C(=NNC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 MOL8827
-Cc1ccc(C23c4ccccc4CCN2C(=O)C3N)cc1 MOL8828
-O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1 MOL8829
-COc1c(O)c(O)cc2c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL8830
-CN1CCCN=C1C=Cc1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O MOL8831
-O=C1NC(=O)C2(CCOc3ccc(F)cc32)N1 MOL8832
-O=C1NC(=O)C(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 MOL8833
-O=c1c2ccccc2c(=O)n2n1C1C=CC2C1 MOL8834
-O=c1c2ccccc2c(=O)n2n1C1CCC2C1 MOL8835
-CN(C)C1=c2c(=O)n(C)c(=O)n(C)c2=NC2C=CC=CN12 MOL8836
-CC1C(c2ccccc2)NC(c2ccccc2)CC1(N)C#N MOL8837
-COC(=O)C1=C(C(=O)OC)P2(C)(C)SC(=S)N2C1(c1ccccc1)c1ccccc1 MOL8838
-Cc1nn(C)pc1P(C)(=S)n1nc(N(C)C)np1 MOL8839
-c1ccc(-c2cnnc3c4ccccc4nn23)cc1 MOL8840
-c1ccc(-c2nnc3nn4c(-c5ccccc5)cnnc4c3c2-c2ccccc2)cc1 MOL8841
-Cc1cnnc2c3ccccc3nn12 MOL8842
-CN(C)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12 MOL8843
-CCN(CC)CCNc1cccc2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12 MOL8844
-CCN(CC)CCNc1ccc(CO)c2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12 MOL8845
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccccn1 MOL8846
-COc1cc(C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC MOL8847
-Cn1c2ccc(Cl)cc2c2oc(-c3nnn[nH]3)cc(=O)c21 MOL8848
-O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O MOL8849
-CCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(=S)C1 MOL8850
-CCN(CC)C1=Nc2ccccc2N(c2ccccc2)C(SC)=C1 MOL8851
-C1=C(N2CCOCC2)N(c2ccccc2)c2ccccc2N=C1N1CCCC1 MOL8852
-CCCCCC1=CC2C(=O)NC(=O)NC12 MOL8853
-CCN(CC)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12 MOL8854
-O=C(c1ccccc1)N1OC12CCCCC2 MOL8855
-COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)COc1ccccc1)CC2 MOL8856
-COc1cc2c(cc1O)Cc1c-2[n+](C)cc2cc(OC)c(OC)cc12 MOL8857
-COc1c2occc2c(N=Cc2ccccn2)c2ccc(=O)oc12 MOL8858
-CCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 MOL8859
-CCCCCCN1CCN(Cc2ccc(N(CC)CC)cc2)C(=O)C1=O MOL8860
-CC(=O)O.CNCCNc1ccc2c3c(nn2CCNCCO)-c2c(O)ccc(O)c2C(=O)c13 MOL8861
-Cc1cn(C2CC3OP(=O)(OCc4ccccc4)OCC3O2)c(=O)[nH]c1=O MOL8862
-Cc1cn(C2CC3OP(=O)(C(C)(C)C#N)OCC3O2)c(=O)[nH]c1=O MOL8863
-CN(C)P1(=O)NCC(C)(C)CO1 MOL8864
-Nc1nc(S)nc2nc3c4ccccc4c4ccccc4c3nc12 MOL8865
-Oc1nc2ccccc2c(O)c1-[n+]1ccccc1 MOL8866
-O=S1(=O)CC(N2CCOCC2)C2=C(O1)c1sc(-c3ccccc3)nc1CC2 MOL8867
-O=C1NC(Cc2ccccc2)C(=O)N2CSCC12 MOL8868
-O=C1OC(=O)N2CSCC12 MOL8869
-O=Nc1c2n[nH]c1CCCCCCCCC2 MOL8870
-C=CCC(C=C=CCN(C)C)CO MOL8871
-C=C=C(C)C(C(C)C)N1CCCC1 MOL8872
-C=C=C(C)CN(CC)CC MOL8873
-C=C=C(C)C(c1ccccc1)N(C)C MOL8874
-O=C(N=NC(=O)N1CCOCC1)N1CCOCC1 MOL8875
-O=C(N=NC(=O)N1CCCCC1)N1CCCCC1 MOL8876
-CN1CCN(C(=O)N=NC(=O)N2CCN(C)CC2)CC1 MOL8877
-CN(C)c1cc[n+](C2C(=O)c3ccccc3N(c3ccccc3)C2=O)cc1 MOL8878
-CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)CCO3 MOL8879
-COc1nc(N)nc2c1CSc1ccccc1-2 MOL8880
-Cn1c(N)c2c(=O)n(C)c3c(c2c(C#N)c1=O)CCSc1ccccc1-3 MOL8881
-c1cnc2c(c1)Oc1nc3ccccc3nc1S2 MOL8882
-C=CCC1(c2ccc(OC)cc2)C=CC(=O)CC1 MOL8883
-CCOC(CN(C)C(=O)OCC(Cl)(Cl)Cl)OCC MOL8884
-O=C(CC1C=CCS1(=O)=O)NCc1ccccc1 MOL8885
-C=C1c2ccccc2CCN1CC(=O)CC1C=CCS1(=O)=O MOL8886
-CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1ccccn1 MOL8887
-CC[Sn]1(CC)OC(=O)O[Sn](CC)(CC)O1 MOL8888
-CC=C(N=C=S)C(=O)OC1C(COC(C)=O)OC(C2(O)CC(=O)C(N)=C(C(=O)O)C2=O)C(O)C1OC1CC(OC)C(O)(C(C)OC(=O)C(C)CC)C(C)O1 MOL8889
-Nc1nc(-c2ccccc2)nc2nc3c(nc12)-c1cccc2cccc-3c12 MOL8890
-CC1=NNC(=O)C1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O MOL8891
-N#Cc1cc2ccccc2n(Cc2ccccc2)c1=O MOL8892
-COC=C=CC(C)(C)OC MOL8893
-CN1C(=O)C(=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2ccccc21 MOL8894
-CN1C(=O)C(=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c2cc(Br)ccc21 MOL8895
-CC1(C)OC2C(CF)OC(n3cc(Br)c(=O)[nH]c3=O)C2O1 MOL8896
-CCCC(O)(CCC)C1=NCCN1 MOL8897
-CNC(=O)OCn1cnc(Cl)c1Cl MOL8898
-CS(=O)CC(=O)c1ccccn1 MOL8899
-O=C1NC(=O)C2=C(CCCC2)C1=Cc1ccccc1 MOL8900
-Cc1cc(C)c(C2=NOC3c4ccccc4OCC23)c(C)c1 MOL8901
-O=C(c1ccccc1)C12COc3ccccc3C1ON=C2c1ccccc1 MOL8902
-COc1ccccc1C=CC(=O)c1ccccc(=O)c1O MOL8903
-COc1ccc(C=CC(=O)c2ccccc(=O)c2O)cc1 MOL8904
-Cc1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccccn1 MOL8905
-CC(C)=CCc1cc2c(cc1O)OCC1c3cc4c(cc3OC21)OCO4 MOL8906
-c1cc2cc3c(cc2o1)OCC1c2cc4c(cc2OC31)OCO4 MOL8907
-O=C1C(=Cc2ccc(O)cc2)Oc2cc(O)ccc21 MOL8908
-CC(=CCOc1ccc2ccc(=O)oc2c1)CC1C=C(C)C(=O)O1 MOL8909
-N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN MOL8910
-CC(=O)O.Nc1nc(O)nc2nc3c(nc12)-c1cccc2cccc-3c12 MOL8911
-CN(C)C=O.Oc1nc(O)c2nc3c(nc2n1)-c1cccc2cccc-3c12 MOL8912
-NCCSC(C[N+](=O)[O-])c1ccccc1Cl MOL8913
-CCCCCC(C)(O)C1=NCCN1 MOL8914
-[O-][n+]1c2ccccc2cc2c1c1ccccc1n2O MOL8915
-COn1c2ccccc2c2c1cc1cccc[c-]1[n+]2=O MOL8916
-Cn1c2ccccc2c2[nH]c3ccccc3c(=O)c21 MOL8917
-O=c1oc2c(ccc3nc(-c4ccccc4)sc32)c(N2CCOCC2)c1Cl MOL8918
-COc1ccc2[nH]c(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1 MOL8919
-COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc(OS(C)(=O)=O)c(OC)cc1-3 MOL8920
-NC(=O)C1=CC2C3C=CC2(O)C(=O)OC3O1 MOL8921
-O=C1CN2Cc3c(sc4c3CCCC4)NC2=N1 MOL8922
-O=C(Nc1cccc(NC(=O)c2nnn[nH]2)n1)c1nnn[nH]1 MOL8923
-Cc1nc2ccccc2c2nnc(SCC(=O)N(Cc3ccccc3)c3ccccc3)n12 MOL8924
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N2CCOCC2C#N)C(O)C(C)O1 MOL8925
-CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl.CS(=O)(=O)O MOL8926
-Cc1nc2ccc3c(ccc4nc(C)c(N=Nc5ccc(C(=N)N)cc5)c(O)c43)c2c(O)c1N=Nc1ccc(C(=N)N)cc1 MOL8927
-CNc1nc2c(C)ccc3[nH]c(N(C)C)nc3c-2n1 MOL8928
-NCP1(=O)CNC(=O)NC1 MOL8929
-CCOC1CSc2ccccc2C(c2ccccc2)=N1 MOL8930
-COC(=O)C1=C(N)SSC1=C[N+](=O)[O-] MOL8931
-COC(=O)C1=C(N)SSC1=C(N=Nc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] MOL8932
-O=C(Nc1nc(-c2ccccc2)cs1)OCC(Cl)(Cl)Cl MOL8933
-CC[n+]1c(-c2cnccn2)n(C)[nH]c1=S MOL8934
-NCCCNCCSSCCNCCCN.O=P(O)(O)O MOL8935
-CCOC(=O)C1Sc2c(c(=O)n(C)c3ccccc23)C1=O MOL8936
-Brc1ccc(-c2ccc3nnnn3n2)s1 MOL8937
-CC1(C)C(=O)NC(=O)c2ccccc21 MOL8938
-O=S(Cl)C(Cl)=C(Cl)Cl MOL8939
-Cc1nsnc1CCO MOL8940
-Cc1nc(Nc2ccccc2C)c2ccsc2n1 MOL8941
-Cc1nc(Nc2ccccc2Cl)c2ccsc2n1 MOL8942
-CC(=O)c1ccc2c(c1)NC(=O)CC(C)N2 MOL8943
-CC1CC(=O)Nc2cc(C(F)(F)F)ccc2N1 MOL8944
-CC(=O)N1N=C(C)C2ON=C(c3ccc(Cl)cc3)P21 MOL8945
-CC1=NN(c2ccccc2)[As]2ON=C(c3ccc(Cl)cc3)C12 MOL8946
-CSC1=Nc2ccccc2SC(c2ccccc2)C1c1ccccc1 MOL8947
-CC1(C)C2CCC(C2)C1C=C1SC(=S)NC1=O MOL8948
-CSC1=Nc2sc3c(c2CN1)CCCC3 MOL8949
-C[n+]1c(-c2ccc(C=NNC(=N)N)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1 MOL8950
-NC(CCSCc1ccccc1)P(=O)(O)O MOL8951
-NC(CCSSCCC(N)P(=O)(O)O)P(=O)(O)O MOL8952
-CS(=N)(=O)CCC(N)P(=O)(O)O MOL8953
-CCCCS(=N)(=O)CCC(N)P(=O)(O)O MOL8954
-CCOC(=O)c1sc2nc(CN3CCOCC3)nc(O)c2c1C MOL8955
-CNC(=O)c1ccccc1CNC(=S)Nc1cccc(C)c1 MOL8956
-N=C1NCc2c(sc3c2CCCC3)N1 MOL8957
-Cc1nc2cc(C)[nH]c(=O)n2n1 MOL8958
-O=[N+]([O-])c1ccc(NN=C2CCCCC(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS(=O)(=O)C2)c([N+](=O)[O-])c1 MOL8959
-Cc1nc(O)nc(O)c1CCSSCCc1c(C)nc(O)nc1O MOL8960
-CC1CC12OC(=O)N(c1cc(Cl)cc(Cl)c1)C2=O MOL8961
-Cc1c(C=CC(=O)O)no[n+]1[O-] MOL8962
-O=C1N(CCO)C2=CCCCC23c2[nH]c4ccccc4c2CCN13 MOL8963
-N#CC=Cc1ccc([N+](=O)[O-])s1.N#CC=Cc1ccc([N+](=O)[O-])s1 MOL8964
-CC(=O)SCCCn1c(=O)n(CCCSC(C)=O)c(=O)n(CCCSC(C)=O)c1=O MOL8965
-CC(=O)Nc1cc2cc(N)ccc2oc1=O MOL8966
-Nc1cc2cc([N+](=O)[O-])ccc2oc1=O MOL8967
-Cc1ccc2c(c1)C1(C)OC(C=CC1=O)O2 MOL8968
-NC(=O)C(NC=O)c1ccccc1 MOL8969
-CN1C(c2ccccc2)CC(=NOCc2ccccc2)CC1c1ccccc1 MOL8970
-CCCC(=O)Nc1ccc(C2=NNC(=O)C3CC23)cc1 MOL8971
-O=C(O)CCCCSCCCCCCSCCCCC(=O)O MOL8972
-O=C(O)CCCCCSCCCCCCSCCCCCC(=O)O MOL8973
-CC(SCCCCCCSC(C)C(=O)O)C(=O)O MOL8974
-O=C(O)CCSCCCCCCCCCCSCCC(=O)O MOL8975
-CC(SCCCCCCCCCCSC(C)C(=O)O)C(=O)O MOL8976
-O=C(O)CCSCCCCCCCCCCCCSCCC(=O)O MOL8977
-CC(SCCCCCCCCCCCCSC(C)C(=O)O)C(=O)O MOL8978
-COc1ccc(C2CN(C(=O)c3ccccc3)N=C(c3ccccc3)O2)cc1 MOL8979
-Cc1cc2c(cc1C)Nc1oc3ccc4ccccc4c3c(=O)c1C=N2 MOL8980
-CN1c2ccccc2N=Cc2c1oc1ccc3ccccc3c1c2=O MOL8981
-COC1=C(c2c[nH]c3ccc(CC=C(C)C)cc23)C(=O)C(OC)=C(c2c[nH]c3ccc(CC=C(C)C)cc23)C1=O MOL8982
-N[Ru-4](N)(N)(N)(N)Oc1c(O)c(=O)c1=O MOL8983
-[O-][n+]1c(O)c(S)[n+]([O-])c2ccccc21 MOL8984
-CC1C(=O)OCC2=C3CC(CCC3(C)C=CC2=O)C(C)C(=O)OCC2=C3CC1CCC3(C)C=CC2=O MOL8985
-Cc1ccn2cc(-c3ccc(C=NNC(=N)N)cc3)[n+](C)c2c1 MOL8986
-CC(=O)OCC(OC(C)=O)C(Cl)CCl MOL8987
-O=NNc1cnccn1 MOL8988
-c1cnn(P2(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=NP(n3cccn3)(n3cccn3)=N2)c1 MOL8989
-O=C(O)Cc1cccc2c(=O)c(-c3ccccc3)coc12 MOL8990
-CC1=C2CCCCCC2(O)OC1=O MOL8991
-CC(c1ccccc1)C(O)S(=O)(=O)O MOL8992
-Cn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc21 MOL8993
-CC(=O)Nc1cc2cc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2oc1=O MOL8994
-CC(=O)Nc1cc2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2oc1=O MOL8995
-O=c1oc2ccccc2c2c1Sc1ccccc1N2 MOL8996
-C(=NNc1nnc2c(n1)[nH]c1ccccc12)c1cccnc1 MOL8997
-COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2 MOL8998
-CCNCC.C[c-]1c(=O)n(O)c2ccccc2[n+]1=O MOL8999
-COCC(O)COn1c(=O)[c-](C#N)[n+](=O)c2ccccc21 MOL9000
-CC(C)(C)N1COCOC2CCCC21 MOL9001
-c1ccc(CN2COCOC3CCCC32)cc1 MOL9002
-CC(=O)OCC1OC([n+]2c(O)cc(=O)n3ccsc32)C(OC(C)=O)C1OC(C)=O MOL9003
-O=c1cc(O)[n+](C2OC(CO)C(O)C2O)c2sccn12 MOL9004
-CC(=O)OCC1OC([n+]2c(O)cc(=O)n3ccsc32)C(OC(C)=O)C1OC(C)=O MOL9005
-CC(=O)OCC1OC(Nc2nncs2)C(OC(C)=O)C1OC(C)=O MOL9006
-CCN(CC)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL9007
-CCN(CC)CCN1C(=O)c2cccc3cc(OC)cc(c23)C1=O MOL9008
-CCN(CC)CCN1C(=O)c2cccc3c(N)c(OC)cc(c23)C1=O MOL9009
-Cc1oc2c(c(C)nn2-c2ccccc2)c(=O)c1Cl MOL9010
-CC(=O)N(O)C(C)=O MOL9011
-COC(=O)C1=C(C=CC(C)=O)NC(C)=C(C(=O)OC(C)C)C1c1ccccc1Cl MOL9012
-CC(N1CCS(=O)(=O)CC1)P(=O)(O)O MOL9013
-N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)O)c1=O MOL9014
-N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CCC(=O)O)c1=O MOL9015
-N#Cc1c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)nn(CCO)c1=O MOL9016
-N#Cc1c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)c(Cl)c2)nn(CCO)c1=O MOL9017
-CN1C(=O)CCCCCCCCCCSc2ccccc21 MOL9018
-CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(S)c(C(O)(C(F)(F)F)C(F)(F)F)c1 MOL9019
-OCCN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1 MOL9020
-CC1CC(Nc2ccc(NC3=CC(=O)OC(C)C3)cc2)=CC(=O)O1 MOL9021
-COc1ccc(N2CCCSC2=S)cc1 MOL9022
-NC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1 MOL9023
-CCOC(=O)c1cn(C)c2c1C(=O)C(C(=O)OCC)CC(=O)N2 MOL9024
-O=C(O)c1nn(-c2ccccc2-c2nnc(O)nc2O)c(=O)[nH]c1=O MOL9025
-Cn1nnc2c(C(N)=O)ncn2c1=O MOL9026
-O=[N+]([O-])c1ccc(C=C2C=CN(CCO)C=C2)cc1 MOL9027
-CC[Sn](CC)(SCCS(=O)(=O)O)SCCS(=O)(=O)O.N=C(N)N MOL9028
-CCCC[Sn](CCCC)(SCCS(=O)(=O)O)SCCS(=O)(=O)O.N=C(N)N MOL9029
-C[Sn](C)(SCCS(=O)(=O)O)SCCS(=O)(=O)O MOL9030
-CC[Sn](CC)(SCCS(=O)(=O)O)SCCS(=O)(=O)O MOL9031
-CCCC[Sn](CCCC)(SCCS(=O)(=O)O)SCCS(=O)(=O)O MOL9032
-CC(=NNC(=S)N1CCC(C2CCN(C(=S)NN=C(C)c3ccccn3)CC2)CC1)c1ccccn1 MOL9033
-CSC(=NN=C(C)c1ccccn1)SSC(=NN=C(C)c1ccccn1)SC MOL9034
-C1COCCOCCOCCOCCOCCO1.Cl[Sn](Cl)(c1ccccc1)c1ccccc1 MOL9035
-C1COCCOCCOCCOCCOCCO1.C[Sn](C)(Cl)Cl MOL9036
-COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(CO)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-] MOL9037
-Nc1nc(C=O)nc2c1ncn2C1OC(CO)C(O)C1O MOL9038
-NC(=O)c1nc(C2OC(CO)C(O)C2O)cs1 MOL9039
-NCCCCCC(CCN)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O MOL9040
-CC1C2C1C1C3NN=CC3C2n2c(=O)n(-c3ccccc3)c(=O)n21 MOL9041
-CCCCN(CCCC)c1cc(=O)nc2ccccn12 MOL9042
-CCN(c1ccccc1)c1cc(=O)nc2ccccn12 MOL9043
-CCN(CC)c1c([N+](=O)[O-])c(=O)nc2ccccn12 MOL9044
-COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 MOL9045
-[N-]=[N+]=NCCOCn1ccc(=O)[nH]c1=O MOL9046
-Cc1ccc(N=NN(C)C)cc1NC(=O)NCC(=O)OC(C)(C)C MOL9047
-c1ccc2c(c1)[nH]c1c2nc2ncccn21 MOL9048
-c1ccc2c(c1)[nH]c1c2nc2ccccn21 MOL9049
-Cc1ccc(C2(O)c3ccccc3N=NN2C)cc1 MOL9050
-CN1N=Nc2ccccc2C1(O)c1ccc(F)cc1 MOL9051
-CCOCCN(CCOCC)C(=O)c1ccc2c(c1)no[n+]2[O-] MOL9052
-CNC.Cn1c(=S)[nH]n(CCOc2ccccc2)c1=S MOL9053
-C=C1C(=O)C23CC1C(O)C(OC(C)=O)C2C1(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C)C1CC3OC(C)=O MOL9054
-Cc1nc2ccnn2c(O)c1CCc1ccccc1 MOL9055
-COC1=C(OC)C(=O)C(C(=O)CCCCC(=O)O)=C(C)C1=O MOL9056
-Cc1nc2c(cnn2C)cc1CCc1ccccc1 MOL9057
-COC(=O)C12CC3CC(CC(NC(=O)C(Cc4ccccc4)NC(=O)CN)(C3)C1)C2 MOL9058
-Cl[Pt-4]1(Cl)(Cl)(Cl)NC2CCCCC2N1 MOL9059
-OC1CSc2ccccc2-n2cccc21 MOL9060
-O=C1CSc2ccccc2-n2cccc21 MOL9061
-NC(=O)C1=Cc2cccn2-c2ccccc2S1 MOL9062
-O=c1oc2ccccc2c2c1SC(c1ccncc1)C2 MOL9063
-CN1C2C=CC1c1c(C3=NC(C)(C)CO3)cccc12 MOL9064
-COc1ccc2c(c1)CCC1=C2CC(=O)N2CCCCN12 MOL9065
-CN(C)CN1C(=O)SC(=C2C(=O)N(CN(C)C)c3ccccc32)C1=O MOL9066
-CC(=O)OCCN1CCOC(O)(c2cccc(C(F)(F)F)c2)C1 MOL9067
-O=C1NC2(CN3CCC2CC3)C(=O)N1CN(Cc1ccccc1)c1ccccc1 MOL9068
-O=c1c2ccccc2c2nccn2c2ccccc12 MOL9069
-CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1cccc2cccnc12 MOL9070
-O=C1CN2C(=O)Nc3ccccc3C2=N1 MOL9071
-O=c1n(-c2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 MOL9072
-O=C1c2cccc(NCCNCCO)c2C(=O)c2cccc(NCCNCCO)c21 MOL9073
-O=C1c2cccc(NCCCNCCO)c2C(=O)c2cccc(NCCCNCCO)c21 MOL9074
-CN1CCC(c2ccccc2)C(O)C1 MOL9075
-CCOC(=O)C(CCCCn1cnc2ncnc(Cl)c21)(NC(C)=O)C(=O)OCC MOL9076
-c1cc(-c2ncc3ccncc3n2)ccn1 MOL9077
-COc1ccc2c(c1)CCC1C=NOC21 MOL9078
-c1ccc(C[N+]23CCC(CC2)C3c2ccccc2)cc1 MOL9079
-C=Cc1cc[n+]([Cu-2](Cl)Cl)cc1 MOL9080
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N(C)c4ccc(O)cc4)C3=O)N1CC1NC12 MOL9081
-O=C1NC2CC1C(O)C2O MOL9082
-Clc1nc(Cl)nc(Nc2ncccn2)n1 MOL9083
-C[n+]1c(-c2ccc(C=NNC(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9084
-C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21 MOL9085
-CCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1 MOL9086
-O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12)c1ccccc1.[NaH] MOL9087
-Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Cl)n3)c2)c2c1C(=O)c1ccccc1C2=O MOL9088
-COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC MOL9089
-CCC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O MOL9090
-CCC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(CO)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O MOL9091
-CCOC(=O)C(C)(C)Oc1ccc(N=[N+]=[N-])cc1 MOL9092
-CC1=CC(O)(c2ccccn2)P(=O)(c2ccccc2)C=C1C MOL9093
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Pt-4]2(Cl)(Cl)(Cl)[n+]2ccccc21 MOL9094
-C=CCC12CC(O)C(O)CC1(OC)OC(c1cc(OC)c(OC)c(OC)c1)C2C MOL9095
-C=CCC12CC(OC)C(O)CC1(O)OC(c1cc(OC)c(OC)c(OC)c1)C2C MOL9096
-C=CCC1(C(C)C(O)c2cc(OC)c(OC)c(OC)c2)CC(O)C=CC12OCCO2 MOL9097
-C=CCC12CC(O)C(O)CC1(O)OC(c1cc(OC)c(OC)c(OC)c1)C2C MOL9098
-O=C1CC2(CC=CCC23OCCO3)CC(CI)O1 MOL9099
-COc1ccc(NC(=O)N=C2CN(C(=O)c3c(F)cccc3F)C(=O)N2c2ccc(OC)cc2)cc1 MOL9100
-Oc1ccnc(Nc2cccnc2S)n1 MOL9101
-c1ccc2c(c1)[nH]c1c(N3CCOCC3)nnc(N3CCOCC3)c12 MOL9102
-c1ccc2c(c1)[nH]c1c2nc2sccn21 MOL9103
-COc1ccc(C(C)(C)c2cc3c(cc2OC)OCO3)cc1 MOL9104
-N#C[c-]1c(=O)n(O)c2ccccc2[n+]1=O MOL9105
-c1ccc2c(c1)[nH]c1c2c(N2CCOCC2)nn2cnnc12 MOL9106
-CCN(CC)CC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 MOL9107
-O=C1CC2(CC=CCC23OCCO3)CC(CI)O1 MOL9108
-NCCN(CCCl)CCCl MOL9109
-CC(=O)c1c(C)n(C)c2c1nnc1ccccc12 MOL9110
-C[n+]1c(-c2ccc(C=NNC(=S)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9111
-CC1(C)COC(c2cccc3c2C2C=CC3O2)=N1 MOL9112
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCCC4)C3=O)N1CC1NC12 MOL9113
-COc1ccc2nccc(NCCCN3CCN(CCCNc4ccnc5ccc(OC)cc45)CC3)c2c1 MOL9114
-O=C(O)O.O=C1C=C(N2CCN(CCO)CC2)C(=O)c2c(N3CCN(CCO)CC3)cc(N3CCN(CCO)CC3)nc21 MOL9115
-c1ccc(-c2nnc3sc4ccccc4n23)cc1 MOL9116
-O=C1CC2C3C1N(c1ccc(Cl)cc1)C1(Nc4ccc(Cl)cc4)C(=O)CC(C31)N2c1ccc(Cl)cc1 MOL9117
-Nc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(N)cc2)cc1 MOL9118
-Nc1nc(O)c2nc(CO)ccc2n1 MOL9119
-O=C1CC2C(C1Nc1ccccc1)C1C(=Nc3ccccc3)C(Nc3ccccc3)=CC1N2c1ccccc1 MOL9120
-CCN(CC)C(=Nc1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl MOL9121
-CSc1c(N(C)C)c(=O)c1=S MOL9122
-CCC(=O)N=c1sc(SCc2ccccc2)nn1C(=O)SC.CSC(=O)N=c1sc(SCc2ccccc2)nn1C(=O)SC MOL9123
-Cc1cc(C)c2c(c1N)C(=O)CCO2 MOL9124
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=CC1=O MOL9125
-Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 MOL9126
-COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)c1ccccc1)CC2 MOL9127
-COc1ccccc1OCC(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)OC(N)=O MOL9128
-CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)-c1ccc(OC)cc1CCC2 MOL9129
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1.CS(=O)(=O)O MOL9130
-O=C(Nc1ccccc1)c1c(O)nc(O)nc1O MOL9131
-Cc1c(O)c(O)c(C)c(CCN)c1O MOL9132
-CS(=O)CCN=Cc1ccc(N=Nc2ccc(O)cc2)cc1 MOL9133
-CC(=O)Nc1cnc2c(nc3cc(C)ccn32)c1C MOL9134
-CC(=O)N(C(C)=O)c1cnc2c(nc3cc(C)ccn32)c1C MOL9135
-COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccc(Cl)cc1)C(=S)N2c1ccccc1C MOL9136
-Cc1ccccc1N1C(=S)N(c2ccc(Cl)cc2)C2=Nc3ccccc3NC1=C2N=Nc1cc(Cl)ccc1Cl MOL9137
-Cc1ccc(N2C(=S)N(c3ccccc3C)C3=C(N=Nc4ccc(Cl)cc4)C2=Nc2ccccc2N3)cc1 MOL9138
-Cc1ccc(N2C(=S)N(c3ccccc3C)C3=C(N=Nc4ccccc4)C2=Nc2ccccc2N3)cc1 MOL9139
-Cc1ccc(N=NC2=C3Nc4ccccc4N=C2N(c2ccc(C)cc2)C(=S)N3c2ccccc2C)cc1 MOL9140
-COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccccc1OC)C(=S)N2c1ccccc1C MOL9141
-COc1ccccc1N1C(=S)N(c2ccccc2C)C2=C(N=Nc3ccccn3)C1=Nc1ccccc1N2 MOL9142
-COc1ccccc1N=NC1=C2Nc3ccccc3N=C1N(c1ccccn1)C(=S)N2c1ccccc1C MOL9143
-Cc1ccccc1N1C(=S)N(c2ccccn2)C2=Nc3ccccc3NC1=C2N=Nc1ccccn1 MOL9144
-Cc1ccc(N=NC2=C3Nc4ccccc4N=C2N(c2ccccn2)C(=S)N3c2ccccc2C)cc1 MOL9145
-COC(=O)C1(C(=O)OC)CCCC2=NOC3CCC1C23 MOL9146
-CC(=O)O.Nc1nc(O)nc2nc3c(nc12)-c1cccc2cccc-3c12.O=S(=O)(O)O MOL9147
-Cc1nnc2c3nccnc3c(Cl)nn12 MOL9148
-Cc1nnc2c3nccnc3c(=N)[nH]n12 MOL9149
-COC1=CC=C2Nc3nc(N)nc(O)c3SC2N1 MOL9150
-c1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1 MOL9151
-Cc1csc2nc(-c3cccs3)nn12 MOL9152
-Clc1ccc(-c2csc3nc(-c4cccs4)nn23)cc1 MOL9153
-Cc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12 MOL9154
-Cc1cn2c(n1)Nc1sc3c(c1C2)CCCC3 MOL9155
-c1cc(SSc2ccncc2)ccn1 MOL9156
-Cc1c(O)c2ccccc2c2c1sc(NCCCN(CCO)CCO)[n+]2C MOL9157
-C=CCNc1nc2c(s1)c(C)c(O)c1ccccc12 MOL9158
-Cc1c(O)c2ccccc2c2c1sc(NCCO)[n+]2C MOL9159
-COc1ccc(Nc2nc3c(s2)c(C)c(O)c2ccccc23)cc1 MOL9160
-O=C1CSC(=Nc2ccccc2)N1c1ccc(-n2c(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)nc3ccccc3c2=O)cc1 MOL9161
-O=C1CSC(c2ccccc2Cl)N1N1C(=O)CSC1c1ccccc1Cl MOL9162
-O=C1CSC(c2cccc(Cl)c2)N1N1C(=O)CSC1c1cccc(Cl)c1 MOL9163
-O=C1CSC(c2ccc(Cl)cc2)N1N1C(=O)CSC1c1ccc(Cl)cc1 MOL9164
-Nc1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 MOL9165
-COc1ccc2c(n1)Sc1nc3ccccc3nc1N2 MOL9166
-COC(=O)C1(F)C(=O)NC(=O)NC1OC MOL9167
-CCOC(=O)C(C(=O)OCC)=S1c2ccccc2Sc2ccccc21 MOL9168
-COc1ccc2c(c1OC)C1N(C)CCc3cc4c(cc3C1(OC)C2=O)OCO4 MOL9169
-Cc1csc2nc(-c3ccco3)nn12 MOL9170
-C[N+]1=[O+][Co-4]2345[O+]=[N+](C)[N-]N2c2ccccc2[S+]3CC[S+]4c2ccccc2N5[N-]1 MOL9171
-C[N+]1=[O+][Cu-5]2345[O+]=[N+](C)[N-]N2c2ccccc2[S+]3CC[S+]4c2ccccc2N5[N-]1 MOL9172
-O=C1Oc2ccccc2C2C1C1C(=O)Oc3ccccc3C12 MOL9173
-CCCCN1C(=O)C2C(C1=O)C(c1ccccc1O)C2c1ccccc1O MOL9174
-Cc1ccc(-n2c(N)c(C#N)c3c(c2=S)CCC3)cc1 MOL9175
-COc1ccc(-n2c(N)c(C#N)c3c(c2=S)CCC3)cc1 MOL9176
-Cc1ccc(C=C2NC(=[Se])N(C)C2=O)cc1 MOL9177
-ClCc1ccccc1NC1=Nc2ccccc2CO1.O=C(Nc1ccccc1CCl)Nc1ccccc1CCl MOL9178
-Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CSC2 MOL9179
-COC(=O)C(=Cc1c[nH]c2ccccc12)NC=O MOL9180
-CC1(C)OC2OC(C3COS(=O)O3)C(Cl)C2O1 MOL9181
-O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)N1CCOCC1 MOL9182
-CN(C)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 MOL9183
-COc1ccc(Cc2nnc3nc(OC)c(-c4ccc(OC)cc4)n3n2)cc1 MOL9184
-Cc1ccc(C)n1N1CCOCC1 MOL9185
-Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O MOL9186
-COc1c(OCC(O)CN2CCCCC2)c2c(C)coc2c2ccoc12 MOL9187
-C=C1C(O)C2(O)OCC34C(CC5C(C)=CC(=O)C(O)C5(C)C23)OC(=O)C(OC(=O)CC=C(C)CCCCC)C14 MOL9188
-CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C1(C)C1C2(C(=O)OC)OCC1(C3O)C1(O)C3CC(C4(O)C=COC4O3)C1(C)O2 MOL9189
-Cc1cc2cc(O)c3c(=O)c4c(O)cccc4c(=O)c3c2c(=O)c1=O MOL9190
-CC1(O)CC2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)C2(O)C(=O)C1O MOL9191
-O=C1CC2OC3=C(C(=O)CCC3)C2O1 MOL9192
-CCOC(=O)c1cnc2c3c(noc13)CCC2 MOL9193
-COc1nc(N2CCNCC2)nc2c1CCCC2.O=C(O)C=CC(=O)O MOL9194
-CC(C)Oc1nc(N2CCNCC2)nc2c1CCCC2.O=C(O)C(=O)O MOL9195
-N=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1.N=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1 MOL9196
-C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSC(C)(C)C MOL9197
-O=Nc1c(-c2ccccc2)nc2ccccn12 MOL9198
-Cc1ccn2c(N=O)c(-c3ccccc3)nc2c1 MOL9199
-Cc1ccc2nc(-c3ccccc3)c(N=O)n2c1 MOL9200
-O=Nc1c(-c2ccccc2)[nH]c2cc(-c3ccccc3)nn12 MOL9201
-O=Nc1c(-c2ccccc2)nc2cnccn12 MOL9202
-O=NC1=C(c2ccccc2)Nc2ccccc2S1 MOL9203
-O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccccc1O MOL9204
-O=c1c2ccccc2oc2nc3cc(Cl)ccc3n12 MOL9205
-O=c1c2ccccc2oc2nc3ccc(Cl)cc3n12 MOL9206
-CC(C)Oc1nc(N2CCNCC2)nc2c1CCC2.O=C(O)C(=O)O MOL9207
-O=c1c(-c2nnn[nH]2)cnc2sc3cc(Cl)ccc3n12 MOL9208
-COc1ccc(-n2c(CSc3ccc(Cl)cc3)n[nH]c2=S)cc1 MOL9209
-CC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 MOL9210
-Cc1cc(=O)oc2cc3c(cc12)CCCN3 MOL9211
-O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCCC3 MOL9212
-CCN(CC)CCOc1cccc(NC(=O)CN(CC)CC)c1 MOL9213
-COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4.c1ccccc1 MOL9214
-O=C1CCC2C3CC4N(CCC45c4ccccc4N1C25)CC3=CCBr MOL9215
-C1=C(C2CCCC3C4CC(CN23)C2CCCCN2C4)CCC2C3CC(CN12)C1CCCCN1C3 MOL9216
-CC(C=CC1OC(=O)C=CC1C)=CC(C)CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O MOL9217
-COC1C(N)C(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C(O)C2(C)O)OC(C)C1O MOL9218
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1 MOL9219
-CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4 MOL9220
-O=C(O)CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1 MOL9221
-N=c1ccc2c(nc3cccc[c-]3[n+]2=O)n1Cc1ccncc1 MOL9222
-Cn1c(=O)ccc2c1nc1cccc[c-]1[n+]2=O MOL9223
-CC1(C)CNC(=O)C(C)(C2(C)NC(C)(C)CNC2=O)N1 MOL9224
-CC(C)SSC(=O)N1CCCC1C(=O)O MOL9225
-CC(C(=O)O)n1c(=O)ssc1=O MOL9226
-Cc1ccc(Nc2nnc(CSc3ccc(Cl)cc3)s2)c(S(=O)(=O)O)c1 MOL9227
-O=C1C[O+]2CC[O+]1[Co-4]21(O)(Cl)[O+]2CC[O+]1C(=O)C2 MOL9228
-CCOC(=O)C=C1CONC(c2ccc(OC)cc2)=N1 MOL9229
-CSc1nc(N)cc(C(F)(F)F)n1 MOL9230
-OC1C=CCC2C(F)(F)C(F)(Cl)C12Cl MOL9231
-Cc1cc(O)c2c(=O)c(=O)c2c1 MOL9232
-O=c1c(=O)c2cc(O)ccc12 MOL9233
-Cc1ccc(C2(c3ccccc3)OC3OC=CC32)cc1 MOL9234
-COC1(C)C(=O)N(C)C1c1ccccc1 MOL9235
-O=C(C=Cc1ccccc1)NCCC1(O)C(=O)Nc2ccccc21 MOL9236
-Cc1ccc(-c2nc3scc(C)n3n2)cc1 MOL9237
-c1cnc(NC(Nc2cnccn2)C2CCCCC2)cn1 MOL9238
-O=c1ccc2cc3ccoc3c(OCCCCCCBr)c2o1 MOL9239
-CC(=O)Nc1cc2cc(NC=C(C#N)C#N)ccc2oc1=O MOL9240
-CC(=O)Nc1cc2cc(N=CN(C)C)ccc2oc1=O MOL9241
-CC(=O)Nc1cc2cc(NC(=O)C(Cl)(Cl)Cl)ccc2oc1=O MOL9242
-O=C1CSC(=Nc2ccc(F)cc2F)N1Cc1cccs1 MOL9243
-CC(=O)C(C(=O)CCSCCO)C(SCCO)c1ccc(Cl)c(Cl)c1 MOL9244
-O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCN(CC=Cc2ccccc2)CC1 MOL9245
-CCOC(=O)Nc1cc(NC(C)C(=NO)c2ccccc2)c([N+](=O)[O-])c(N)n1 MOL9246
-COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1 MOL9247
-COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC MOL9248
-CC(=O)N1CN=C2Sc3ccccc3N2C1 MOL9249
-CCOC(=N)CCCSSc1ccc(N=[N+]=[N-])cc1 MOL9250
-Cc1ccnc2[nH]nnc12 MOL9251
-CSc1nnc2[nH]cnn12 MOL9252
-O=C(Nc1cccc(C(F)(F)F)c1)C(Cl)=C(Cl)Cl MOL9253
-C=C1CC2(C)c3ccccc3NC(=O)C12 MOL9254
-Brc1ccc2[nH]c3nc(NN=Cc4cccs4)nnc3c2c1 MOL9255
-Brc1ccc2[nH]c3nc(NN=Cc4cccnc4)nnc3c2c1 MOL9256
-COc1ccc(C=NNc2nnc3c(n2)[nH]c2ccc(Br)cc23)cc1 MOL9257
-Cn1c2ccccc2c2nnc(NN=Cc3ccc([N+](=O)[O-])o3)nc21 MOL9258
-Cn1c2ccccc2c2nnc(NN=Cc3ccccn3)nc21 MOL9259
-Cn1c2ccccc2c2nnc(NN=Cc3cccnc3)nc21 MOL9260
-Cn1c2ccccc2c2nnc(NN=Cc3ccncc3)nc21 MOL9261
-COc1ccc(C=NNc2nnc3c4ccccc4n(C)c3n2)cc1 MOL9262
-Cn1c2ccccc2c2nnc(NN=Cc3cccs3)nc21 MOL9263
-C(=NNc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1 MOL9264
-Clc1ccc(C=NNc2nnc3c(n2)[nH]c2ccccc23)cc1 MOL9265
-COc1cc2c3c(c1OC)-c1[nH]c4ccccc4c1C1CCCN(CC2)C31 MOL9266
-C[n+]1c(-c2ccc(C=NN3CCN(N=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)CC3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9267
-COc1nc2nc(OC)nc3c(Br)cc(Br)c(n1)-n-2-3 MOL9268
-CCCOc1nc2nc(OCCC)nc3c(Br)cc(Br)c(n1)-n-2-3 MOL9269
-O=S(=O)(c1ccccc1)C1C(O)CC2OC21 MOL9270
-CC(C)(C)c1noc2c1C(=O)c1ccccc1-2 MOL9271
-CCC1(O)C(=O)Nc2ccccc2C1=O MOL9272
-OCCN1CCN(CCCN2c3cc(Cl)ccc3Sc3ccsc32)CC1 MOL9273
-COC1c2ccccc2CC(c2ccccc2)=NN1C(C)=O MOL9274
-Cc1c(C)n2c(=O)n(-c3ccccc3)c(=O)n2c1=O MOL9275
-Cc1nn2c(nnn2CCO)c1-c1ccccc1 MOL9276
-CC(=O)OCC1OC(OC(C)=O)C(On2nnc3c(-c4ccccc4)c(C)nn32)C(OC(C)=O)C1OC(C)=O MOL9277
-CC(=S)N(c1ccccc1)c1ccccc1 MOL9278
-CCC1(O)C(=O)c2ccccc2N(c2ccccc2)C1=O MOL9279
-COc1ccc2c(=O)c(S)coc2c1 MOL9280
-O=c1c(SSc2coc3ccccc3c2=O)coc2ccccc12 MOL9281
-CC(C)N1C(=O)NC2C1NC(=O)N2C(C)C.CC(C)N1C(=O)NC2NC(=O)N(C(C)C)C21 MOL9282
-COc1cc(C2c3cc4c(cc3OC3(N5CCCC5)CCCC23)OCO4)cc(OC)c1OC MOL9283
-O=c1oc2c(-c3ccccc3)nnc(O)c2c2c1CCCC2 MOL9284
-c1ccc2c(c1)NN1Nc3cccnc3N21 MOL9285
-COC(=O)c1nc(S)nc(C(=O)OC)c1C(=O)C=Cc1ccccc1 MOL9286
-COC(=O)C1=NC(=S)N=C(C(=O)OC)C12Cc1ccccc1C2=O MOL9287
-COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccccc1 MOL9288
-O=C1C(=Cc2ccccc2)CCCC12C(c1ccccc1)N2Cc1ccccc1 MOL9289
-CCCCOc1cccc(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL9290
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=CC1CCCCC1 MOL9291
-COc1cccc(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL9292
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cccc([N+](=O)[O-])c1 MOL9293
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cc(Br)cc(Br)c1O MOL9294
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 MOL9295
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(OCc2ccccc2)cc1 MOL9296
-S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3NC(=C2N=Nc2ccccc2)N1c1ccc(Cl)cc1 MOL9297
-S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3NC(=C2N=Nc2cc(Cl)ccc2Cl)N1c1ccc(Cl)cc1 MOL9298
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3)C(=Nc3ccccc3N2)N1c1ccccn1 MOL9299
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccc(Br)cc3)C(=Nc3ccccc3N2)N1c1ccccn1 MOL9300
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=Nc3ccccc3N2)N1c1ccccn1 MOL9301
-S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccccc2)N1c1ccc(Cl)cc1 MOL9302
-S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccccc2Cl)N1c1ccc(Cl)cc1 MOL9303
-S=C1N(c2ccc(Br)cc2)C2=Nc3ccccc3SC(=C2N=Nc2ccc(Br)cc2)N1c1ccc(Cl)cc1 MOL9304
-Cc1ccc(N=NC2=C3Sc4ccccc4N=C2N(c2ccc(Br)cc2)C(=S)N3c2ccc(Cl)cc2)cc1 MOL9305
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3)C(=Nc3ccccc3S2)N1c1ccccn1 MOL9306
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3ccccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1 MOL9307
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=Nc3ccccc3S2)N1c1ccccn1 MOL9308
-COc1ccccc1N=NC1=C2NCCN=C1N(c1ccccn1)C(=S)N2c1ccc(Cl)cc1 MOL9309
-S=C1N(c2ccc(Cl)cc2)C2=C(N=Nc3cc(Cl)ccc3Cl)C(=NCCN2)N1c1ccccn1 MOL9310
-Cl[Pt-2]1(Cl)NC2CCCC2N1 MOL9311
-COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)C=Cc1ccccc1 MOL9312
-COC(=O)C1=NC(=N)N=C(C(=O)OC)C12C(=O)Cc1ccccc12 MOL9313
-COC(=O)C=C(Sc1nc(Cl)c(Cl)nc1N)C(=O)OC.COC(=O)C=C1Sc2nc(Cl)c(Cl)nc2NC1=O MOL9314
-CC(C)(C)c1onc2c1C(=O)c1ccccc1-2 MOL9315
-Cn1c2ccccc2c2oc(-c3nnn[nH]3)cc(=O)c21 MOL9316
-Cn1c2ccccc2c2oc(CO)cc(=O)c21 MOL9317
-c1coc(-c2cc(-c3cc(-c4ccco4)on3)no2)c1 MOL9318
-COc1ccc2c(c1)CCc1c(-c3noc4c3CCc3cc(OC)ccc3-4)noc1-2 MOL9319
-c1ccc2c(c1)CCc1c(-c3noc4c3CCc3ccccc3-4)noc1-2 MOL9320
-O=C1N=CC2(N=N2)C(=O)N1 MOL9321
-CC1CN(CCO)CC(C)O1 MOL9322
-COc1ccc(CCn2cnn3c(=O)c4ccccc4nc3c2=O)cc1OC MOL9323
-N#Cc1n[nH]c2[nH]c(=S)sc(=N)c12 MOL9324
-Brc1ccc2c(ccc3nc4nnnn4nc32)c1 MOL9325
-COC(=O)C=Cc1cc(=O)n2c(nc3ccccc32)s1 MOL9326
-COC(=O)C=c1sc2n(c1=O)CCCCN=2 MOL9327
-O=c1cc(N2CCOCC2)n2ccccc2n1 MOL9328
-Cn1ccc2c3c(ccc21)C(N1CCOCC1)=CS(=O)(=O)O3 MOL9329
-CN(C)C1CS(=O)(=O)OC2=C1CCc1sccc12 MOL9330
-COC(=O)C1NC(C)(C(=O)OC)C2C(=O)NC(=O)C12 MOL9331
-Cc1cc2n(n1)C(C)(C)C(=O)Nc1ccc(Cl)cc1-2 MOL9332
-OC1c2cccn2-c2ccccc2SC1c1ccccc1 MOL9333
-CC(C)(C)C1=CP(=O)(c2ccccc2)C=C(C(C)(C)C)N1 MOL9334
-CC1(C)OP(=O)(O)C=C1[Se]c1ccccc1 MOL9335
-N=C1NC2CSC(CCCCC(=O)ON3C(=O)CCC3=O)C2N1 MOL9336
-O=C(CSc1nnc(CSc2ccc(Cl)cc2)n1-c1ccccc1)NC(=O)Nc1ccccc1 MOL9337
-O=NNc1ccc(SSc2ccc(NN=O)cc2)cc1 MOL9338
-Sc1nc2c(c(-c3nc(S)nc4c3CCCCC4)n1)CCCCC2 MOL9339
-O=C(Nc1cccc(F)c1)c1c(O)nc(S)nc1O MOL9340
-CC1(CO)COC(=O)C(C)(C2(C)NC(C)(CO)COC2=O)N1 MOL9341
-C=C(C)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1 MOL9342
-C=CC(=O)NC(=N)NC#N MOL9343
-C=C(C)C(=O)NC(=N)NC#N MOL9344
-C=Cc1ccccc1.N=C(N)NC(=N)N MOL9345
-CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2=C3C(=O)c3ccc(C4CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O4)c(O)c3C2=O)CCC1O MOL9346
-Cc1cc(C(F)(F)F)nc2nc3ccccc3n12 MOL9347
-O=[N+]([O-])c1ccc(C=CC=CC=CC=Cc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 MOL9348
-CNc1ncn(-c2c(C)cccc2C)c(=O)n1 MOL9349
-OCCC(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1 MOL9350
-Cc1ccc(-n2c(CSc3ccc(Cl)cc3)nnc2SCc2nc3ccccc3[nH]2)cc1 MOL9351
-CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl MOL9352
-CC1S(=O)(=O)OCCOS1(=O)=O MOL9353
-CC1S(=O)(=O)OCCCOS1(=O)=O MOL9354
-O=S1(=O)CS(=O)(=O)OCCCCCO1 MOL9355
-O=[N+]([O-])c1ccc2c(c1)N=C1OC(c3ccccc3)C(O)=C1N2 MOL9356
-Cc1cc2c(cc1C)NC1=C(O)C(c3ccccc3C)OC1=N2 MOL9357
-COc1ccccc1C1OC2=Nc3ccccc3NC2=C1O MOL9358
-Cc1c(N=Nc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)n12 MOL9359
-CC1=Nc2ncnn2C1=NNc1ccccc1 MOL9360
-O=C1N=C2NC=NN2C1=NNc1ccccc1 MOL9361
-CN1C(=O)C2CSCN2C1=S MOL9362
-O=C1C2CCSCN2C(=O)N1c1ccccc1 MOL9363
-CC1=C(C)C(=O)C2=C(OCCCO2)C1=O MOL9364
-COC(=O)CSc1nnc(CSc2ccc(Cl)cc2)n1-c1ccccc1 MOL9365
-CCOCC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 MOL9366
-CCCCOC(=O)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 MOL9367
-OC1=C2Nc3ccccc3N=C2OC1c1ccncc1 MOL9368
-CC1CCC2(CC1)CC(=O)N(N1CCCCC1)C2=O MOL9369
-CC1CCC2(CC1)CC(=O)N(N1CCOCC1)C(=O)C2 MOL9370
-O=C1NS(=O)(=O)c2cc(Cl)ccc21 MOL9371
-CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2cc(Br)ccc21 MOL9372
-CN1C(=O)C(=C2SC(=O)N(CN3CCOCC3)C2=O)c2cc(Br)ccc21 MOL9373
-CN(C)CN1C(=O)SC(=C2C(=O)N(C)c3ccc(Br)cc32)C1=O MOL9374
-Cc1ccccc1NCN1C(=O)SC(=C2C(=O)N(C)c3ccc(Br)cc32)C1=O MOL9375
-CN1C(=O)C(=C2SC(=O)N(CN3CCCCC3)C2=O)c2ccccc21 MOL9376
-CN1C(=O)C(=C2SC(=O)N(CN3CCOCC3)C2=O)c2ccccc21 MOL9377
-CCOC(=O)c1noc(Oc2ccc(Cl)cc2Cl)n1 MOL9378
-Nc1nc(O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2n1 MOL9379
-COc1ccc(SSc2ccc(OC)cc2C(=O)O)c(C(=O)O)c1 MOL9380
-Cc1cc2c(=O)cc(-c3ccccc3Cl)oc2c(C#N)c1C MOL9381
-Cc1cc2c(C)c(-c3ccccc3)c(=O)oc2c(C#N)c1C MOL9382
-CC1(C)OC2C(=O)C=C(COCc3ccccc3)C2O1 MOL9383
-CCC1=C(O)N=C2SC(C)(C)CC(NCC(C)C)=C2C1=O MOL9384
-CCc1c(O)sc2c(c1=O)=C(NCC(C)C)CC(C)(C)N=2 MOL9385
-CCOC(=O)C1=C(SC)SC(C(=O)OCC)C2C=C(C)C=CN12 MOL9386
-COc1ccc(C23OCCN2C(=O)c2ccccc23)cc1 MOL9387
-CCC(=O)c1c(O)c2ccccc2oc1=O MOL9388
-CCCCCCC(=O)c1c(O)c2ccccc2oc1=O MOL9389
-CCCCCCCCCCCC(=O)c1c(O)c2ccccc2oc1=O MOL9390
-CCCCC(=O)c1c(O)c2ccccc2oc1=O MOL9391
-CCCCCCCC(=O)c1c(O)c2ccccc2oc1=O MOL9392
-COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2 MOL9393
-COC(=O)c1c(C#N)c(O)nc(-c2ccccc2)c1-c1ccccc1 MOL9394
-COC(=O)c1nc(O)c(C#N)c(C(=O)OC)c1C(=O)C=Cc1ccccc1 MOL9395
-N=c1c2ncn3c(=O)n(-c4ccccc4)c(nc(=O)n1-c1ccccc1)c23 MOL9396
-CCCCCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 MOL9397
-O=C1CS(=O)(=O)C(c2ccccc2)N1N1C(=O)CS(=O)(=O)C1c1ccccc1 MOL9398
-O=C1CS(=O)(=O)C(c2ccc(Cl)cc2)N1N1C(=O)CS(=O)(=O)C1c1ccc(Cl)cc1 MOL9399
-O=C1CS(=O)(=O)C(c2ccccc2Cl)N1N1C(=O)CS(=O)(=O)C1c1ccccc1Cl MOL9400
-O=C1CS(=O)(=O)C(c2cccc(Cl)c2)N1N1C(=O)CS(=O)(=O)C1c1cccc(Cl)c1 MOL9401
-O=C1CS(=O)(=O)C(c2ccc(F)cc2)N1N1C(=O)CS(=O)(=O)C1c1ccc(F)cc1 MOL9402
-O=C1CS(=O)(=O)C(c2ccccc2F)N1N1C(=O)CS(=O)(=O)C1c1ccccc1F MOL9403
-O=C1CS(=O)(=O)C(c2cccc(F)c2)N1N1C(=O)CS(=O)(=O)C1c1cccc(F)c1 MOL9404
-O=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1 MOL9405
-CCC1=C(c2cccc(OC(C)=O)c2)C(C)c2ccc(OC(C)=O)cc21 MOL9406
-Cc1ccccc1-n1c(SCC(=O)NC(=O)Nc2cccc(Cl)c2)nc2c(Br)cc(Br)cc2c1=O MOL9407
-COc1ccc(-n2c(SCC(=O)NC(=O)Nc3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 MOL9408
-COc1cccc2sc(-n3c(C)nc4ccccc4c3=O)nc12 MOL9409
-OC1c2ccccc2C(O)c2c1ccc1c2CN(Cc2ccccc2)CC1 MOL9410
-O=C1CCC(NC(=O)c2ccccc2)C(=O)N1 MOL9411
-c1ccc2c(c1)OCc1nccn1-2 MOL9412
-CN1C(=O)OC2OC(C)(c3ccc(S(=O)(=O)c4ccccc4)cc3)C(=O)CC21 MOL9413
-CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CS(=O)(=O)C2 MOL9414
-Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CS(=O)C2 MOL9415
-COC(=O)c1c(COC(=O)NC(C)C)c2n(c1C)CS(=O)(=O)C2 MOL9416
-Cc1c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c2n1CS(=O)(=O)C2 MOL9417
-CNc1nc(O)c2cc(OC)c(OC)cc2n1 MOL9418
-CN1c2c(C(=O)Nc3nccs3)nn(-c3ccccc3)c2-c2ccccc2S1(=O)=O MOL9419
-CCN(CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c2c1N(C)S(=O)(=O)c1ccccc1-2 MOL9420
-CN1c2c(C(=O)NCCCN3CCOCC3)nn(-c3cccc(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O MOL9421
-COC(=O)C1N2C(=O)C=NOC2SC1(C)C MOL9422
-CN1c2ccccc2C2=C(C(=O)CCS2)S1(=O)=O MOL9423
-CN1c2ccccc2C2=C(C3=C(CS2)C(=O)CCS3)S1(=O)=O MOL9424
-Cc1noc2c1CSC1=C2S(=O)(=O)N(C)c2ccccc21 MOL9425
-CC12CN3CC(C)(C1=O)C(=O)C(C)(C3)C2=O MOL9426
-C[n+]1c(COc2ccc(C=NN3CCN(N=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)CC3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9427
-CN1C(Cl)=NS(=O)(=O)c2ccccc21 MOL9428
-CCN1C(Cl)=NS(=O)(=O)c2ccccc21 MOL9429
-CN1C(NN)=NS(=O)(=O)c2ccccc21 MOL9430
-CCN1C(NN)=NS(=O)(=O)c2ccccc21 MOL9431
-CN1C(NCCO)=NS(=O)(=O)c2ccccc21 MOL9432
-CCN1C(NCCO)=NS(=O)(=O)c2ccccc21 MOL9433
-CCN1C2=NCCN2S(=O)(=O)c2ccccc21 MOL9434
-O=S1(=O)c2ccccc2N(c2ccccc2)C2=NCCN21 MOL9435
-O=S1(=O)c2ccccc2N(c2ccccc2)c2nnnn21 MOL9436
-Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc3N2C)n1 MOL9437
-CC1=CC(C)(C)NN1C1=NS(=O)(=O)c2ccccc2N1C MOL9438
-CC1=NN(C2=NS(=O)(=O)c3ccccc3N2C)C(=O)C1 MOL9439
-CN1c2ccccc2S(=O)(=O)n2c(COc3ccccc3)nnc21 MOL9440
-CN1c2ccccc2S(=O)(=O)n2c(COc3ccc(Cl)cc3)nnc21 MOL9441
-Cc1cc(OCc2nnc3n2S(=O)(=O)c2ccccc2N3C)ccc1Cl MOL9442
-CN1c2ccccc2S(=O)(=O)n2c(CCc3ccccc3)nnc21 MOL9443
-O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)c1c(O)c2ccccc2oc1=O MOL9444
-CN(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 MOL9445
-COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(OC)c1 MOL9446
-O=c1oc2ccccc2c(O)c1C(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O MOL9447
-COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1O MOL9448
-O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)OCO2)N1CCCC1 MOL9449
-COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCOCC2)cc1 MOL9450
-COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)c(OC)c1 MOL9451
-COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)cc1 MOL9452
-COc1ccc(C(c2c(O)c3ccccc3oc2=O)N2CCOCC2)c(OC)c1 MOL9453
-COc1cc(C(c2c(O)c3ccccc3oc2=O)N2CCCC2)cc(OC)c1OC MOL9454
-COc1cc(C2c3c(oc4ccccc4c3=O)Oc3oc4ccccc4c(=O)c32)cc(OC)c1O MOL9455
-COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 MOL9456
-CC(=O)O.CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1 MOL9457
-CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O MOL9458
-CC(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)O MOL9459
-CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C)C(N)=O MOL9460
-CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2 MOL9461
-S=c1sc(-c2ccc(Cl)cc2)nn1CSc1nc2ccccc2[nH]1 MOL9462
-S=c1sc(-c2ccc(Cl)cc2)nn1CSc1nc2ccccc2o1 MOL9463
-O=C(CSc1nnc(-c2ccc(Cl)cc2)s1)Nc1nccs1 MOL9464
-COc1ccc(-n2nc3c4ccccc4[nH]cc-3c2=O)cc1 MOL9465
-CCOC(=O)c1c(C(=O)OC)nc2n1-c1ccccc1OC2 MOL9466
-CCC1(OC(=O)CN2CCN(CCO)CC2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 MOL9467
-CCOP1(OCC)(SSC)OC(=O)C(C)S1 MOL9468
-CCOP(=S)(OCC)OC(=O)C(C)SSC.CCOP1(OCC)(SSC)OC(=O)C(C)S1 MOL9469
-O=C(NNC(=S)NC1OC(CO)C(O)C(O)C1O)c1cccc(C(=O)NNC(=S)NC2OC(CO)C(O)C(O)C2O)n1 MOL9470
-O=C(NNC(=S)NC1OC(CO)C(O)C(O)C1O)c1cccc(C(=O)NNC(=S)NC2OC(CO)C(O)C(O)C2O)n1 MOL9471
-CCOC(=O)C=C1CCC(C)n2c1nccc2=O MOL9472
-Clc1cccc2[nH]c(-c3ccncc3)nc12 MOL9473
-COc1cc(C(=O)n2c(=O)oc(=O)c3cc([N+](=O)[O-])ccc32)cc(OC)c1OC MOL9474
-CN1C(=O)C(=C2SC(=O)N(CNc3ccc(Br)cc3)C2=O)c2ccccc21 MOL9475
-Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O MOL9476
-CCC[N+]1=Cc2ccccc2OC(=O)C=C1O MOL9477
-O=C1NC2Cc3ccccc3C(C2)O1 MOL9478
-CSC1=Nc2cccnc2Nc2cscc21 MOL9479
-O=C1Nc2cccnc2NC2=C1CSC2 MOL9480
-O=C(O)C=CC(=O)O.OCCN1CCN(C2=Nc3cccnc3Nc3cscc32)CC1 MOL9481
-Cc1nc2ccccc2c(=O)n1-c1nc2ccccc2s1 MOL9482
-CN1CCC2c3c([nH]c4ccccc34)C(C)(C)OC2C1 MOL9483
-CNc1nc2cccc3nc(C)nc(n1)-n-3-2 MOL9484
-Cc1nc2cccc3nc(N)nc(n1)-n-2-3 MOL9485
-Cc1nc2cccc3nc(NCCCN(C)C)nc(n1)-n-2-3 MOL9486
-CSc1nc(C)c(C(=O)CCN2CCOCC2)s1 MOL9487
-CSc1nc(C)c(C(=O)CCN2CCN(c3ccccn3)CC2)s1 MOL9488
-O=C(CN1CCC(O)(c2ccccc2)CC1)N1CCN(C=Cc2ccccc2)CC1 MOL9489
-CN1CCC2CC1c1ccn(C)c1C2=O MOL9490
-Cc1ncc(CO)c(CO)c1OCC(O)CN1CCN(C(=O)c2ccccc2)CC1.O=C(O)C(=O)O MOL9491
-O=NNc1ccc(S(=O)(=O)c2ccc(NN=O)cc2)cc1 MOL9492
-CN1CCN(c2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 MOL9493
-CN1c2ccccc2C(=O)N2C(=O)CCC21C MOL9494
-O=S(=O)(O)c1ccc(OCCCCCCCCCCOc2ccc(S(=O)(=O)O)cc2)cc1 MOL9495
-CCCCCCCCOCCS(=O)(=O)O MOL9496
-CCCCCCCCCCCCCCOCCS(=O)(=O)O MOL9497
-O=S(=O)(O)c1ccc(OCCCCCCCCOc2ccc(S(=O)(=O)O)cc2)cc1 MOL9498
-O=P(OC1=CCCCC1)(c1ccccc1)c1ccccc1 MOL9499
-CCOc1c2c(nn(C)c1=O)Oc1ccccc1N2CCCN1CCOCC1 MOL9500
-Cn1nc2c(c(Cl)c1=O)Nc1ccccc1O2 MOL9501
-Cc1n[nH]c(=O)c2cc3oc4ccccc4c3n12 MOL9502
-C(=NCCSSCCN=Cc1ccccc1)c1ccccc1 MOL9503
-CC(=O)OCCNc1nnc(O)c2cnccc12 MOL9504
-O=c1c2ccc(Cl)cc2nc2nc(-c3ccccc3)c3cc(Cl)ccc3n12 MOL9505
-COc1ccc(Nc2c3sc4cc(OC)ccc4nc-3c3ccccc3c2=O)cc1 MOL9506
-NC(=O)C(N)C(F)c1ccccc1 MOL9507
-CC(=NNC(=S)N1CCN(c2ccccn2)CC1)c1ncccn1 MOL9508
-O=C(Nc1ccccc1)c1cc2ccccc2oc1=O MOL9509
-CCn1c2ccccc2c2c3ncc4cccn4c3ccc21 MOL9510
-C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9511
-C(=NNC1=NCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCN4)ccc3n2)cc1 MOL9512
-C[n+]1c(COc2ccc(C=NNc3ccnc(NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)n3)cc2)cn2ccccc21 MOL9513
-C[n+]1c(COc2ccc(C=NNC(=O)CCC(=O)NN=Cc3ccc(OCc4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9514
-C[n+]1c(-c2ccc(C=NNc3n[nH]c(=S)n3N=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21 MOL9515
-C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)n3)cc2)cn2ccccc21 MOL9516
-Cc1ccccc1N=C1SCC(=O)N1c1ccccc1C MOL9517
-CC1(C)CCCC2(C)C3=C(CCC12)C(=O)OC3 MOL9518
-O=C1C=C(CCC2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21 MOL9519
-CC(=O)N1CCCN(C)C1=N[N+](=O)[O-] MOL9520
-CCNC(=O)c1ccccc1S(C)=O MOL9521
-C=CC1(C)CC(=O)C2(O)C(C)(O1)C(OC(C)=O)C(O)C1C(C)(C)CCC(O)C12C MOL9522
-COc1cc(C(CC(C)=O)c2cc3c(cc2OC(C)=O)OCO3)cc(OC)c1OC.COc1cc(C(c2cc3c(cc2O)OCO3)C(C(C)=O)C(C)=O)cc(OC)c1OC.COc1cc(C2c3cc4c(cc3OC(C)(O)C2C(C)=O)OCO4)cc(OC)c1OC MOL9523
-CCCCOC1NC(=O)NC(=O)C1(F)C(=O)OCC MOL9524
-O=c1ccn(C2C=C(CO)C(O)C2O)c(=O)[nH]1 MOL9525
-CN(C)CCN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21 MOL9526
-CC(=O)OC1(C)CC(=O)OCC23CCC(C)=CC2OC2CC(OC(=O)C=CC=CC(C(C)O)OCC1O)C3(C)C21CO1 MOL9527
-COC(=O)c1noc2c1CSC1=C2CS(=O)(=O)c2ccccc21 MOL9528
-O=C1C(C2CCCCC2)=C2OCC3COC2(O3)c2ccccc21 MOL9529
-COC(=O)C(=O)C1CSC2=C(CS(=O)(=O)c3ccccc32)C1=O MOL9530
-C1CCN2CC3CC(CN4CCCCC34)C2C1.O=S(=O)(O)O MOL9531
-COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c2c2c1CCC(c1ccccc1)O2)c43 MOL9532
-CN(CCO)c1cnn(CCO)c(=O)c1Cl MOL9533
-COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc(OC(C)C)c(OC)c1)N(C)C2=O MOL9534
-COc1cc2c(cc1OC)C1C(=O)c3cc(OS(C)(=O)=O)c(OC)cc3C1N(C)C2=O MOL9535
-C#CCN1CCN(C(=S)NN=C(C)c2ccccn2)CC1 MOL9536
-CC(=NNC(=S)N(C)C)c1ncc[nH]1 MOL9537
-N=C1NC(c2ccccc2[N+](=O)[O-])P(=O)(Nc2ncccn2)S1 MOL9538
-CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 MOL9539
-CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1.O=C(O)C=CC(=O)O MOL9540
-[BH2-]1n2ccc[n+]2[BH2-]n2ccc[n+]21 MOL9541
-c1cnn([B-]2(n3cccn3)n3ccc[n+]3[B-](n3cccn3)(n3cccn3)n3ccc[n+]32)c1 MOL9542
-Brc1cn2[n+](c1)[BH2-]n1cc(Br)c[n+]1[BH2-]2 MOL9543
-C[B-]1(C)n2ccc[n+]2[B-](C)(C)n2ccc[n+]21 MOL9544
-C[B-]1(C)n2cc(Br)c[n+]2[B-](C)(C)n2cc(Br)c[n+]21 MOL9545
-CC1CCC2(NC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL9546
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1nccc2ccccc12 MOL9547
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc2ccccc2n1 MOL9548
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cccnc1 MOL9549
-Cc1ccc(S(=O)(=O)O)cc1.Cn1cccc1C=NNC(=N)NO MOL9550
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=CC1CC2C=CC1C2 MOL9551
-O=C1CN(c2ccccc2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1 MOL9552
-OCC1OC(n2cnc3c2N=CNCC3O)C(Cl)C1O MOL9553
-CCOC(=O)C12C3C(=O)N(CC)C(=O)C3ON1OC1C(=O)N(CC)C(=O)C12 MOL9554
-CNC(=O)SC1=Nc2cc(Cl)ccc2S(=O)(O)=N1 MOL9555
-CNC(=S)SC1=Nc2ccccc2S(=O)(O)=N1 MOL9556
-O=[N+]([O-])c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 MOL9557
-O=c1cc(O)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 MOL9558
-Cc1cc2c(oc(=O)c3cc(C)sc32)s1 MOL9559
-CCCCNC=C1C(=O)Nc2ccccc2NC1=O MOL9560
-O=C1Nc2ccccc2NC(=O)C1(O)O MOL9561
-CN1C(=O)C2N(N(C)C1=O)C1(Br)C(=O)NC(=O)C21Br MOL9562
-CCOC(=O)C=C1CCCn2c1ncc(C(=O)OCC)c2=O MOL9563
-C#CC1=CC(=O)C(OC)=CC1=O MOL9564
-COC1=CC(=O)C(C#CCOCc2ccccc2)=CC1=O MOL9565
-CSc1c(C#N)c(O)nc2c1CCc1ccccc1-2 MOL9566
-O=c1nc(N2CCCC2)oc2cc3ccccc3cc12 MOL9567
-CCC12OC(COc3ccccc3)CN1CCN2c1ccccc1 MOL9568
-O=c1c(-c2ccccc2)nc2c[nH]ccn1-2 MOL9569
-CC12C(=O)NC(c3ccncc3)(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C12 MOL9570
-COc1cc(C2c3cc4c(cc3CC3COC(=O)N32)OCO4)cc(OC)c1OC MOL9571
-N#Cc1c(N)nc2c(c(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1C#N MOL9572
-O=C1c2cccc3cccc(c23)C(=O)N1CCNCCN1C(=O)c2cccc3cccc(c23)C1=O MOL9573
-O=C1c2cccc3cccc(c23)C(=O)N1CCCN(CCO)CCO MOL9574
-C=C(C)C#CC1(O)C=C(OC)C(OC)=CC1=O MOL9575
-O=P(O)(O)CCCNO MOL9576
-COC(=O)Nc1cc(N2CC=CCC2)n[c-](N)[n+]1=O MOL9577
-COc1ccc(C2C3C(=O)OCCOC(=O)C3C2c2ccc(OC)c(OC)c2)cc1OC MOL9578
-O=C(Nc1cccc([N+](=O)[O-])c1)OCc1ccc2c(c1)OCO2 MOL9579
-c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)c3cc(C4CCCCC4)ccc3n2)cc1 MOL9580
-COc1ccc2nc(-c3ccccc3)cc(N=[N+]=[N-])c2c1 MOL9581
-Nc1nc(O)c2c(ncn2COC(CO)CO)n1 MOL9582
-O=[N+]([O-])c1ccccc1S(=O)NCc1c(Cl)cccc1Cl MOL9583
-Cc1nc2c(=N)[nH][nH]c(=O)n2n1 MOL9584
-O=C(O)c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 MOL9585
-O=S(=O)(O)CC(O)CN(CCO)CCO MOL9586
-CC(C)(CO)NCC(O)CS(=O)(=O)O MOL9587
-O=C1NN2CCN=C2c2ncccc21 MOL9588
-O=C1NN2CCN=C2c2cccnc21 MOL9589
-F[P-](F)(F)(F)(F)F.c1ccc(C[S+]2CCCC2)cc1 MOL9590
-CC1CC(C)S(=O)C(C)S1 MOL9591
-CC1CC(C)S(=O)CS1.CC1CC(C)S(=O)CS1 MOL9592
-CC1SC(C)SC(C(C)(C)O)S1 MOL9593
-CSC(=NN=Cc1ccc2ccccc2n1)SSC(=NN=Cc1ccc2ccccc2n1)SC MOL9594
-CCCNCC(O)COc1ccc2c3c(c(=O)oc2c1)CCC3 MOL9595
-COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C(N)Cc1ccccc1)C24 MOL9596
-CCc1nn(Cc2ccccc2)c2nc(C)c(CCc3ccccc3)c(Cl)c12 MOL9597
-Cc1cc(O)c2c(ccc3c(O)cc(C)nc32)n1 MOL9598
-O=C1C2C(C(=O)N1c1ccccc1)C1CCC2N1C(=O)c1ccccc1 MOL9599
-CN=S(=O)(c1ccccc1)C1(C)CC(C)=C(C)CS1=O MOL9600
-S=c1c2ccccc2c(=S)n(-c2ccccc2)n1-c1ccccc1 MOL9601
-CSC(=Cc1ccc(C(=O)c2ccc(C)cc2)n1C)S(C)=O MOL9602
-CS(=O)(=O)Nc1nc2ccccc2c(=O)o1 MOL9603
-COc1ccc(NC=C2C(=O)CCc3c2oc2cc(Cl)c(O)c(Cl)c32)cc1 MOL9604
-COc1cc(O)cc2c1C(=O)C(C)O2 MOL9605
-Cc1[nH]c(C)c2ccc(=O)ccc12 MOL9606
-CCN(CC)C1C2=C(CCCC2)OS(=O)(=O)C1c1ccccc1 MOL9607
-COCCN(CCOC)C1C2=C(CCCC2)OS(=O)(=O)C1c1ccccc1 MOL9608
-CN(C)CC(C)(C)C(=O)C=Cc1ccccc1 MOL9609
-CC1COS(=O)(=O)CS(=O)(=O)O1 MOL9610
-CCC1COS(=O)(=O)CS(=O)(=O)O1 MOL9611
-CC1OS(=O)(=O)CS(=O)(=O)OC1C MOL9612
-CN(C)CCSC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)N(C)C1.O=C(O)C=CC(=O)O MOL9613
-COc1ccc2nccc3cc(Cl)[nH]c1c32 MOL9614
-COc1ccc2c(c1)CCC1OC(c3cccnc3)OC21 MOL9615
-CC1C(c2ccccc2)OCN1CC=C(c1ccsc1)c1ccsc1 MOL9616
-COc1ccc(N=Cc2c(O)ccc3c2oc2cc(Cl)c(O)c(Cl)c23)cc1 MOL9617
-ClP1Nc2cncnc2N1 MOL9618
-CCC1S(=O)(=O)OCCOS1(=O)=O MOL9619
-CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)ccc(C)c3oc-2c(C)c(=O)c1N MOL9620
-CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)cc(O)c(C)c3oc-2c(C)c(=O)c1N MOL9621
-Cc1cc(C)c2c(c1)CC(C)(C)C(=O)OC2=O MOL9622
-CC1(C)COC1(c1ccccc1)c1cccnc1 MOL9623
-Nc1c(O)c(S(=O)(=O)O)c(O)c2c1C(=O)c1ccccc1C2=O MOL9624
-COc1ccc2[nH]c3c(c2c1)C(=O)c1ccncc1C3=O MOL9625
-COC(C(=O)CN(C)C)(c1ccccc1)c1ccccc1 MOL9626
-CC1(CO)CCCC1NCCNC1CCCC1(C)CO MOL9627
-CCOC(=O)C1(C)CCCC1N MOL9628
-N=C(N)c1ccc(N=Nc2ccc(N)cc2N)cc1 MOL9629
-COC(=O)c1cccc2cccc(C(=O)N(C)CCN(C)C)c12 MOL9630
-CN(CCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3cccc(c23)C1=O MOL9631
-COc1cc2c(cc1OC)C13CC(=O)N(C(C)=O)N1CCCN3C2=O MOL9632
-CC(=O)N1C(=O)CC23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13 MOL9633
-CCC(=O)N1C(=O)C(C)C23c4cc(OC)c(OC)cc4C(=O)N2CCCN13 MOL9634
-CCC(=O)N1C(=O)C(C)C23c4cccc([N+](=O)[O-])c4C(=O)N2CCCN13 MOL9635
-O=C1NN2CCN=C2c2cnccc21 MOL9636
-COc1c2occc2c(CN)c2ccc(=O)oc12 MOL9637
-CSC1=NC=C(C#N)C2=NC(c3cccs3)NN12 MOL9638
-Cc1cc(C(=O)CSC(=S)SC(C)(C)C)ccc1Cl MOL9639
-N=c1[nH]c2c(C(=O)c3cccs3)nnn2c2cccc(Cl)c12 MOL9640
-N=c1[nH]c2c(-c3ccc([N+](=O)[O-])cc3)nnn2c2cccc(Cl)c12 MOL9641
-Nc1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O MOL9642
-Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O MOL9643
-O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1cccs1 MOL9644
-Nc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 MOL9645
-COc1cc2ccc1-c1cc(ccc1O)CC1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)C(C2)N(C)CC3 MOL9646
-COc1cc2c(c(Cl)c1OC)CCN(C)CC2c1ccccc1 MOL9647
-CN1CCN(C(=O)c2cccc3cccc(C(=O)O)c23)CC1 MOL9648
-CC(=O)N1CC(O)(c2ccccc2)CSc2ccccc21 MOL9649
-CC(=O)OC1CSc2ccccc2N(C(C)=O)C1 MOL9650
-O=c1c2c(oc3cc(OCC4CO4)ccc13)CCC2 MOL9651
-COC1(C)OC23C(=O)N(C)C(=O)N(C)C2(O1)N(C(C)=O)C(=O)N3C MOL9652
-COc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)C(=O)CCC2 MOL9653
-CC1(Cn2ccc(=O)[nH]c2=O)CC(C2(C)OCCO2)C(=O)O1 MOL9654
-COc1ccn(CC(C)=O)c(=O)n1 MOL9655
-O=c1ssc2ncccc12 MOL9656
-O=C(NCCCCNCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 MOL9657
-CCC12OC(COc3ccccc3)CN1CCS2 MOL9658
-Cc1ncc(CO)c(CO)c1OCC(O)CN1CCN(c2ccc(F)cc2)CC1 MOL9659
-CCOC(=O)c1sc(C(=O)OCC)c2c1-c1cccc3cccc-2c13 MOL9660
-Cc1ccc2c(c1)sc(C)[n+]2CCO MOL9661
-Cc1sc2ccc3ccccc3c2[n+]1C MOL9662
-Cn1c([N+](=O)[O-])cnc1N1CCN(c2nncs2)C1=O MOL9663
-O=[N+]([O-])c1ccccc1NC1CCN(CCCC2(c3ccc(F)cc3)OCCO2)CC1 MOL9664
-O=C1c2ccccc2-c2nnsc21 MOL9665
-COC(=O)C1=C(N2CCCC2)C2c3ccccc3SC12C(=O)OC MOL9666
-C[n+]1c(COc2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9667
-C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)cc3)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9668
-C[n+]1c(-c2ccc(C=NNC(=O)c3cccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9669
-C[n+]1c(COc2ccc(C=NNC(=O)c3cccc(C(=O)NN=Cc4ccc(OCc5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9670
-C[n+]1c(-c2ccc(C=NNC(=O)c3cncc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)c3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9671
-C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21.Cc1ccc(S(=O)(=O)O)cc1 MOL9672
-CCOC(=O)CN1C(=O)SC(=C2C(=O)N(C)c3ccccc32)C1=O MOL9673
-CCOC(=O)CN1C(=O)SC(=C2C(=O)N(C)c3ccc(Br)cc32)C1=O MOL9674
-CN1C(=O)C(=C2SC(=O)N(Cc3nc4ccccc4[nH]3)C2=O)c2cc(Br)ccc21 MOL9675
-O=C1C(N=Nc2ccccc2)Sc2nc3ccccc3n21 MOL9676
-Cc1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1 MOL9677
-Cc1cccc(N=NC2Sc3nc4ccccc4n3C2=O)c1 MOL9678
-O=C1C(N=Nc2ccc(Cl)cc2)Sc2nc3ccccc3n21 MOL9679
-O=C1C(N=Nc2ccc(Br)cc2)Sc2nc3ccccc3n21 MOL9680
-O=C1C(N=Nc2ccc([N+](=O)[O-])cc2)Sc2nc3ccccc3n21 MOL9681
-O=C(O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1 MOL9682
-CCOC(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1 MOL9683
-NS(=O)(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1 MOL9684
-CCN(CC)CCOC(=O)c1ccc(N=NC2Sc3nc4ccccc4n3C2=O)cc1 MOL9685
-C=CCN1C(=O)CSC1=NNC(=O)Cc1nc2ccccc2[nH]1 MOL9686
-O=C(Cc1nc2ccccc2[nH]1)NN=C1SCC(=O)N1c1ccc(Cl)cc1 MOL9687
-O=C1Nc2ccccc2C1=c1sc2nc3ccccc3n2c1=O MOL9688
-CN1C(=O)C(=c2sc3nc4ccccc4n3c2=O)c2ccccc21 MOL9689
-CCOC(=O)CC1(C)c2nc(NC(C)=O)sc2Cc2sc(NC(C)=O)nc21 MOL9690
-C=C(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1 MOL9691
-O=C1Nc2ccc(Br)cc2C1=c1sc2nc3ccccc3n2c1=O MOL9692
-O=c1c(-c2ccc(O)cc2)coc2c(C3OC(CO)C(O)C(O)C3O)c(O)ccc12 MOL9693
-O=C1CC2COc3ccc(O)cc3C2=NN1c1ccccc1 MOL9694
-CC1=CC2OC(=O)C3(C)C2C(CC2(C)OC1=CC2=O)OC3(O)C(C)C MOL9695
-CCC(C)C1(O)OC2CC3(C)OC(=CC3=O)C(C)=CC3OC(=O)C1(C)C32 MOL9696
-CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CSC2 MOL9697
-CNC(=O)OCc1c(COC(=O)NC)c2n(c1C)CS(=O)(=O)C2 MOL9698
-O=C1C2=C(C=Cc3ccccc3)OCCC2=NN1c1ccccc1 MOL9699
-O=C1C(=NO)SC(=S)N1N1CCCCC1 MOL9700
-CCOC(=O)CCC(=O)Oc1ccc2c(c1OC(=O)CCC(=O)OCC)C(=O)c1ccccc1C2=O MOL9701
-Cc1cc(=O)n2c(n1)sc1ccc3ccccc3c12 MOL9702
-C1=CN2C(c3ccccc3)=NON(c3ncccn3)C2N=C1 MOL9703
-Clc1ccc(C2=NON(c3ncccn3)C3N=CC=CN23)cc1 MOL9704
-O=[N+]([O-])c1cccc(C2=NON(c3ncccn3)C3N=CC=CN23)c1 MOL9705
-CC1=CN2C(c3ccccc3)=NON(c3ccc(C)cn3)C2C=C1 MOL9706
-CC1=CN2C(c3ccc(Cl)cc3)=NON(c3ccc(C)cn3)C2C=C1 MOL9707
-CCOC(=O)c1c(C)c(C(C)=O)c2ccccn12 MOL9708
-O=C1CS(=O)(=O)CN1N1CS(=O)(=O)CC1=O MOL9709
-CC1N(N2C(=O)CS(=O)(=O)C2C)C(=O)CS1(=O)=O MOL9710
-CC(C)C1N(N2C(=O)CS(=O)(=O)C2C(C)C)C(=O)CS1(=O)=O MOL9711
-O=C1CSCN1N1CSCC1=O MOL9712
-CCCCCCCCCCCC1=C2ON=C2C(c2ccccn2)=C(O)C1=O MOL9713
-CN(Cc1nc2c(N)nc(N)nc2nc1O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 MOL9714
-CN(Cc1nc2c(N)nc(N)nc2nc1O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 MOL9715
-CC=C(C(=O)OC)C1CC2OC(=O)C1(C=O)C13CCNC21N(C)c1ccccc13 MOL9716
-CC=C1CN2CCC34c5ccccc5N(C)C35OCC4(C(=O)OC)C1CC25 MOL9717
-COc1cc(C=Cc2ccc(O)c(OC)c2)cc(OC)c1 MOL9718
-CC(=O)SSC12CC3CC(CC(C3)C1)C2 MOL9719
-COc1ccc(-c2cc(=O)cc(C(N)=O)o2)cc1 MOL9720
-CN(C)C=O.O=C(Nc1nnn[nH]1)c1nc(O)cc(-c2ccccc2)n1 MOL9721
-Cc1nn(-c2ccccc2)c(=O)n2c1nc1ccccc12 MOL9722
-O=C(O)c1cc2oc(-c3ccccc3)cc2[nH]1 MOL9723
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(NCCc4ccccn4)C3=O)N1CC1NC12 MOL9724
-C[N+]1=C(c2ccc[nH]2)CC(C(=O)O)CC1 MOL9725
-COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C2(O)CC(O)C(C)C(C(C)C)O2)OC1=O MOL9726
-C=C(CN(C)C)C(=O)c1ccc(C)cc1C MOL9727
-C=C(CN(C)C)C(=O)c1cc(C)ccc1C MOL9728
-C=C(CN(C)C)C(=O)c1ccccc1OC MOL9729
-C=C(CN(C)C)C(=O)c1ccc2c(c1)OCO2 MOL9730
-O=c1c(-c2ccc3c(c2)OCO3)coc2c3c(ccc12)OCO3 MOL9731
-COc1cc2c(cc1-c1coc3cc(OCC=C(C)C)ccc3c1=O)OCO2 MOL9732
-COc1ccc(-c2coc3c4c(ccc3c2=O)OCO4)cc1OC MOL9733
-COc1cc2c(cc1-c1coc3cc(O)ccc3c1=O)OCO2 MOL9734
-COc1ccc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2c1 MOL9735
-CN1C(=O)CC2(C)C1=CCc1scnc12 MOL9736
-COC1OC(C(C)Br)C2OC(C)(C)OC12 MOL9737
-O=C(NC1(C(=O)O)CC1c1ccccc1)c1ccccc1 MOL9738
-CCOC(=O)c1nnc(-c2ccccc2)nc1Cl MOL9739
-CCOC(=O)c1c2nc3ccccc3sc-2c(C(=O)OCC)c1C(=O)OCC MOL9740
-CN(C)C(=O)c1nc(CNC(=O)CN)n(-c2ccc(Cl)cc2C(=O)c2ccccc2)n1 MOL9741
-CCCC1C(CCC)C2(OC(=O)C3=C2CCC=C3)C12OC(=O)C1=C2CCC=C1 MOL9742
-Cc1nc2cncnc2n(CCN2CCOCC2)c1=O MOL9743
-CN1C(=O)N(C)C2CC(=O)c3ccc(C(F)(F)F)cc3N2C1=O MOL9744
-CC(=O)OCC1OC(n2ccc(-n3cncn3)nc2=O)CC1N=[N+]=[N-] MOL9745
-COC(=O)c1nc[nH]c1O MOL9746
-CN.COC(=O)c1ncn(C)c1O MOL9747
-COC(=O)c1ncn(C(C(=O)OC)C(=O)OC)c1O MOL9748
-CN.CNC(=O)C(C(=O)NC)n1cnc(C(=O)OC)c1O MOL9749
-COC(=O)c1ncn(C2CCCCC2)c1O.NC1CCCCC1 MOL9750
-COC(=O)c1ncn(Cc2ccccc2)c1N MOL9751
-COC(=O)c1ncn(C2CCCCC2)c1N MOL9752
-N#Cc1ncn(Cc2ccccc2)c1N MOL9753
-COC=Nc1cn2c(n1)CN=C2 MOL9754
-Cc1cc(=O)oc2cc(O)c([N+](=O)[O-])cc12 MOL9755
-O=C1c2ccccc2C(=O)C1(c1ccccn1)[N+](=O)[O-] MOL9756
-CC(CCC=CCO)C1CC(OS(=O)(=O)O)C2(O)C1(C)CCC1C3CCC(O)C(O)C3C(O)CC12O MOL9757
-N=c1ccn(C2OC(CO)C(O)C2Br)c(=O)[nH]1 MOL9758
-N=c1[nH]c(=O)n(C2OC(CO)C(O)C2Cl)cc1I MOL9759
-COc1ccc2c(c1)NC(=O)C(O)(Cc1ccccc1)C2=O MOL9760
-CCC1(O)C(=O)Nc2ccc(OC)cc2C1=O MOL9761
-Nc1nc(Cl)c(Cl)nc1C(=O)O MOL9762
-O=C(O)c1nc(Cl)c(Cl)nc1O MOL9763
-COC(=O)C(=O)C1CCCC(C2=Nc3n[nH]c(=N)n3C2=O)C1=O MOL9764
-N=c1[nH]nc2nc(CC(=O)c3cccc([N+](=O)[O-])c3)c(=CC(=O)c3cccc([N+](=O)[O-])c3)n12 MOL9765
-O=C(CC1=NC2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 MOL9766
-O=C(CC1=NC2NN(c3ccccc3)C(=O)C2=C1CC(=O)c1ccccc1)c1ccccc1 MOL9767
-CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(C)cc1 MOL9768
-O=C1OC2C(O)COC23OC(O)CCC13O MOL9769
-COC1(C)CCC2(O)C(=O)OC3C(O)COC32O1 MOL9770
-COC(=O)NC12CC3CC(C(C)O1)C2N(Cc1ccccc1)C3 MOL9771
-O=C1OCc2cnccc21 MOL9772
-O=C1OCc2c[n+]([O-])ccc21 MOL9773
-O=C1CC2c3c(OCc4ccccc4)cc(OCc4ccccc4)cc3OC2O1 MOL9774
-CCCCOC(=O)C1CSSCC(NC(C)=O)C(=O)N1 MOL9775
-CC1C(c2ccc3c(c2)OCO3)CC(Cl)CC12C=C1OCOC1=CC2=O MOL9776
-CN1C2C=CC(=O)C1C1C(=O)N(c3ccccc3)C(=O)C12 MOL9777
-CC(=O)N1CCC23c4ccccc4N(C)C2CC(=O)CC13 MOL9778
-COC(=O)c1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1CCCCCCCCCC2 MOL9779
-CCCC(C(=O)OC)C(=O)C(C)C1=Nc2n[nH]c(=N)n2C1=O MOL9780
-N=c1[nH][nH]c(=N)n1-n1c(=N)[nH][nH]c1=N MOL9781
-COc1ccc(C(=O)Cc2nc3n[nH]c(=N)n3nc2CC(=O)c2ccc(OC)cc2)cc1 MOL9782
-O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccc(Cl)cc1 MOL9783
-O=C(NC1C=Nc2ccccc2NC1=O)c1ccc(Cl)cc1 MOL9784
-O=C(NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1ccc(Cl)cc1 MOL9785
-Cc1cc2c(cc1C)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C=N2 MOL9786
-O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccc2ccccc2c1 MOL9787
-O=C(C=Cc1ccc(Cl)cc1)NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O MOL9788
-O=C(C=Cc1ccccc1)NC1C=Nc2ccccc2NC1=O MOL9789
-O=C(C=Cc1ccccc1)NC1C=Nc2ccc(Cl)cc2NC1=O MOL9790
-O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccccc1Cl MOL9791
-CCNc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O MOL9792
-CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O MOL9793
-O=C1NC(O)c2c(F)cccc2O1 MOL9794
-Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C1(C)CO1)O3 MOL9795
-Cc1cc2c(c(C#N)c1C)NC(=O)CN=C2c1ccccc1F MOL9796
-COc1ccc2c(c1)CC1c3c(cc4c(c3-2)OCO4)CCN1C MOL9797
-O=C1c2ccncc2C(=O)c2c1[nH]c1ccccc21 MOL9798
-c1ccc(-c2cnc3cccnc3n2)cc1 MOL9799
-N#Cc1c(N)[nH]c2ccc(Sc3ccccc3)cc12 MOL9800
-O=C1CC2C(CC3OC(=O)C4C3C23COC4(O)C(O)C3)c2occc21 MOL9801
-COc1cc(=O)cc2n(c1=O)CCC2 MOL9802
-Cc1cc2c(=O)c3ccccc3oc2c(C#N)c1C MOL9803
-Cn1c(=O)c2nsnc2n(C)c1=O MOL9804
-Cn1c(=O)c2nccnc2n(C)c1=O MOL9805
-Cn1c(=O)c2ncc(N)nc2n(C)c1=O MOL9806
-C[N+]1(C)CC2C3C=CC(C3)C2C1 MOL9807
-OCC1C(CO)C2CC1C1N=NN(c3ccccc3)C21 MOL9808
-O=S(=O)(c1ccccc1)N1CC2C3C=CC(C3)C2C1 MOL9809
-NCCCCCC(=O)O MOL9810
-O=C(O)CCCCCCCCCC(=O)O MOL9811
-O=C(O)CCCCCCCCCCC(=O)O MOL9812
-CC1OCC2OC(C)OC(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)C2O1 MOL9813
-O=C(CSS(=O)(=O)O)c1ccccc1 MOL9814
-O=C(O)C=CC(=O)Nc1ccccc1 MOL9815
-O=[N+]([O-])c1ccccc1S(=O)c1ccccc1[N+](=O)[O-] MOL9816
-O=S(=O)(c1ccc(O)cc1)c1ccc(I)cc1 MOL9817
-O=C(C=Cc1ccc(Cl)cc1Cl)c1cccs1 MOL9818
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cccs1 MOL9819
-O=C(O)c1ccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 MOL9820
-O=C(O)c1cccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 MOL9821
-Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 MOL9822
-CC(=NO)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL9823
-O=[N+]([O-])C1=C(c2ccccc2)SC([N+](=O)[O-])=C(c2ccccc2)S1 MOL9824
-O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccccc1 MOL9825
-O=C(C=Cc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 MOL9826
-O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc(S(=O)(=O)c2ccccc2)cc1 MOL9827
-CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Sc2ccc(C(C)=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 MOL9828
-CC(=CC(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1 MOL9829
-O=[N+]([O-])c1cc2ccc(O)cc2c2ccccc12 MOL9830
-COc1ccc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc12 MOL9831
-CC(=O)N1C(=N)SCC1C(N)=O MOL9832
-CCOC(=O)C1CSC(=N)N1C(C)=O MOL9833
-NC(CCSSCCC(N)C(=O)NCC(=O)O)C(=O)NCC(=O)O MOL9834
-COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nccnc2c1 MOL9835
-ON=C1CCC(c2ccccc2)CC1 MOL9836
-O=C1CCC(c2ccccc2)CCN1 MOL9837
-c1ccc(C2CCCNCC2)cc1 MOL9838
-CN1CCCC(C(=O)O)(c2ccccc2)CC1 MOL9839
-CCOC(=O)C1(c2ccccc2)CCNC(=O)CC1 MOL9840
-CCN1CCCC(C#N)(c2ccccc2)CC1 MOL9841
-CCC(=O)C1(c2ccccc2)CCN(C)CC1 MOL9842
-C[N+]1(C)CCCC(C#N)(c2ccccc2)CC1 MOL9843
-O=C1c2ccccc2C(=O)C2(C(c3ccccc3)c3ccccc3)N=NCC12 MOL9844
-Oc1ncc(SSc2cnc(O)nc2O)c(O)n1 MOL9845
-NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O MOL9846
-NC(CSCCSCCSCC(N)C(=O)O)C(=O)O MOL9847
-CN(CCSCC(N)C(=O)O)CCSCC(N)C(=O)O MOL9848
-COc1ccccc1C1(c2ccccc2OC)OC(=O)c2ccccc21 MOL9849
-CC1(CN2CCCCC2)COC(c2ccccc2)(c2ccccc2)OC1 MOL9850
-CN(C)C(=O)C(NCCO)c1ccccc1 MOL9851
-CCN1CCOC(c2ccccc2)C1c1ccccc1 MOL9852
-O=C1C=Cc2ncccc2C1=O MOL9853
-COc1c2occc2c(N)c2ccc(=O)oc12 MOL9854
-NC(=O)C(CSSCC(NC(=O)OCc1ccccc1)C(N)=O)NC(=O)OCc1ccccc1 MOL9855
-Cc1ccc(S(=O)(=O)C2CC3CC2C2COCC32)cc1 MOL9856
-O=C1c2ccoc2C(=O)c2oc(=O)ccc21 MOL9857
-O=c1ccc2cc3ccoc3c(O)c2o1 MOL9858
-COc1c2occc2c(Cl)c2ccc(=O)oc12 MOL9859
-COc1c2occc2c(S(=O)(=O)O)c2ccc(=O)oc12 MOL9860
-COc1c2c(c(Cl)c3ccc(=O)oc13)CCO2 MOL9861
-COc1c2c(cc3ccc(=O)oc13)CCO2 MOL9862
-COc1c2c(c(N)c3ccc(=O)oc13)CCO2 MOL9863
-Cc1c(C)c2cc3c(cc2oc1=O)OCC3 MOL9864
-CC1(Nc2ccccc2)OC(=O)c2ccccc21 MOL9865
-Cc1c(C)c2cc3ccoc3cc2oc1=O MOL9866
-O=C(O)C1CC(O)CN1S(=O)(=O)Cc1ccccc1 MOL9867
-C[N+]1(C)CCC(C#N)(c2ccccc2)CC1 MOL9868
-C[N+]12CCC(c3ccccc3)(CC1)C(O)C2 MOL9869
-CN1CCCCC(C#N)(c2ccccc2)CC1 MOL9870
-CN1CCC(c2ccccc2)(c2ccccc2)C(O)C1 MOL9871
-COc1cc(O)c(C(C)=O)c(O)c1 MOL9872
-O=C(O)C(=C=Cc1cccc2ccccc12)C(=O)O MOL9873
-Oc1ccc(C2CC(O)c3ccccc3O2)cc1 MOL9874
-Cc1cc2c(cc1C)C1=C(CCC2)C(=O)C(=O)O1 MOL9875
-COc1ccc2c(=O)c(O)c(-c3ccccc3)oc2c1 MOL9876
-CC(N)S(=O)(=O)O MOL9877
-NCCC(=O)NCS(=O)(=O)O MOL9878
-CCCC(N)S(=O)(=O)O MOL9879
-O=C(O)c1cc(O)c2cccc(O)c2n1 MOL9880
-O=C1c2ccccc2C(c2ccccc2)C1c1ccccc1 MOL9881
-c1ccc(C2=NOCC3(c4ccccc4)OC23)cc1 MOL9882
-CN(C)c1ccc([N+]([O-])=Cc2cc(=O)c(OS(C)(=O)=O)co2)cc1 MOL9883
-S=C(SSC(=S)N1CCOCC1)N1CCOCC1 MOL9884
-CCOC(=S)SSC(=S)OCC MOL9885
-CCOC(=S)SSSC(=S)OCC MOL9886
-CC(C)OC(=S)SSC(=S)OC(C)C MOL9887
-CC(C)OC(=S)SSSC(=S)OC(C)C MOL9888
-CCCCCOC(=S)SSSC(=S)OCCCCC MOL9889
-CCCCCCCCCCCCCCCc1cc(O)ccc1N=O MOL9890
-O=Nc1ccccc1C(=O)O MOL9891
-O=C1OC(=Nc2ccccc2Cl)c2ccccc21 MOL9892
-O=C1C=CC(c2ccccc2)(c2ccccc2)O1 MOL9893
-CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CO)OC(CO)C(O)C1O.O=S(=O)(O)O MOL9894
-CC(=NO)C1CC(C)([N+](=O)[O-])CCC1(C)O MOL9895
-COC1C=CC23c4cc5c(cc4CN(CC2O)C3C1)OCO5 MOL9896
-O=C(Nc1ccccc1-c1ccccc1)c1ccccc1 MOL9897
-CC1=CC(C)(C)SC(SSSC2=NC(C)=CC(C)(C)S2)=N1 MOL9898
-CC1=CC(C)(C)SC(SSSSC2=NC(C)=CC(C)(C)S2)=N1 MOL9899
-O=C(O)c1cc2ccccc2c(=O)s1 MOL9900
-COC(=O)c1cc2ccccc2c(=O)s1 MOL9901
-Cc1cc(C)c(SSc2c(C)cc(C)cc2C)c(C)c1 MOL9902
-C1N2CN3CN1CN(C2)C3 MOL9903
-Oc1ccc(O)c2c1N=NC21c2ccccc2Oc2ccccc21 MOL9904
-CC(C)OC=C1CCc2ccccc2C1=O MOL9905
-N#CNC(=N)Nc1cc2ccccc2c2ccccc12 MOL9906
-CSC(C)CS(=O)(=O)O MOL9907
-C=CCC(CC(CC=C)C(=O)O)C(=O)O MOL9908
-COC(=O)CSSCc1ccc([N+](=O)[O-])cc1 MOL9909
-O=C(O)CC(SSCc1ccccc1)C(=O)O MOL9910
-O=c1ssc(=Nc2ccccc2)n1-c1ccccc1 MOL9911
-S=C(NN1CCOCC1)SSC(=S)NN1CCOCC1 MOL9912
-C=C(C)C1CCC(C)CC1OC(C)=O MOL9913
-Cc1ccc(S(=O)(=O)OC2C(C)OCOC3COCOC32)cc1 MOL9914
-O=c1sccc2ccccc12 MOL9915
-C[N+]1(Cc2ccco2)CCCCC1 MOL9916
-C[N+](C)(Cc1ccco1)c1ccccc1 MOL9917
-Cc1ccc(C[N+](C)(C)c2ccccc2)o1 MOL9918
-CCCCCCCCCCCCCCCC(=O)OCC(O)CO MOL9919
-COc1cccc(C(CC(=O)O)=NCCc2c[nH]c3ccccc23)c1C(=O)O MOL9920
-O=Nc1ccccc1N=O MOL9921
-c1ccc(-c2nnc(-c3ccccc3)c3nonc23)cc1 MOL9922
-O=[N+]([O-])c1cccc2nsnc12 MOL9923
-COc1ccc(C(C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 MOL9924
-O=Nc1ccc(Br)cc1 MOL9925
-COC(=O)C(=O)C(C#N)c1cccc(O)c1C(=O)OC MOL9926
-C[N+]12CC3C4CC(C3C1)C2C4 MOL9927
-N=C(N)SCc1ccccc1.O=C(O)C1CC2C3C=CC(C3)C2C1 MOL9928
-C[N+]1(C)CC2C3C=C(I)C(C3)C2C1 MOL9929
-CN(C)CC1C2C=CC(C2)C1COCC1C2C=CC(C2)C1CN(C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 MOL9930
-N#CC(=Cc1ccccc1)c1ccccc1F MOL9931
-N#CC(=Cc1ccccc1)c1cccc(F)c1 MOL9932
-N#CC(=Cc1ccccc1)c1ccc(F)cc1 MOL9933
-CN(C)c1ccc(C=C(C#N)c2cccc(F)c2)cc1 MOL9934
-CN(C)c1ccc(C=C(C#N)c2ccc(F)cc2)cc1 MOL9935
-N#CC(=Cc1ccccc1)c1ccc(F)cc1F MOL9936
-CN(C)c1ccc(C=C(C#N)c2ccc(F)cc2F)cc1 MOL9937
-CN(C)c1ccc(C=C(C#N)c2ccccc2Cl)cc1 MOL9938
-CN(C)c1ccc(C=C(C#N)c2cccc(Cl)c2)cc1 MOL9939
-CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2)cc1 MOL9940
-CN(C)c1ccc(C=C(C#N)c2ccc(Cl)cc2Cl)cc1 MOL9941
-CN(C)c1ccc(C=C(C#N)c2c(Cl)cccc2Cl)cc1 MOL9942
-CN(C)c1ccc(C=C(C#N)c2ccc(Cl)c(Cl)c2)cc1 MOL9943
-N#CC(=Cc1ccccc1)c1cccc(Br)c1 MOL9944
-CN(C)c1ccc(C=C(C#N)c2ccccc2Br)cc1 MOL9945
-CN(C)c1ccc(C=C(C#N)c2cccc(Br)c2)cc1 MOL9946
-CN(C)c1ccc(C=C(C#N)c2ccc(Br)cc2)cc1 MOL9947
-CN(C)c1ccc(C=C(C#N)c2ccc(Br)cc2Br)cc1 MOL9948
-CN(C)c1ccc(C=C(C#N)c2c(Br)cccc2Br)cc1 MOL9949
-N#CC(=Cc1ccccc1)c1cccc(I)c1 MOL9950
-CN(C)c1ccc(C=C(C#N)c2cccc(I)c2)cc1 MOL9951
-Cc1ccc(C(C#N)=Cc2ccc(N(C)C)cc2)cc1 MOL9952
-Cc1cc(C)cc(C(C#N)=Cc2ccc(N(C)C)cc2)c1 MOL9953
-Cc1ccc([N+](=O)[O-])cc1C(C#N)=Cc1ccccc1 MOL9954
-Cc1cc(C(C#N)=Cc2ccc(N(C)C)cc2)cc(C)c1[N+](=O)[O-] MOL9955
-Cc1ccc(C(C#N)=Cc2ccccc2)cc1 MOL9956
-O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl MOL9957
-O=C1CSC2=NCCN12 MOL9958
-Cc1[se]c(=N)[nH]c1-c1ccccc1 MOL9959
-Brc1ccc(C2=CSC3=NCCN23)cc1 MOL9960
-Br.Clc1ccc(C2=CSC3=NCCN23)cc1 MOL9961
-c1ccc(-c2csc3[n+]2CCN3)cc1 MOL9962
-O=C1NC(=O)c2ncccc21 MOL9963
-COc1cc(NCCNC(=N)NC#N)c2ncccc2c1 MOL9964
-Cl[Sn](Cl)(c1ccccc1)c1ccccc1 MOL9965
-COc1cc2ccc(=O)oc2cc1O MOL9966
-CCCCCCCCCCCC(O)S(=O)(=O)O MOL9967
-O=C(O)c1ccccc1SSc1ccccc1C(=O)O MOL9968
-O=C1NC(CSSCC2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1 MOL9969
-Cc1ccc2c(c1)C(O)(c1ccccc1)C(c1ccccc1)C(c1ccccc1)O2 MOL9970
-O=S(=O)(OC1CC12CCCCC2c1ccccc1)c1ccccc1 MOL9971
-N#CC(=Cc1ccccc1Cl)c1ccccc1 MOL9972
-Brc1ccc2noc(-c3ccccc3)c2c1 MOL9973
-Clc1ccc2noc(-c3ccccc3)c2c1 MOL9974
-COc1ccc(-c2onc3ccc(Cl)cc23)cc1 MOL9975
-C=CC1CN2CCC1CC2=NO MOL9976
-CCOC(=O)C(Cc1cc[n+]([O-])cc1)=NO MOL9977
-OCC1OC(n2cnc3c(S)ncnc32)C(O)C1O MOL9978
-OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5 MOL9979
-C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CC)C5)C3C2)C1O MOL9980
-C=C1C2CCC3(CCC4C5(C)CCCC4(CN(C(C)=O)C5)C3C2)C1O MOL9981
-CC1C2CCC3(CCC4C5(C)CCCC4(CN(CCO)C5)C3C2)C1O MOL9982
-C=C1C2CCC3(CCC4C5(C)CCCC4(C=NC5)C3C2)C1O MOL9983
-CCN(CC)C(=O)c1ccc(O)c(OC)c1 MOL9984
-Nn1ccc(=O)c2c1-c1ccccc1C(c1ccccc1)c1ccccc1-2 MOL9985
-Oc1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21 MOL9986
-CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1 MOL9987
-Clc1ccc(-c2onc3ccc(Br)cc23)cc1 MOL9988
-COc1ccc(-c2onc3ccc(Br)cc23)cc1 MOL9989
-CC(C)C12C=C3CCC4C(C)(C(=O)O)CCCC4(C)C3(CC1)OO2 MOL9990
-O=C(c1ccc(Cl)cc1)c1ccc(N=[N+]([O-])c2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 MOL9991
-O=C(OC1CCCC1)C1(O)CCCCC1 MOL9992
-CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)C MOL9993
-O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 MOL9994
-CC1CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C MOL9995
-CC(=O)OC1CC2C(C)(CCC3C2(C)CCC2(C)C4CC(C)(C)CCC4(C)CCC32C)C1C MOL9996
-O=C(NN=Cc1cccc(C=NNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)n1)Nc1ccc(N=Nc2ccccc2)cc1 MOL9997
-O=C1OC(C=Cc2ccccc2)Sc2ccccc21 MOL9998
-O=C1OC(c2cccs2)Sc2ccccc21 MOL9999
-O=C1OC(c2ccc3c(c2)OCO3)Sc2ccccc21 MOL10000
-Oc1nc2ccccc2c(O)c1O MOL10001
-O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 MOL10002
-O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O MOL10003
-O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O MOL10004
-Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O MOL10005
-CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O MOL10006
-O=c1cc(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12 MOL10007
-COc1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)C(=O)CC(c1ccc(O)cc1)O2 MOL10008
-COc1cc(-c2[o+]c3cc(O)cc(OC4OC(CO)C(O)C(O)C4O)c3cc2OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O MOL10009
-Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 MOL10010
-CNc1ccc(C=Cc2ccnc3ccccc23)cc1 MOL10011
-COc1cc(C=Cc2ccnc3ccccc23)ccc1N(C)C MOL10012
-CN(C)c1ccc(C=Cc2ccnc3ccc4ccccc4c23)cc1 MOL10013
-CN(C)c1ccc(C=Cc2ccnc3c2ccc2ccccc23)cc1 MOL10014
-CCCCCN(CCCCC)c1ccc(C=Cc2ccnc3ccccc23)cc1 MOL10015
-COc1cc(N(C)C)ccc1C=Cc1ccnc2ccccc12 MOL10016
-CN(C)c1ccc(N=Nc2ccc(C=Cc3ccnc4ccccc34)cc2)cc1 MOL10017
-CCCCn1cnc2c(SSc3ncnc4c3ncn4CCCC)ncnc21 MOL10018
-C(#CCN1CCCCCC1)CN1CCCCCC1 MOL10019
-O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 MOL10020
-O=C(c1cccc(=O)c(O)c1)C1OC1c1ccccc1 MOL10021
-CCCCC#CCC(C(=O)O)C(=O)O MOL10022
-COc1ccc2c(c1)C1=C(CC2)C(=O)OC1=O MOL10023
-NC(=O)NN=C1CC2CCCCC2c2ccccc21 MOL10024
-CCCC#CCC(CC#CCCC)(C(=O)O)C(=O)O MOL10025
-CCOC1(c2ccccc2)OC(=O)c2ccccc21 MOL10026
-COC1(c2ccccc2C)OC(=O)c2c(C)cccc21 MOL10027
-O=C1CC2c3ccccc3CCC2c2ccccc21 MOL10028
-CC1(c2ccc(Cl)cc2)OC(=O)c2c1ccc1ccccc21 MOL10029
-Cc1cccc2c1C(=O)OC2(C)c1cccc2ccccc12 MOL10030
-CC1CCC(C(C)C)C(OC2(c3ccccc3)OC(=O)c3ccccc32)C1 MOL10031
-Cc1cc(C)c(C)c(C(=O)OCC(C)(C)C)c1C MOL10032
-COC1(c2cccs2)OC(=O)c2c([N+](=O)[O-])cccc21 MOL10033
-Cc1cc(=O)oc2cc(N(C)C)ccc12 MOL10034
-CCN(CC)c1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] MOL10035
-CCCCNc1cc2oc(=O)cc(C)c2cc1N MOL10036
-CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL10037
-CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccccc1 MOL10038
-CCN(CC)c1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc(N)cc(N)c1 MOL10039
-CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O MOL10040
-COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 MOL10041
-Cc1ccccc1N1C(=O)C(=O)c2cccc(C)c21 MOL10042
-Cc1ccc(C)c(N2C(=O)C(=O)c3c(C)ccc(C)c32)c1 MOL10043
-COC(=O)N1C2c3ccccc3C(c3ccccc32)N1C(=O)OC MOL10044
-O=C(OCCSSCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 MOL10045
-CC1(c2ccccc2)CCCCC1=NNC(N)=O MOL10046
-COC1OC(=O)c2ccccc21 MOL10047
-COC1(c2ccc(C)cc2C)OC(=O)c2c(C)cccc21 MOL10048
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(O)c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3cccc(O)c3)c2c1O MOL10049
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c1O MOL10050
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc4ccccc4c3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc4ccccc4c3)c2c1O MOL10051
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(-c4ccccc4)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(-c4ccccc4)cc3)c2c1O MOL10052
-COc1ccc(Cc2cnc(N)nc2N)cc1OC MOL10053
-C(=Nc1ccc(SSc2ccc(N=C=C(c3ccccc3)c3ccccc3)cc2)cc1)=C(c1ccccc1)c1ccccc1 MOL10054
-N#Cc1c(N)sc(N)c1C#N MOL10055
-O=C1NCC(c2ccccc2)(c2ccccc2)O1 MOL10056
-O=c1c2cccc3c4ccccc4c4sc5ccccc5n1-c4c23 MOL10057
-CN(C)c1ccc(C=c2[nH]c(=O)c(=Cc3ccc(N(C)C)cc3)[nH]c2=O)cc1 MOL10058
-C(=Nc1cnc2ccccc2c1)c1ccnc2ccccc12 MOL10059
-O=NN(CCCl)C(=O)NCCCl MOL10060
-Cc1nc(N)c(N=O)c(O)n1 MOL10061
-S=C1NC2(CCCCC2)NC12CCCCC2 MOL10062
-O=C1OC(=O)C2C3CCCCC3=C3CCCCC3C12 MOL10063
-O=c1oc2ccccc2c(O)c1[N+](=O)[O-] MOL10064
-COC(=O)C1=C(C(=O)OC)C(C(=O)OC)N2C=CC=CC2=C1C(=O)OC MOL10065
-CCOC(=O)C(N)CSSCC(N)C(=O)OCC MOL10066
-Nc1nc(SSc2nc(N)nc3c2ncn3C2OC(CO)C(O)C2O)c2ncn(C3OC(CO)C(O)C3O)c2n1 MOL10067
-CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C MOL10068
-COc1cccc(N)c1N MOL10069
-CC(=O)N1CCCCCC1=O MOL10070
-c1ccc2[nH]c(-c3cscn3)nc2c1 MOL10071
-C=C=C(CCCC)C(=O)O MOL10072
-OCCN1c2ccccc2Sc2ccccc21 MOL10073
-CCC(C)C1NC(=O)C(C(C)=O)=C1O MOL10074
-OCc1cccnc1 MOL10075
-CSC1SCC2C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C MOL10076
-O=S1(=O)OCCCO1 MOL10077
-O=S1(=O)OCCCCO1 MOL10078
-C=C1C(=O)C23CC1CCC2C12COC(O)C1C(C)(C)C(O)CC2OC3=O MOL10079
-CC1C=CC=CC=CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O MOL10080
-S=C(SSC(=S)N1CCCCC1)N1CCCCC1 MOL10081
-CC1=C(C)CS(=O)N(c2ccccc2)C1 MOL10082
-O=C1OC(CN2CCOCC2)CN1N=Cc1ccc([N+](=O)[O-])o1 MOL10083
-CCC12CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)CC(C3)C1O2.O=S(=O)(O)O MOL10084
-NCCSS(=O)(=O)CCN MOL10085
-O=S1(=O)CC2(N3CCOCC3)CCCCC21 MOL10086
-CN(C)CCN1CCC(Cc2ccccc2)CC1 MOL10087
-CNCC(=O)NC(CO)C(=O)NC1C(C(N)=O)OC(n2ccc(=N)[nH]c2=O)C(O)C1O MOL10088
-CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O MOL10089
-COC(=O)C1=C(C(=O)OC)C2C(C)=CC(C)=CN2C(C(=O)OC)=C1C(=O)OC MOL10090
-CCN(CC)CCSSCCN(CC)CC MOL10091
-COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2 MOL10092
-OC1c2cccn2-c2cc(Cl)ccc2SC1c1ccccc1 MOL10093
-CC(C)C(O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(O)(C(C)C)C(C)O)C(=O)C2C31)C(C)O MOL10094
-O=NNc1ccc(Sc2ccc(NN=O)cn2)nc1.[NaH] MOL10095
-CN1c2ccccc2SC2C(c3ccccc3)=NOC21 MOL10096
-CN1c2ccccc2Sc2c(-c3ccccc3)n[nH]c21 MOL10097
-OCC(O)C(Cl)CCl MOL10098
-CSC(=S)NN=C(C)c1cccc(C)n1 MOL10099
-COC(=O)C=C1SC(OC)(N(C)c2ccccc2)N(C)C1=O MOL10100
-COCCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C MOL10101
-CC(C)C(O)(C(=O)OCC1CCN2CCC(O)C12)C(C)O MOL10102
-COC(=O)c1c(O)c2c(c3c1OC(C)(C)CC3)OC(C)(C)CC2 MOL10103
-O=NNc1ccc(-c2ccccc2)cn1.[NaH] MOL10104
-O=C1C2C3C=CC(C2C(=O)N1COP(=O)(O)O)C1C2C(=O)N(COP(=O)(O)O)C(=O)C2C31.[NaH] MOL10105
-CCn1c(=N)sc2nc3ccccc3n2c1=O MOL10106
-NC(=O)c1ccc(NN=O)nc1.[NaH] MOL10107
-c1cnc2c(c1)Nc1cnncc1S2 MOL10108
-FC(F)(F)c1cccc(COCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 MOL10109
-CC(C)c1ccc2nc3ccc(C(=O)NCCN(C)C)cn3c(=O)c2c1 MOL10110
-Cc1cccc(C(C)O)n1 MOL10111
-CC(=O)OCC1(C)ON=C2CCCCC21 MOL10112
-COc1ccc(C2=C(C#N)C(=O)OCCN2C)cc1 MOL10113
-COC(=O)Nc1nc2cc(C(=O)c3ccc[nH]3)ccc2[nH]1 MOL10114
-Cn1c(=S)sc2nc3ccccc3n2c1=S MOL10115
-Cc1coc2c1C1OC(=O)C3(CC=CC(C)C2)OC13 MOL10116
-COc1ccc2c(c1)[nH]c1c(C)c3ccncc3c(C)c12 MOL10117
-CC1C(C)N1CC(O)Cn1ccnc1[N+](=O)[O-] MOL10118
-CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5)CC4)cn3c(=O)c2c1 MOL10119
-CC1(C)CCc2c(cc3c(c2O)CCC(C)(C)O3)O1 MOL10120
-O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)nc1 MOL10121
-O=NNc1ccc(Sc2ccc3ccccc3c2)cn1.[NaH] MOL10122
-O=NNc1ccc(S(=O)(=O)c2ccccc2)cn1.[NaH] MOL10123
-O=C(O)Cc1ccc(N2N=C(c3ccccc3)CC2=O)cc1 MOL10124
-CC1(C2=CCCCC2)CCC(=O)NC1=O MOL10125
-Cc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2 MOL10126
-CC(CO)N(O)N=O.[NaH] MOL10127
-COc1ccccc1C1OC(c2ccccc2OC)C2CCN(C)C2(C)O1 MOL10128
-Cc1ccc2c3c(c(=O)oc2c1)C(C)CC(C)(CO)O3 MOL10129
-CCOC(=O)C(Cl)=C(C)Nc1nc2c(ccc3ccccc32)s1 MOL10130
-CC(=Nc1ccc(N(C)C)cc1)c1ccccc1 MOL10131
-CC(C)C1=CC2C3C(=O)NC(=O)C3C1C1C3C(=O)NC(=O)C3C21 MOL10132
-Cl.NCCNCCN1C(=O)c2cccc3cccc(c23)C1=O MOL10133
-O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCNCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O MOL10134
-CN(CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL10135
-CN(CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O.Cl MOL10136
-O=[N+]([O-])c1ccc(C2=Nc3ccccc3N=C(c3ccccc3O)C2)cc1 MOL10137
-COc1ccccc1C1=Nc2ccccc2N=C(c2ccccc2O)C1 MOL10138
-CSCC(NP1(=O)SC(NN=C(C)C)=NC1(C)C)C(=O)O MOL10139
-CC(C)=NNC1=NC(C)(C)P(=O)(N2CCCC2C(=O)O)S1 MOL10140
-CC(C)C1CN1CC(O)Cn1ccnc1[N+](=O)[O-] MOL10141
-CCN(CC)CCOc1ccccc1C=Cc1noc2ccccc12.Cl MOL10142
-O=C1Sc2ccccc2Cn2cccc21 MOL10143
-CCOC(=O)c1c(C)c(N=O)c2ccccn12 MOL10144
-Cc1cc2ccc([N+](=O)[O-])cn2c1 MOL10145
-Cc1cc(C#N)c[n+](C)c1.[I-] MOL10146
-O=C(O)CSc1cc2c3ccccc3sc2c2ccccc12 MOL10147
-Br.CCN(CC)C(C)(C)C(=O)C=Cc1ccc(C)cc1 MOL10148
-O=NNc1ccccn1.OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.[NaH] MOL10149
-COC(=O)NC1(NC(=O)OC)NC(=O)c2ccccc2N1 MOL10150
-COC(=O)Nc1nc(O)c2ccccc2n1 MOL10151
-CC1C(C)N1CC(O)Cn1ccnc1[N+](=O)[O-] MOL10152
-O=C(Nc1ccc(Br)c2ccccc12)c1ccc2ccccc2c1O MOL10153
-CCCCS(=O)(=O)CCC(N)C(=O)O MOL10154
-CCCCS(=O)CCC(N)C(=O)O MOL10155
-Oc1ncnc2cccc(Cl)c12 MOL10156
-NNc1ncnc2cccc(Cl)c12 MOL10157
-O=S(=O)(O)c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)O)o2)o1.[NaH] MOL10158
-COC(=O)c1cc([O-])c2sc(C)c(C)[n+]2n1 MOL10159
-COC(=O)c1cc(O)c2scc(C)[n+]2n1.[Cl-] MOL10160
-CCCCCCCCCCCCC1C(=O)NCCNCCCNCCNC1=O MOL10161
-O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)cn1 MOL10162
-COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC.[NaH] MOL10163
-CC=CC=Cc1cc2cc3c(c(O)c2c(O)n1)C1(CC3)C(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C(OC)=CC3=O.[KH] MOL10164
-COc1cc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)cc(OC)c1OC MOL10165
-COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccccc54)C3CC12 MOL10166
-CCN(CC)C(=O)c1cccc2c1OCO2 MOL10167
-O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-] MOL10168
-CC1(C)CC(=O)C(=[N+]=[N-])C(=O)C1 MOL10169
-COC(=O)NC1=Nc2ccccc2C(=O)NN1 MOL10170
-COC(=O)Nc1nc(O)c2cc(OC)c(OC)cc2n1 MOL10171
-COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1 MOL10172
-COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)cc2N1 MOL10173
-CC1C(N2CCCC2)=CC(=O)OC1c1ccccc1 MOL10174
-O=c1nc2n(cc1F)C1OC(CCl)C(O)C1O2 MOL10175
-Cc1cn2c(nc1=O)OC1C(O)C(CCl)OC12 MOL10176
-Br.NCCOc1c2occc2cc2ccc(=O)oc12 MOL10177
-O=C(O)COc1c2occc2cc2ccc(=O)oc12 MOL10178
-CCOC(COc1c2occc2cc2ccc(=O)oc12)OCC MOL10179
-O=c1ccc2cc3ccoc3c(OCCCCCCCCCCCCOc3c4occc4cc4ccc(=O)oc34)c2o1 MOL10180
-O=c1ccc2cc3ccoc3c(OCCOCCOCCOCCOc3c4occc4cc4ccc(=O)oc34)c2o1 MOL10181
-Br.CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(C=CC(=O)C(C)(C)CN(CC)CC)cc1 MOL10182
-Cc1ccc(S(=O)(=O)O)cc1.NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL10183
-NC1CCCCC1.O=C(CP(=O)(O)O)NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL10184
-Nc1ccc2c(c1)Oc1ccc(N)cc1O2 MOL10185
-CN1Cc2ccccc2C2C(c3ccccc3)=NN(c3ccccc3)C21 MOL10186
-CCC1c2ccccc2C2C(c3ccccc3)=NN(c3ccccc3)C2N1CC MOL10187
-COc1ccc2c(c1)C=CC1OC(C(C)=O)(C(C)=O)C(C=O)=CN21 MOL10188
-O=C1CSC(=NN=Cc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)N1c1ccccc1 MOL10189
-COc1nc2[nH]c(C)cc(=O)c2c2ccccc12 MOL10190
-COc1ccc(NC(=O)Oc2cc(C)c3ccc(=O)cc-3o2)c(OC)c1.COc1ccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 MOL10191
-O=C1c2ccccc2C(=O)N1CCc1ncc[nH]1 MOL10192
-COc1cccc(C2c3cc4c(cc3OC(C)(O)C2C)OCO4)c1O MOL10193
-Cc1nc2c(nc1C)C(=O)C1=C(C2=O)C2C=CC1CC2 MOL10194
-COC12C=CC(CC1)C1=C2C(=O)c2nc(C)c(C)nc2C1=O MOL10195
-COC12C=CC(CC1)c1c2c(O)c2nc(C)c(C)nc2c1O MOL10196
-Cc1nc2c(nc1C)C(=O)c1ccccc1C2=O MOL10197
-Oc1nnc(Cl)c2c(O)c3ccccc3c(O)c12 MOL10198
-OC(CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)CN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 MOL10199
-CC1=CC(O)CC(C)=CC(O)C(=O)C=CC2C(CC1)C2(C)C MOL10200
-CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC.Cl MOL10201
-Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O MOL10202
-Nc1ccc(SSc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1 MOL10203
-O=C1CC2(CCc3ccccc32)C(=O)N1CN1CCN(c2ccccn2)CC1 MOL10204
-COc1cc(-c2nn3c(C)c(-c4ccccc4)nc3s2)cc(OC)c1OC MOL10205
-Brc1ccc(-c2nc3sc(-c4ccc5c(c4)OCO5)nn3c2Br)cc1 MOL10206
-O=Cc1c(-c2ccccc2)nc2sc(-c3ccc4c(c3)OCO4)nn12 MOL10207
-O=C1NC2C=CN(Cc3ccccc3)C=C2C(=O)N2CCCC12 MOL10208
-O=C(N=C1C(=O)C2(CCCCC2)C2(N=C(c3ccccc3)OC2=O)C12CCCCC2)c1ccccc1 MOL10209
-Cc1cccc(C2=NC(=C3CCCCC3)C(=O)O2)c1 MOL10210
-CC(=O)Nc1c(Nc2ccc3c(O)nccc3c2C)ccnc1O MOL10211
-COc1ccc(Nc2ccnc(O)c2NC(C)=O)cc1 MOL10212
-CNc1ccnc(O)c1NC(C)=O MOL10213
-ClCc1ccc2ccc3ccc(CCl)nc3c2n1 MOL10214
-BrCc1ccc2ccc3ccc(CBr)nc3c2n1 MOL10215
-Cc1ccc2c(c1)C1(SC(C)C(=O)N1c1ccc(Br)cc1)C(=O)N2 MOL10216
-CCc1ccc(N2C(=O)C(CC(=O)O)SC23C(=O)N(Cc2ccccc2)c2ccccc23)cc1 MOL10217
-O=C(O)CC1SC2(C(=O)N(Cc3ccccc3)c3ccccc32)N(c2ccccc2)C1=O MOL10218
-Cc1ccc2c(c1)C1(SCCC(=O)N1c1ccc(Cl)cc1)C(=O)N2 MOL10219
-COC(=O)C(=CNC(N)=O)C(=O)OC MOL10220
-COC(=O)c1cnc(O)nc1O MOL10221
-COC(=O)C1(F)C(=O)NC(=O)NC1O MOL10222
-CCn1ncc(N=O)c1N.Cl MOL10223
-CCn1ncc(N=O)c1N MOL10224
-CCn1ncc2c1nc(-c1ccccc1)c[n+]2[O-] MOL10225
-CC1OC(Oc2c(-c3ccc(O)c(O)c3O)oc3cc(O)ccc3c2=O)C(O)C(O)C1O MOL10226
-CC1OC(OC2C(Oc3c(-c4ccc(O)c(O)c4O)oc4cc(O)ccc4c3=O)OC(CO)C(O)C2O)C(O)C(O)C1O MOL10227
-O=c1c(-c2cccc(O)c2O)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12 MOL10228
-CC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)C(O)C1O MOL10229
-CC1OC(OC2C(Oc3ccc4c(=O)c(-c5ccc(O)c(O)c5O)coc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O MOL10230
-OC12C=CC(CCCC1)O2 MOL10231
-OC1(O)C=CCCCCCC=C1 MOL10232
-S=c1nnn(C2CCCN2)[nH]1 MOL10233
-Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NNC(N)=S)cc1 MOL10234
-COc1cc2c(c(C(C)(C)C)c1)OC1(O)C2=CC(=O)C=C1C(C)(C)C MOL10235
-CC(C)C12OC1CC13OC1C(O)CCC32O MOL10236
-CC(C)C12OC1CC13OC1C1OC1C1OC132 MOL10237
-O=C(O)c1ccc2c(c1)S(=O)(=O)NC2=O MOL10238
-Cc1ccc2c(c1)S(=O)(=O)NC2=O MOL10239
-CC1C2c3ccccc3C(c3ccccc32)C1CN1C(CCO)COC1c1ccccc1 MOL10240
-CCOC(=O)C1C(=O)C(C(=O)OC)C2CCCC3CCCC1N32 MOL10241
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 MOL10242
-Cc1csc2nc(=N[N+](=O)[O-])sn12 MOL10243
-O=[N+]([O-])N=c1nc2scc(-c3ccc([N+](=O)[O-])cc3)n2s1 MOL10244
-O=C1OC(OCC(Br)=C(Br)COC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl MOL10245
-O=C1OC(OCC#CCOC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl MOL10246
-O=C1OC(OCC(Br)=C(Br)COC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl MOL10247
-Cc1ccc(-c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cn1 MOL10248
-[N-]=[N+]=NCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CN=[N+]=[N-])C(=O)C2C31 MOL10249
-C[n+]1c(-c2ccc(C=CC=NNC(=O)c3ccc(C(=O)NN=CC=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1 MOL10250
-CCCCSc1ccc2n(c1)cc(-c1ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6cc(SCCCC)ccc6[n+]5C)cc4)cc3)cc1)[n+]2C.Cc1ccc(S(=O)(O)=[OH+])cc1 MOL10251
-C[n+]1c(-c2ccc(C=NNC(=N)NCCCCCCNC(=N)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.I.[I-] MOL10252
-C[n+]1c(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1 MOL10253
-O=C1c2ccccc2-c2cc3ccccc3c(=O)n21 MOL10254
-O=c1c(Cl)c(O)ccn1C1OC(CO)C(O)C1O MOL10255
-O=C(CCCNC(=O)OCc1ccccc1)OCc1ccc2c(c1)C(=O)c1ccccc1C2=O MOL10256
-CCOC(=O)CC(=O)N(c1ccc(OC)cc1)C(C(=O)OC)c1ccccc1 MOL10257
-COC(=O)C(Nc1ccc(OC)cc1)c1ccccc1 MOL10258
-CS1(C)=NC(=O)C2=C(N=1)c1ccccc1S2(=O)=O MOL10259
-CS1(C)=NC(=O)c2cc([N+](=O)[O-])ccc2N=1 MOL10260
-CS1(C)=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2S(=O)(=O)N=1 MOL10261
-N#Cc1c(=O)[nH]c(=O)n2c1[nH]c1ccccc12 MOL10262
-O=NNc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cn1.[NaH] MOL10263
-O=NNc1ccc(S(=O)c2ccccc2)cn1.[NaH] MOL10264
-CC=C1CN2C3CC1C1(C(=O)OC)C2CC2(c4cc(OC)ccc4N(C)C32)C1OC(C)=O MOL10265
-C=C(CN(C)C)C(=O)c1ccc(OC)cc1.Cl MOL10266
-C=C(CN(C)C)C(=O)c1ccc(Oc2ccccc2)cc1.Cl MOL10267
-COc1ccc(C(=O)C(CN2CCOCC2)CN2CCOCC2)cc1.Cl MOL10268
-Cc1ccc(S(=O)(=O)NC(=O)NC2=NC(C)(C)N(c3ccc(Cl)c(Cl)c3)C(=N)N2)cc1 MOL10269
-O=c1[nH]c2ccc(O)cc2o1 MOL10270
-Nc1cc(-c2ccc(Cl)cc2)nn1-c1nnc2c(n1)[nH]c1ccccc12 MOL10271
-Cn1c2ccccc2c2nnc(-n3nc(-c4ccccc4)cc3N)nc21 MOL10272
-Cn1c2ccccc2c2nnc(-n3nc(-c4ccc(Br)cc4)cc3N)nc21 MOL10273
-O=C(c1ccc(Cl)cc1)c1cnc2nc(-c3ccccc3)c(-c3ccccc3)nn12 MOL10274
-C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2cc(O)c(O)cc2CCN1C(C)=O MOL10275
-O=c1c(Cl)nsnc1Cl MOL10276
-CCOC(=O)n1c2ccccc2c(=O)n1CCO MOL10277
-O=[N+]([O-])c1ccc2c(c1)C(N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 MOL10278
-O=C1CSCc2sccc21 MOL10279
-CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3(C=NO)n3c(=O)n(-c4ccccc4)c(=O)n3C2(C=NO)C1 MOL10280
-CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3(C#N)n3c(=O)n(-c4ccccc4)c(=O)n3C2(C#N)C1 MOL10281
-COC(=O)C1=NOC2C(=O)N(c3ccccc3)C(=O)C12 MOL10282
-O=NNc1nc(-c2cccnc2)nc2ccccc12.[NaH] MOL10283
-COc1cc([N+](=O)[O-])c(OC)c2c(O)nc(O)nc12 MOL10284
-Br.CCN(CC)CCN(C)CC(C)(C)C(=O)C=Cc1ccccc1 MOL10285
-Cc1cc2c(cc1C)NS(=O)(=O)N2 MOL10286
-C=C(C)C(=O)N1c2ccc(OC)cc2CC1C(=O)OCC MOL10287
-CC(CSC(=O)c1ccccc1)C(=O)N1c2ccccc2CC1C(=O)O MOL10288
-CC(CS)C(=O)N1c2ccccc2CC1C(=O)O MOL10289
-COC(=O)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL10290
-COC(=O)CN1C(=O)c2cccc3cc(N)cc(c23)C1=O MOL10291
-COC(=O)C1=C(O)c2cc(C)c(C)c(C#N)c2NC(=O)C1 MOL10292
-NC(=O)c1cccc(OCC(O)CO)c1 MOL10293
-O=C(C=CC(Cl)(Cl)Cl)Nc1ccc(Cl)cc1 MOL10294
-C1SSCC2=C1CSSC2 MOL10295
-CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccccc4)coc23)O1 MOL10296
-Cc1c2c(c(C)c3c1C(=O)c1cc4c(cc1C3=O)OCO4)OCO2 MOL10297
-COC(=O)c1c2c(cc3nc4ccccc4nc13)OCO2 MOL10298
-COc1ccc(-c2coc3cc(OC)cc(O)c3c2=O)cc1 MOL10299
-O=C(c1ccccc1)N1OCCCc2ccccc21 MOL10300
-CN1C(=O)N(C)P(=O)(c2ccccc2)P1c1ccccc1 MOL10301
-Cc1cc2[nH]c3c(C#N)c(O)c(C)c(=O)n3c2cc1C MOL10302
-c1ccc2c(c1)[nH]c1c3ccccc3sc21 MOL10303
-CN=C1OC2(c3ccccc3)C3=C(OC(=NC)N2C)C(=O)OC3(c2ccccc2)N1C MOL10304
-Cl.c1cnc2c(c1)-n1cccc1C1(CCCCC1)NN2 MOL10305
-CC(=O)OC1CC2C(=S)Nc3cc4c(cc3C(=O)N2C1)OCO4 MOL10306
-CSC1=Nc2cc3c(cc2C(=O)N2CC(OC(C)=O)CC12)OCO3 MOL10307
-C=CCC12CC(COc3ccccc3C(N)=O)OC1=Nc1ccccc1NC2=O MOL10308
-C=CCC12CC(C)OC1=Nc1ccccc1NC2=O MOL10309
-CCN(CC)CCC12CC(C)OC1=Nc1ccccc1NC2=O MOL10310
-O=S1(=O)CCC2=CC(C(F)(F)F)=CC(C(F)(F)F)=CN21 MOL10311
-NNC(=O)C1C(C(=O)NN)C2C3C=CC(C4C(=O)NC(=O)C34)C12 MOL10312
-N#Cc1cnn2cc[nH]c12 MOL10313
-N#Cc1nn(C(N)=O)c(N)c1C#N MOL10314
-N#Cc1nn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)c2ncnc(O)c12 MOL10315
-COCCNc1cncc(C(N)=O)c1 MOL10316
-CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C MOL10317
-O=NNc1nc(-c2ccccn2)nc2ccccc12.[NaH] MOL10318
-Cl.O=C1c2ccccc2C(=O)N1CCc1ncc(-c2ccccc2)[nH]1 MOL10319
-COc1nc(O)cc(NC2OC(CO)C(O)C(O)C2O)n1 MOL10320
-COc1nc(NC2OCC(O)C(O)C2O)cc(=O)n1C MOL10321
-COc1nc(NC2OC(CO)C(O)C(O)C2O)cc(=O)n1C MOL10322
-CSc1nc(O)cc(NC2OCC(O)C(O)C2O)n1 MOL10323
-CSc1nc(O)cc(NC2OC(CO)C(O)C(O)C2O)n1 MOL10324
-CSc1nc(NC2OCC(O)C(O)C2O)cc(=O)n1C MOL10325
-CSc1nc(NC2OC(CO)C(O)C(O)C2O)cc(=O)n1C MOL10326
-Cl.Nc1ccc2cc3ccc(N)cc3nc2c1 MOL10327
-CCC(C)(C)c1ccc(OCCCCNC(=O)c2ccc3ccccc3c2O)c(C(C)(C)CC)c1 MOL10328
-CCCC(=O)Nc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC MOL10329
-COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1N MOL10330
-COc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F MOL10331
-COc1ccc(S(=O)(=O)O)cc1N=NC(=NNc1cc(S(=O)(=O)O)ccc1OC)C(=O)Nc1ccccc1.[NaH] MOL10332
-Oc1ccccc1C=NCCSSCCN=Cc1ccccc1O MOL10333
-CCOC(=O)c1cc(C(=O)OCC)c2cccc3cccc1-n-3-2 MOL10334
-C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 MOL10335
-C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 MOL10336
-C#CC(C)(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 MOL10337
-COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 MOL10338
-COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 MOL10339
-COc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2c1 MOL10340
-COc1cc(C)c(O)c(CC=C(C)CC2=CC3(C)CCCC3(C)C3(C=CC(C)(C)O3)O2)c1 MOL10341
-CC1COC(c2cn[nH]c2C(N)=O)C1O MOL10342
-C=C1C(OC(C)=O)CC2CC3(C)C(OC(C)=O)CC(C)(C)C3C12O MOL10343
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc(CO)cc3nc2-1 MOL10344
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 MOL10345
-CC1(C)S(=O)(=O)OCCOS1(=O)=O MOL10346
-Cc1ccc(S(=O)(=O)O)cc1.c1ccc(NNC2=NCCN2)cc1 MOL10347
-[O-][N+]1=Cc2ccc(O)c(O)c2[OH+][Cu-3]12[OH+]c1c(ccc(O)c1O)C=[N+]2[O-] MOL10348
-N#Cc1c(-c2ccccc2)cn2c1[nH]c(=O)c1ccccc12 MOL10349
-COc1ccc(-c2cn3c([nH]c(=O)c4cc(Br)ccc43)c2C#N)cc1 MOL10350
-Cc1sc2c(c1C)c(=O)[nH]c1c(C#N)c(-c3ccc(Cl)cc3)cn12 MOL10351
-O=S(=O)(c1ccccn1)c1nc2ccccc2s1 MOL10352
-O=c1c2ccccc2sc2cccc(NCCCN3CCN(CCCNc4cccc5sc6ccccc6c(=O)c45)CC3)c12 MOL10353
-Cc1ccc(NCCCN2CCN(CCCNc3ccc(C)c4sc5ccccc5c(=O)c34)CC2)c2c(=O)c3ccccc3sc12 MOL10354
-C=C1CC(C)(Cn2cnc3c(N)ncnc32)OC1=O MOL10355
-C=C1CC(C)(Cn2c(=N)[nH]c3[nH]cnc3c2=O)OC1=O MOL10356
-CCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10357
-CCCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10358
-CCCCNCC(=O)OC1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10359
-COc1c2c3c(ccnc3c3ccccc13)C(=O)N2C MOL10360
-O=P1(c2ccccc2)C=C(c2ccccc2)NC(c2ccccc2)=C1 MOL10361
-CCN(CC)P1(=O)C=C(C)C2C1C1C=C(C)C2P1(=O)N(CC)CC MOL10362
-CN1NC(=O)SC(=O)c2ccccc2C1=O MOL10363
-COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N MOL10364
-COc1ccc(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1.[NaH] MOL10365
-COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1NS(=O)(=O)c1ccc(C)cc1.[NaH] MOL10366
-CC1=NC(C)(COC(=O)C2(C)NC(C)(CO)CO2)COC1=O MOL10367
-COc1ccc(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(O)=[OH+])ccc1OC.[NaH] MOL10368
-N#Cc1cnn2ccn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c12 MOL10369
-CN(C)CCN(C)CCC(=O)C=Cc1ccccc1.Cl MOL10370
-COc1ccc(N=C2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 MOL10371
-Cc1cc2c(=O)c3ccccc3oc2c(C(=O)O)c1C MOL10372
-Cc1cc2c(=O)cc(-c3ccccc3Cl)oc2c(C(=O)O)c1C MOL10373
-CC12OC(=O)C(C(N)=O)=C1C=C(c1ccccc1)CC2c1ccccc1 MOL10374
-CC1=C(C#N)C(=O)OC1(C)C(CC(=O)c1ccccc1)c1ccccc1 MOL10375
-CC1=CC2=C(C#N)C(=O)OC2(C)C(c2ccccc2)C1 MOL10376
-CC1=CC2=C(C(N)=O)C(=O)OC2(C)C(c2ccccc2)C1 MOL10377
-CC1=C(C#N)C(=N)OC1(C)C1CC(=O)C=CC1=O MOL10378
-COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(OC(=O)CN(C)C)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C.CS(=O)(=O)O MOL10379
-CCN(CC)CCC(=O)OC1C(C)=CC(C)C(=O)CC(C(C)CC2CCC(O)C(OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C1OC.Cl MOL10380
-CSC1=Nc2cc3c(cc2C(=O)N2CC(O)CC12)OCO3 MOL10381
-NNC1=Nc2cc3c(cc2C(=O)N2CC(O)CC12)OCO3 MOL10382
-O=C1Nc2cc3c(cc2C(=O)N2CC(=NO)CC12)OCO3 MOL10383
-Cc1cc(=O)oc2c1c(C)nn2-c1cccc(Cl)c1 MOL10384
-COC(=O)C1=CCCC2C1(C)CCC(C)C21CC(c2ccoc2)OC1=O MOL10385
-C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1OC(C)=O MOL10386
-CC1(O)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3 MOL10387
-CC(C)CC[Ge](CCC(C)C)(CCC(C)C)CCC(C)C MOL10388
-O=S(O)CCCCSSCC(O)CO.[NaH] MOL10389
-O=C1Nc2ccccc2C12OCCS2 MOL10390
-CCC1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10391
-CCC1(OC(=O)CNC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10392
-CC(O)(CCCCCl)c1nc2ccccc2s1 MOL10393
-COc1cccc2c1C(CO)N1C(C#N)C3CC(C(=O)O)C(C1C2)N3C MOL10394
-O=C1NC2CS(=O)(=O)CC2N1 MOL10395
-O=C1N(Cc2ccccc2)C2CS(=O)(=O)CC2N1Cc1ccccc1 MOL10396
-CC1OC2CC(=O)OC2C2=C1C(=O)c1c(ccc(C3CC(N(C)C)C(O)C(C)O3)c1O)C2=O.Cl MOL10397
-Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)(C)C=C3 MOL10398
-CCOC(=O)c1c(C)n(C)c2c1nnc1ccccc12 MOL10399
-CN1C(c2ccccc2)=C(C#N)C(=O)CC(c2cccs2)N1C MOL10400
-Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3F)cnc2n1.O=C(O)C(F)(F)F MOL10401
-COc1cc2c(cc1C)C1=C(C)C(=O)OC1C(O)C2C MOL10402
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(Cc4ccccc4)NC(=O)OC(C)(C)C)C(=O)C2C31 MOL10403
-O=C(CC(O)CCc1ccc(O)c(O)c1)OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 MOL10404
-CC(=O)C(=Cc1ccc(C=C(C(C)=O)C(C)=O)cc1)C(C)=O MOL10405
-Fc1ccc(SC(CCl)CCl)cc1 MOL10406
-O=c1c(-c2ccccc2)coc2cc(O)ccc12 MOL10407
-COc1ccc(-c2c(C(=O)O)oc3cc(O)ccc3c2=O)cc1OC MOL10408
-CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1 MOL10409
-Br.CCN(CC)OC(=O)C=Cc1ccccc1 MOL10410
-CN1C(=O)C2C(C1=O)C1c3ccccc3C=CN1C2C(=O)c1ccccc1 MOL10411
-Br.CCN(CC)CCOC(=O)C=Cc1ccccc1 MOL10412
-Cc1ccc2c(c1)C1(SC(C)C(=O)N1c1ccc(I)cc1)C(=O)N2 MOL10413
-O=[N+]([O-])OC1CCCC(O[N+](=O)[O-])c2c1[n+]([O-])c1ccccc1[n+]2[O-] MOL10414
-Brc1ccc(-c2c[nH]c3nc4nc5ccccc5c-4nn23)cc1 MOL10415
-COC(=O)C1C2CCCN2OC1(C)CO MOL10416
-CC(C)(C)c1cc(C(C)(C)C)c2[n+]([O-])ssc1-2 MOL10417
-CN(C)C1C(CO)OC(n2cnc3c(N)ncnc32)C1O MOL10418
-O=NNc1ccc2ccccc2n1.[NaH] MOL10419
-C=C1C(=O)C23OC2C1CCC(=O)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3O MOL10420
-O=[N+]([O-])C=Cc1cc2c(ccc3ccccc32)[nH]1 MOL10421
-O=[N+]([O-])C=Cc1c[nH]c2c1ccc1ccccc12 MOL10422
-O=[N+]([O-])C=Cc1cc2ccc3ccccc3c2[nH]1 MOL10423
-CCOC(=O)c1[nH]c2c(cc(C=O)c3ccccc32)c1C MOL10424
-CCOC(=O)c1cc2c(ccc3ccccc32)[nH]1 MOL10425
-COC=C(C#N)S(=O)(=O)C(C#N)=COC MOL10426
-CN(C)c1cccc2c(S(=O)(=O)NCCCCCCCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)cccc12 MOL10427
-CN(C)C=Cc1c([N+](=O)[O-])ncn1C MOL10428
-CCC=CCC=CCC=CCCCCCCCC(=O)OCC MOL10429
-CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)CO MOL10430
-COC(=O)C1=CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C12 MOL10431
-CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C=CC1=O MOL10432
-N#CC(=Cc1cccs1)c1cccs1 MOL10433
-Cc1nc2cc(C(=O)NC=O)c3nn[nH]c3c2n1C MOL10434
-Cc1cc(N=C2C=C(Br)C(=O)C(Br)=C2)cc(CN(CC(=O)O)CC(=O)O)c1O.[NaH] MOL10435
-CN1C2OC3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2CC13)OCO4 MOL10436
-COc1cc2oc3c(OC)ccc4ccnc(c(=O)c2cc1OC)c43 MOL10437
-COc1ccc2c(c1OC)Oc1c(OC)ccc3c1C(C2)N(C)CC3O MOL10438
-COc1ccc(-c2cc(-c3cc(C)cc(Br)c3O)no2)cc1 MOL10439
-CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21 MOL10440
-CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21 MOL10441
-CC(C)(C)c1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1 MOL10442
-NC(Cc1ccccc1)C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(COC(=O)C(N)Cc4ccccc4)C(=O)C2C31.O=C(O)C(O)C(O)C(O)C(O)CO.[Na]Cl MOL10443
-COC(=O)Nc1cn2ccsc2n1 MOL10444
-COC(=O)Nc1cn2nc(C)sc2n1 MOL10445
-COC(=O)Nc1cn2c(n1)sc1ccccc12 MOL10446
-CCCCCC(Nc1nncs1)Nc1nncs1 MOL10447
-O=C([OH+][Pt-2]1([OH+]C(=O)c2ccc(N=Nc3cccc([N+](=O)[O-])c3)cc2O)NC2CCCCC2N1)c1ccc(N=Nc2cccc([N+](=O)[O-])c2)cc1O MOL10448
-Cc1ccc2oc(-c3n[nH]c(=N)s3)cc(=O)c2c1 MOL10449
-CCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O MOL10450
-O=C(O)CCSSCCCCS(=O)O.[NaH] MOL10451
-Cc1oc(C)c2c1C(=O)N(C)C2=O MOL10452
-N#Cc1c(-c2ccccc2)ssc1=S MOL10453
-O=c1c2cncnc2sc2nccn12 MOL10454
-O=c1c2cncnc2sc2nc3ccccc3n12 MOL10455
-CC1(C)OC2C(COCc3ccccc3)=CC(n3ccc(=O)[nH]c3=O)C2O1 MOL10456
-CC(C)CC1=C(C(=O)c2ccoc2)CC(C)C1 MOL10457
-S=C(SSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL10458
-COc1c(OC2OC(CO)C(O)C(O)C2O)cc2occ(-c3ccc4c(c3)OCO4)c(=O)c2c1O MOL10459
-COC(=O)N1C=CC2ON=C(OC)C2C1c1ccccc1 MOL10460
-O=C(C1CC2CCN1CC2)N1CCN(C(=O)C2CC3CCN2CC3)CC1 MOL10461
-CCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC.Cl MOL10462
-CCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C.Cl MOL10463
-CCCCCCn1c(SC)nc(COC(=O)NC)c1COC(=O)NC.Cl MOL10464
-CCCCCCSc1nc(COC(=O)NC)c(COC(=O)NC)n1C.Cl MOL10465
-Cc1cccc(N2C(c3ccccc3)c3ccc(C)cc3NS2=O)c1 MOL10466
-O=C(C=Cc1ccccc1)c1cc2c(cc1O)OCO2 MOL10467
-COC(=O)C1=C(C(=O)OC)NC=C2CCCC2=N1 MOL10468
-CC(N)=Cc1nc(=O)ccs1 MOL10469
-Cc1cc(=O)c(C#N)c(C)s1 MOL10470
-CC(C)N1CC(=O)N2CSCC2C1=O MOL10471
-COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N4CCN(C)CC4)C3=O)N1CC1NC12 MOL10472
-COc1ccc2c(c1OC)OCC(CN(C)C)C2=O.Cl MOL10473
-CCC1COC2=NC(=O)C(=CNCCCN(C)C)C(=N)N21 MOL10474
-CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCC(=O)NCCCN(C)C)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C.Cl MOL10475
-COc1cc(NCC2COc3c(ccc(OC)c3OC)C2=O)c([N+](=O)[O-])cc1OC MOL10476
-CC(C)NC(=O)OCCS(=O)c1c(Cl)c(Cl)nn1C MOL10477
-C12=C3[C-]4C5=C1[Fe+3]23541678C2=C1[C-]6C7=C28.O=C(O)C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl MOL10478
-C12=C3[C-]4C5=C1[Fe+3]23541678C2=C1[C-]6C7=C28.O=C(O)C(Cl)(Cl)Cl.O=C([O-])C(Cl)(Cl)Cl MOL10479
-O=C([O-])CC[C-]1C2=C3C4=C1[Fe+2]3421567C2=C1[C-]5C6=C27 MOL10480
-c1ccc2c3c([nH]c2c1)C1CCN2CCCC2N1CC3 MOL10481
-N=c1[nH]c(=O)n(C2CCC(CO)O2)cc1F MOL10482
-CC(O)C1OC(O)C2OC(C)(C)OC12 MOL10483
-COC1OC(C(C)O)C2OC(C)(C)OC12 MOL10484
-O=C(Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1)c1ccccc1 MOL10485
-CS(=O)(=O)OCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)CC1OS(C)(=O)=O MOL10486
-N=c1ccn(C2CC3OCC3O2)c(=O)[nH]1 MOL10487
-COc1ccc(C(OCC2OC(n3ccc(NC(=O)c4ccccc4)nc3=O)C(O)C2O)(c2ccccc2)c2ccccc2)cc1 MOL10488
-CC1Cn2c(Cc3ccccc3)nnc2S1 MOL10489
-CC1Cn2c(nnc2-c2ccccc2O)S1 MOL10490
-c1ccc(Cc2nnc3n2CCC(c2ccccc2)S3)cc1 MOL10491
-c1ccc(-c2nc3n(n2)CCC(c2ccccc2)S3)cc1 MOL10492
-O=C(O)CCSSCCCS(=O)O.[NaH] MOL10493
-O=C(O)CCSSCCCCCS(=O)O.[NaH] MOL10494
-Cc1cccc(N2CC3CC4C=CC3(C2)O4)c1 MOL10495
-CC(=O)[OH+][Zn-2]12[N+](=Cc3cccc[n+]31)[N-]c1ccc3ccccc3[n+]12.CC(O)=[OH+] MOL10496
-C1=[N+]2[N-]c3cccc[n+]3[Fe-4]234([N+](=Cc2cccc[n+]23)[N-]c2cccc[n+]24)[n+]2ccccc21.[Cl-] MOL10497
-Cn1c(=O)c2c(ncn2Cc2ccc(O)c([N+](=O)[O-])c2)n(C)c1=O MOL10498
-O=C(O)c1ccc(CI)cc1 MOL10499
-COc1c(CCl)cc(-c2cc(=O)c3ccccc3s2)cc1CCl MOL10500
-COC(=O)NNC(=O)OC.COC(=O)Nc1ccccc1NC(=O)OC.COC(=O)Oc1nn(C(=O)OC)c(=O)c2ccccc12 MOL10501
-CC(=O)On1c(-c2ccccc2-c2nc3ccccc3n2OC(C)=O)nc2ccccc21 MOL10502
-COC(=O)Oc1nn(C(=O)OC)c(=O)c2ccccc12 MOL10503
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O MOL10504
-CC1CC2OC(C=CC=CC=CC=CC=CC(=O)C3=C(O)C(C(C)C)N(C)C3=O)C(O)C2O1.[NaH] MOL10505
-CC1c2ccccc2NC(=O)N1N1CCOCC1 MOL10506
-COc1cccc(C2Nc3ccccc3C(=O)N2N2CCOCC2)c1 MOL10507
-O=C1c2ccccc2NC2(C(=O)Nc3ccccc32)N1N1CCOCC1 MOL10508
-Cc1ccc(S(=O)(=O)O[IH2](C#CC(C)(C)C)c2ccccc2)cc1 MOL10509
-NC(CCC(=O)NC(CS(=O)(=O)O)C(=O)O)C(=O)O MOL10510
-NC(CCC(=O)NCCCC(=O)O)C(=O)O MOL10511
-CSCCC(N)C(=O)NCCS(=O)(=O)O MOL10512
-NC(CO)C(=O)NCCS(=O)(=O)O MOL10513
-COC(=O)n1nnc2ncccc21 MOL10514
-O=c1oc2ccccc2c(O)c1C1=NC(=NN=Cc2ccc(Cl)cc2)SC1 MOL10515
-CC1SC(=NN=Cc2ccc(Cl)cc2)N=C1c1c(O)c2ccccc2oc1=O MOL10516
-CC1SC(=N)NN=C1c1c(O)c2ccccc2oc1=O MOL10517
-CCCNCCOc1nc(Cl)c(Cl)cc1Cl MOL10518
-COc1ccc(C2Oc3cc(OC)ccc3C(=O)C2c2ccccc2)cc1 MOL10519
-COc1ccc(C2C(=O)c3ccc(OC)cc3OC2c2ccccc2)cc1 MOL10520
-Cc1cc(=O)oc2c1ccc1occc(=O)c12 MOL10521
-Cc1cc(=O)oc2ccc3c(=O)ccoc3c12 MOL10522
-ClCCCSSCCCCl MOL10523
-O=S(=O)(CCCCl)SCCCCl MOL10524
-C=CCSC(C)=O MOL10525
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl MOL10526
-CSC(SC)(C(=O)O)c1cc(-c2c(Cl)cccc2Cl)no1 MOL10527
-CCOC(=O)C1=C(C)C(=Cc2[nH]c(C)c(C(=O)OCC)c2C)N=C1C MOL10528
-CN(C)c1ccc(C2N(C)CCN2C)cc1 MOL10529
-Cc1oc2ccccc2c(=O)c1CN1CCN(c2ccccn2)CC1.Cl MOL10530
-O=C(Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1 MOL10531
-S=CN1CCCCC1 MOL10532
-CONC(C)=O MOL10533
-Cc1nc2cc(N)c(Cl)cc2[nH]1 MOL10534
-Cl.NC1CCCC(O)C1O MOL10535
-Cl.NC1CCCC(O)C1O MOL10536
-CC(C)CCCC(C)C1CCC(C2CC(O)C3CC(O)C(O)CC3(CO)C2=O)C1(C)CCO MOL10537
-Cc1ccc2nc(N(C)C)nc-2c2nc(Cl)[nH]c12.Cl MOL10538
-Cc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 MOL10539
-O=C(Nc1nnc(-c2ccccc2)s1)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 MOL10540
-Cl.O=C1C(=Cc2ccccc2)CNCC1=Cc1ccccc1 MOL10541
-CCN1CCC(O)(C=Cc2ccccc2)C(C(=O)C=Cc2ccccc2)C1.Cl MOL10542
-NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N MOL10543
-Oc1ccccc1C1=[O+][Mn+]234([O+]=C(c5ccccc5O)[N-][N+]2=Cc2cccc[n+]23)[N+](=Cc2cccc[n+]24)[N-]1 MOL10544
-Oc1ccccc1C1=[O+][Co-4]234([O+]=C(c5ccccc5O)[N-][N+]2=Cc2cccc[n+]23)[N+](=Cc2cccc[n+]24)[N-]1 MOL10545
-COC(=O)Nc1cn2c(n1)SCC2 MOL10546
-COC(=O)Nc1cn2[nH]c(=N)sc2n1 MOL10547
-CC(=O)ONC(=O)CSc1nn2cc(-c3ccccc3)nc2s1 MOL10548
-CCCSc1nn2cc(NC(=O)OC)nc2s1 MOL10549
-CC(=O)ONc1nn2cc(-c3ccccc3)nc2s1 MOL10550
-COc1cc(-c2oc3c(OC)cc(OC)c(O)c3c(=O)c2OC)cc(OC)c1OC MOL10551
-O=CNC=Cc1ccccc1 MOL10552
-COc1ccc(OC)c(C=CNC=O)c1 MOL10553
-O=CNC=Cc1cc(O)ccc1O MOL10554
-COc1ccc(OC)c(C=C[N+](=O)[O-])c1 MOL10555
-Cc1ccccc1N1CC2CC3C=CC2(C1)O3 MOL10556
-CCC1(OC(=O)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.[NaH] MOL10557
-CCC1(OC(=O)C(N)CCCCN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10558
-CCC1(OP(=O)(O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 MOL10559
-CCC1(OC(=O)C(N)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL10560
-N#CC12CCCC(=O)N1c1ccccc1S2 MOL10561
-CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(-n3cccc3)cc21 MOL10562
-CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3cccc3)cc21 MOL10563
-O=c1cc(CCl)n2cnc3c(ncn3C3OC(CO)C(O)C3O)c2n1 MOL10564
-O=c1cc(CCl)nc2c3ncn(C4OC(CO)C(O)C4O)c3ncn12 MOL10565
-Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)=Cc3c2[nH]c(=O)n(-c2ccccc2)c3=O)cc1 MOL10566
-CCCNc1nc2c(c(=O)n1-c1ccccc1)C=C(C(=O)OC)CCN2S(=O)(=O)c1ccc(C)cc1 MOL10567
-CC1NC(=O)C(C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=CC2NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C2=CN(Cc3ccccc3)C=CC2NC1=O MOL10568
-CSc1nc(=O)n(CCC#N)nc1SC MOL10569
-CCCCCCCCCCCC(=O)c1c(O)cc(C)oc1=O MOL10570
-C=CCC1(C(C)Cc2ccc(OC)c(OC)c2)CC(OC)C=CC1=O MOL10571
-C=CCC1(C(C)C(OC(C)=O)c2ccc3c(c2)OCO3)CC(OC)C=CC1=O MOL10572
-Cc1cc(Oc2cnc(O)nc2)cs1 MOL10573
-O=[N+]([O-])c1ccc(-c2cn(-c3ccc(Cl)cc3)cn2)cc1 MOL10574
-CCOC(=O)c1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 MOL10575
-OC1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 MOL10576
-C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)c(O)c3O)cc2)cn2ccccc21.[Br-] MOL10577
-C[n+]1c(-c2ccc(C=NNC(=O)c3cc(O)c(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3O)cc2)cn2ccccc21.[Br-] MOL10578
-C[n+]1c(C=NNC(=O)c2ccc(C(=O)NN=Cc3cn4ccccc4[n+]3C)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1 MOL10579
-C[n+]1c(C=Cc2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(C=Cc5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1 MOL10580
-C=C(C)CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C MOL10581
-O=S(=O)(O)CCCNC(CO)(CO)CO MOL10582
-O=S(=O)(O)CC(O)CNC(CO)(CO)CO MOL10583
-NC12CCC(N)(c3ccccc31)c1ccccc12 MOL10584
-O=C1N=C2SCCCN2C1(c1ccccc1)c1ccccc1 MOL10585
-O=C1N2CCCSC2=NC1(c1ccccc1)c1ccccc1 MOL10586
-N=c1ccn(C2CC(F)C(CO)O2)c(=O)[nH]1 MOL10587
-CC(C)=CCCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(=O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C MOL10588
-CC(C=CC=CC=CC=CC=CC(=O)C1=C(O)C(CCC(=O)O)N(C)C1=O)=CC(C)C(OC1CC(O)C(O)C(C)O1)C(C)C.[NaH] MOL10589
-CCCCCC12OCC(C)(C)N1O2 MOL10590
-CC1(C)COC2(C)ON12 MOL10591
-CC(C)(CO)[N+](=O)[CH-]c1ccccc1 MOL10592
-CC1(C)COC2(C)N(c3ccccc3)C(=O)ON12 MOL10593
-CCC12OCC(C)(C)N1OC(=O)N2c1ccccc1 MOL10594
-CC1(C)COC2(c3ccccc3)N(c3ccccc3)C(=O)ON12 MOL10595
-COC(=O)C1=C(c2ccccc2)ON2C(C)(C)COC12C MOL10596
-CC1(C)CCC2(C)N(c3ccccc3)C(=O)ON12 MOL10597
-O=C1OCC23CCC4C1C42CC1(CC3)OCCO1 MOL10598
-CCOC=C(C)CC1([N+](=O)[O-])C(=O)c2ccccc2C1=O MOL10599
-OC1C=CC2C(CC1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21 MOL10600
-CC1=NS(=O)(O)=NC(C)=C1CC1=C(C)N=S(=O)(O)N=C1C MOL10601
-COc1cc(Br)c(-c2coc3c(OC)c(OC)ccc3c2=O)cc1OC MOL10602
-CC1(CCC(=O)c2ccc3c(c2)OCO3)OCCO1 MOL10603
-COc1ccc(C(=O)CCC2(C)OCCO2)cc1OC MOL10604
-COc1ccc(-c2cc3c(c4cc(OC)ccc24)C(=O)OC3=O)cc1 MOL10605
-COc1cnc2cc(C(=O)O)c3c([N+](=O)[O-])cccc3c2c1 MOL10606
-CCOc1cc2c(=O)oc3c(OC)ccc4ccc(c1OC)c2c43 MOL10607
-CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321 MOL10608
-CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321 MOL10609
-CC(C)(O)c1cc2nc3ccccc3nc2n1CCO MOL10610
-Cl.NC(CO)Cc1c[nH]cn1 MOL10611
-CCC(C)C(=O)c1c(O)c(CC=C(C)CCC=C(C)C)c(O)c2c(C(O)CC)cc(=O)oc12 MOL10612
-CC1(Cl)CCC2(CC1Br)C(C)(C)C(Br)=CC1OC12C MOL10613
-CC1(Cl)CC(O)C2(CC1Br)C1(C)OC1C1OC1(Br)C2(C)C MOL10614
-CC1=CC(O)C(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2 MOL10615
-CC1=CCC(Br)C(C)(C)C12CCC(C)(Cl)C(Br)C2 MOL10616
-CC1C2Cc3ccc(O)cc3C1(C)CCN2C MOL10617
-CCOC(=O)C(C#N)C1=CC(=O)C(=O)c2ccc(O)cc21 MOL10618
-Nc1n[n+]([O-])c2cnccc2[n+]1[O-] MOL10619
-CC(C)(CCc1nc2ccccc2[nH]1)C(=O)O MOL10620
-COc1ccc2c(c1)C1OCCNC1CC2.Cl MOL10621
-Cc1c2ccncc2c(C)c2c1[nH]c1ccc(F)cc12 MOL10622
-COc1cc2cc3cc(-c4ccc(Cl)cc4)c(N4CCN(C)CC4)nc3nc2cc1OC MOL10623
-CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C5(OCOC5=O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1 MOL10624
-CC1(C)OC2C(=O)C=C(COCc3ccccc3)C2O1 MOL10625
-CCSSc1ccccc1C(=O)NC(CC)CO MOL10626
-CCC(C)SSc1ccccc1C(=O)Nc1ccc(Cl)cc1 MOL10627
-COC(=O)c1nn(-c2ccc(Cl)cc2)c2nc3ccccc3c-2c1C(=O)OC MOL10628
-NC(=O)c1cccn1Cc1ccccc1SSc1ccccc1Cn1cccc1C(N)=O MOL10629
-O=C1Sc2ccccc2C(=O)N2CCCC12 MOL10630
-O=[N+]([O-])c1ccc(Nc2ccccc2)c2nonc12 MOL10631
-Cc1ccccc1Nc1ccc([N+](=O)[O-])c2nonc12 MOL10632
-COc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 MOL10633
-O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)c2nonc12 MOL10634
-CCOc1ccncc1[N+](=O)[O-] MOL10635
-COC(=O)CC1(C)CCC2(OC(CC(C)=O)C3C(C)(C)CCCC32C)O1 MOL10636
-COc1cc(C(=O)CBr)c(OC)cc1C MOL10637
-COc1cc(C(O)CCBr)c(OC)cc1C MOL10638
-N=c1[nH]c2cc(Cl)ccc2n1N MOL10639
-NC(=O)NC(=O)C(Cc1ccc(Cl)cc1)c1ccccc1 MOL10640
-O=C1NC(=O)C(Cc2ccccc2)(Cc2ccccc2)S1 MOL10641
-CC1(Br)CN(C(=S)Nc2ccccc2)C1=O MOL10642
-C=C1C(=O)SC(=NCc2ccccc2)N1C MOL10643
-O=C1SC(=NC2CCCCC2)N(C2CCCCC2)C1=C1C(=O)SC(=NC2CCCCC2)N1C1CCCCC1 MOL10644
-OCC1CCC(n2cnc3c(O)ncnc32)O1 MOL10645
-OC(C=Cc1ccccc1)Cc1nc2ccccc2[nH]1 MOL10646
-O=C1CCC(C2(O)c3ccccc3-c3ccccc32)C(=O)N1 MOL10647
-O=C1COC(C(=O)c2ccccc2)C(=O)N1 MOL10648
-CN1CCC23c4c5ccc(O)c4OC2C(=NN=C2CCC4(O)C6Cc7ccc(O)c8c7C4(CCN6C)C2O8)CCC3(O)C1C5 MOL10649
-C=CCN1CCC23c4c5ccc(O)c4OC2C(=NN=C2CCC4(O)C6Cc7ccc(O)c8c7C4(CCN6CC=C)C2O8)CCC3(O)C1C5 MOL10650
-CCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL10651
-COc1c(OC(C)=O)c(OC(C)=O)cc2c1-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL10652
-O=C1C2CN(Cc3ccccc3)CC2C(=O)N1c1ccccc1 MOL10653
-Oc1cc(CC2(O)CCCCC2)c2ccccc2n1 MOL10654
-Nc1nccc(CC(O)(c2ccccc2)c2ccccc2)n1 MOL10655
-Nc1nccc(CCc2ccccc2)n1 MOL10656
-COc1cc(-c2cc(O)c(-c3ccc4ccccc4n3)c(O)n2)cc(OC)c1OC MOL10657
-CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)OC(CO)C(O)C1O MOL10658
-CSc1cnn(CCC#N)c(=O)n1 MOL10659
-COc1cc2c(c(C3(O)C(=O)N(C)c4ccccc43)c1OC)OCO2 MOL10660
-CN1C(=O)C(O)(C2=C3OCOC3=CC(=O)C2=O)c2ccccc21 MOL10661
-COC1=CC(=O)C(OC)=C(C2C(=O)N(C)c3ccccc32)C1=O MOL10662
-COc1cc2c(c(C3C(=O)N(C)c4ccc(Br)cc43)c1OC)OCO2 MOL10663
-COc1c(OC)c(C2(O)C(=O)N(C)c3ccccc32)c2c(c1C1(O)C(=O)N(C)c3ccccc31)OCO2 MOL10664
-COCOc1c(OC)c(C2(O)C(=O)N(C)c3ccccc32)c(OCOC)c(OC)c1C1(O)C(=O)N(C)c2ccccc21 MOL10665
-CN1C(=O)C(O)(c2c3c(c(C4(O)C(=O)N(C)c5ccccc54)c4c2OCO4)OCO3)c2ccccc21 MOL10666
-COc1c(OC)c(C2(O)C(=O)N(C)c3ccccc32)c(OC)c(OC)c1C1(O)C(=O)N(C)c2ccccc21 MOL10667
-COC1=C(C2(O)C(=O)N(C)c3ccccc32)C(=O)C(OC)=C(C2(O)C(=O)N(C)c3ccccc32)C1=O MOL10668
-Cc1cccc(Nc2c3c(nc4ccccc24)CCCCC3)c1 MOL10669
-Cc1cc(C)c2c(n1)sc1c(=O)n(N)c(C)nc12 MOL10670
-O=CNC=Cc1ccccc1O MOL10671
-CC(=O)OC1C2CC(C)(C)CC2=C(C=O)C2(C=O)CC12C MOL10672
-O=S(=O)(O)C(O)C(F)(F)C(F)(F)C(F)(F)F.[NaH] MOL10673
-O=S(=O)(O)C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)S(=O)(=O)O.[NaH] MOL10674
-N#CCc1c(F)c(F)c(F)c(F)c1F MOL10675
-O=C(CC(O)c1cccnc1)CC(O)c1cccnc1 MOL10676
-CC(C)(C)[Si](C)(C)OCC1CCC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1 MOL10677
-CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)C(C)NC(=O)C(C)C1 MOL10678
-CC1(C)CCCC2(C)C1CCC1(C)C(CCc3ccoc3)C(=COS(=O)(O)=[OH+])CCC12.C[NH+](C)C(=N)N MOL10679
-CC1=CC(=O)OC2CC(CCC(C)C=CC=CCC1)OC(O)(C1CSC(=O)N1)C2 MOL10680
-CCCCCCCCCCCCCC(=O)OC1CCC(NC(=O)C(OC)C(O)C(O)C(O)C=CC(C)C)C(=O)NC1 MOL10681
-CN(CCC(N)CC(=O)NC1C=CC(n2ccc(=N)[nH]c2=O)OC1C(=O)O)C(=N)N MOL10682
-Cc1nc2ccccc2n(CC2CCCN3CCCCC23)c1=O MOL10683
-O=c1c(-c2ccccc2)nc2ccccc2n1CC1CCCN2CCCCC12 MOL10684
-COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccccn1)N(C)C2c1ccccn1 MOL10685
-CN1CC2(CO)C(c3ccccn3)N(C)C(c3ccccn3)C(CO)(C1)C2O MOL10686
-COC(=O)C12CN(C)CC(C(=O)OC)(C1=O)C(c1ccccc1)OC2c1ccccc1 MOL10687
-Nc1cc(F)ccc1CC(=O)O.[NaH] MOL10688
-CN(C)C(n1cc2c(c1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2)n1cc2c(c1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 MOL10689
-Cl.OCC1NC(CO)C(O)C1O MOL10690
-CN(CCC(N)CC(=O)NC1C=CC(n2ccc(=N)[nH]c2=O)OC1C(=O)O)C(=N)N.Cl MOL10691
-CC(C)=CCCC(C)=CCC12OC(C)(C)C(Cl)CC1(Cl)C(=O)c1c(O)cc(O)cc1C2=O.[NaH] MOL10692
-O=C(Nc1ccccc1)c1nn(-c2cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc2Cl)[n+](-c2cc(S(=O)(=O)O)c([N+](=O)[O-])cc2Cl)n1.[NaH] MOL10693
-COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-n1nc(-c2ccccc2)n[n+]1-c1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC.[NaH] MOL10694
-COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-[n+]1nc(C(=O)Nc2ccccc2)nn1-c1ccc([N+](=O)[O-])c(S(=O)(=O)[O-])c1.[NaH] MOL10695
-Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)N=CC(C)(C)O3.O=C(O)C(F)(F)F MOL10696
-CNC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)n2cc(F)c(=O)[nH]c2=O)C1=O MOL10697
-O=C1NC2=NN=CCN2c2ncccc21 MOL10698
-CCOC1Oc2ccccc2-c2nc(C)c(C#N)cc21 MOL10699
-COC(=O)c1cc2cnc1CSCc1cnc(c(C(=O)OC)c1)CSC2 MOL10700
-Cc1ncc(CO)c2c1[OH+][Mn+]134([OH+]c5c(C)ncc(CO)c5C=[N+]1[N-]C(N)=[S+]3)[S+]=C(N)[N-][N+]4=C2 MOL10701
-Cc1ncc(CO)c2c1[OH+][Fe-3]13([OH+]S(=O)(=O)[OH+]1)[S+]=C(N)[N-][N+]3=C2 MOL10702
-CC(=O)[OH+][Zn-2]12[OH+]c3c(C)ncc(CO)c3C=[N+]1[N-]C(N)=[S+]2 MOL10703
-CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O MOL10704
-CC1=[N+]2[N-]C(c3ccncc3)=[O+][Fe-4]234([OH+]S(=O)(=O)[O-])[O+]=C(c2ccncc2)[N-][N+]3=C(C)c2cccc1[n+]24 MOL10705
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O MOL10706
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C MOL10707
-C=C1CCCC2C1(C)CCC(C)C2(C)Cc1cc(O)ccc1O MOL10708
-C=C1CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C=CC1=O MOL10709
-C[n+]1c(-c2ccc(C=NNC(=O)c3ccc(C(=O)NN=Cc4ccc(-c5cn6ccccc6[n+]5C)cc4)nc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1 MOL10710
-Cl.Nc1ccc2oc(=O)ccc2c1 MOL10711
-Cl.NCCSSCCN MOL10712
-Cc1cc(=O)n2c3c(c4c(cc13)c(CO)cc(=O)n4C)OC2 MOL10713
-CC1CC(C)C2=NOS3=C2C1=NO3 MOL10714
-CC1(C)CC2=NOS3=C2C(=NO3)C1c1ccccn1 MOL10715
-CON1C(=O)C(c2cccs2)=C2SCC=C21 MOL10716
-CC(=O)Nc1ccc2cc(-c3ccc(Cl)cc3)c3nnnn3c2n1 MOL10717
-CC1=CC2(C)C=C(C)C3(OC(c4ccccc4)=C(C#N)C3=N2)C1=O MOL10718
-CN1C2=CC=CC=CC2=[N+](C)C1[C-](C#N)C#N MOL10719
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N=[N+]=[N-])C(OC)C(C)O1 MOL10720
-N=c1[nH]nc(-c2ccccc2S)o1 MOL10721
-O=C(NCCSSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO)C(Cc1ccc(O)c(Br)c1)=NO MOL10722
-O=C1NC(=O)c2c1c1cnn(-c3ccccc3)c1n1cccc21 MOL10723
-CN(C)CCN1C(=O)c2c(c3cccn3c3c2cnn3-c2ccccc2)C1=O MOL10724
-N#Cc1cc2cccn2c2c1cnn2-c1ccccc1 MOL10725
-OC1CN2CCC(O)C2C(O)C1O MOL10726
-C=CCSSC=CCS(=O)CC=C MOL10727
-Cc1c(NC(=O)CCl)c(=O)oc2c(C)c3occc(=O)c3cc12 MOL10728
-Cc1c(NC(=O)CCCl)c(=O)oc2c(C)c3occc(=O)c3cc12 MOL10729
-O=C(CCl)N1CCN(c2ccccc2)CC1 MOL10730
-O=C(CCl)N1CCN(c2ccccn2)CC1 MOL10731
-CC(C)(Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 MOL10732
-O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 MOL10733
-O=C(CCn1ccnc1)N1CCN(c2ccccc2)CC1 MOL10734
-O=c1oc2ccccc2cc1-n1nnc2cc([N+](=O)[O-])ccc21 MOL10735
-O=c1oc2ccc(Br)cc2cc1-n1nnc2cc([N+](=O)[O-])ccc21 MOL10736
-CCN(CC)c1ccc2cc(-n3nnc4ccccc43)c(=O)oc2c1 MOL10737
-Cc1c([N+](=O)[O-])c(=O)oc2cc3occc(=O)c3cc12 MOL10738
-Cc1c([N+](=O)[O-])c(=O)oc2c1ccc1occc(=O)c12 MOL10739
-Cc1c([N+](=O)[O-])c(=O)oc2ccc3c(=O)ccoc3c12 MOL10740
-Cc1c([N+](=O)[O-])c(=O)oc2c(C)c3occc(=O)c3cc12 MOL10741
-Cc1c(N)c(=O)oc2cc3occc(=O)c3cc12 MOL10742
-Cc1c2oc(=O)cc(-c3ccccc3)c2cc2c(=O)ccoc12 MOL10743
-Cc1c(C)c2ccc3occc(=O)c3c2oc1=O MOL10744
-O=c1ccc2ccc3occc(=O)c3c2o1 MOL10745
-O=C1Oc2ccccc2CC1C(=O)c1ccc(Cl)cc1 MOL10746
-O=C1Oc2ccccc2CC1C(=O)c1ccc([N+](=O)[O-])cc1 MOL10747
-COc1cccc2c1OC(=O)C(S(=O)(=O)c1ccccc1)C2 MOL10748
-COc1ccc2c(c1)OC(=O)C(S(=O)(=O)c1ccccc1)C2 MOL10749
-COc1cc(OC)c2c(c1)OC(=O)C(C(C)=O)C2 MOL10750
-CN(C)C1=CC(=O)c2ccccc2C12CO2 MOL10751
-CCOc1c(Cc2ccccc2)c(=O)nc2c(-c3ccccc3)cncn12 MOL10752
-COC1C(O)C(n2ccc(=O)[nH]c2=O)OC1C(OC1OC(C(=O)NC2CCCCNC2=O)=CC(O)C1O)C(N)=O MOL10753
-CC(=O)OCC1OC(OC(C)=O)C(NC(=O)CI)C(OC(C)=O)C1OC(C)=O MOL10754
-Nc1ncc2c(ncn2CCO)n1 MOL10755
-Nc1ncc2c(ncn2CC(O)CO)n1 MOL10756
-Nc1ncnc2c1ncn2C1OC(COP(=O)(O)CP(=O)(O)O)C(O)C1O MOL10757
-CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(OC)C1=O MOL10758
-CSc1nc(NC(=O)c2ccccc2Cl)n[nH]1 MOL10759
-CSc1nc(NC(=O)c2ccccc2Br)n[nH]1 MOL10760
-CSc1nc(NC(=O)c2ccc(Cl)cc2)n[nH]1 MOL10761
-CSc1nc(NC(=O)c2cccc(C(F)(F)F)c2)n[nH]1 MOL10762
-CSc1nc(NC(=O)c2ccccc2CS)n[nH]1 MOL10763
-CSc1nc(=N)n(C(=O)c2ccccc2Br)[nH]1 MOL10764
-CSc1nc(=N)n(C(=O)c2ccc([N+](=O)[O-])cc2)[nH]1 MOL10765
-CSC1=[S+][Zn-2]2([OH+]C(C)=O)[OH+]c3c(C)ncc(CO)c3C=[N+]2[N-]1 MOL10766
-CSC(=S)NN=Cc1nccc2ccccc12 MOL10767
-CSC1=[S+][Ni-4]234([S+]=C(SC)[N-][N+]2=Cc2c5ccccc5cc[n+]23)[N+](=Cc2cc3ccccc3c[n+]24)[N-]1.[Cl-] MOL10768
-Nc1nc(O)c2ncn(C3C=CC(CO)C3)c2n1 MOL10769
-CCC(=NNC(=N)N)C(CC)=NNC(=N)N.O=S(=O)(O)O MOL10770
-CCCC(=NNC(=N)N)C(C)=NNC(=N)N.O=S(=O)(O)O MOL10771
-CCCC(=NNC(=N)N)C(CCC)=NNC(=N)N.O=S(=O)(O)O MOL10772
-COCC(C=NNC(=N)N)=NNC(=N)N.O=S(=O)(O)O MOL10773
-CCOCC(C=NNC(=N)N)=NNC(=N)N.O=S(=O)(O)O MOL10774
-CCCC(C=NNC(=N)N)=NNC(=N)N.O=S(=O)(O)O MOL10775
-CCC(=NNC(=N)N)C(C)=NNC(=N)N.O=S(=O)(O)O MOL10776
-[O-][N+]1=Cc2ccc(O)cc2[OH+][Cu-3]12[OH+]c1cc(O)ccc1C=[N+]2[O-] MOL10777
-CCOC(=O)CN(Cn1cncn1)Cn1cncn1 MOL10778
-N#Cc1c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)c(Cl)c2)nn(CC(=O)O)c1=O MOL10779
-O=C(Nc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 MOL10780
-O=C(Nc1ccn(C2CC(I)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 MOL10781
-O=C(Nc1ccn(C2CCC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 MOL10782
-O=C(Nc1ccn(C2CCC(CO)O2)c(=O)n1)c1ccccc1 MOL10783
-CC12CC3CC(C)(C1)CC(N=[N+]=[N-])(C3)C2 MOL10784
-[N-]=[N+]=NC12CC3C4CC5CC3C(C1)C(C5)C4C2 MOL10785
-[N-]=[N+]=NC12CC3CC4C5CC(CC41)CC2C5C3 MOL10786
-[N-]=[N+]=NC1C2CC3C4CC5CC3C1C(C5)C4C2 MOL10787
-CC12CC3CC(C1)CC(N=[N+]=[N-])(C3)C2 MOL10788
-[N-]=[N+]=NC12CC3CC(CC(C3)C1)C2 MOL10789
-[N-]=[N+]=NC1C2CC3CC(C2)CC1C3 MOL10790
-O=C1[OH+][Cu-3]23[O+]=C4C(=[O+][Cu-3]56[OH+]C(=O)C(=O)[NH+]5CCC[NH+]46)[NH+]2CCC[NH+]3C1=O.[Na+] MOL10791
-c1ccc(-c2ccccn2)nc1 MOL10792
-O=C(O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O MOL10793
-Oc1cccc2cccnc12 MOL10794
-CCCCCCCC(=O)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 MOL10795
-CCCCCCCC(=O)c1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 MOL10796
-CCCCS(=O)(=O)c1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 MOL10797
-CCCCCCCCS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 MOL10798
-CCCCCCCCCCCCCCCC1=NCCN1C MOL10799
-CCCCCCCCCCCCCC1=NCC(C)(C)N1 MOL10800
-CCCCCCCCCCCC1CNC(CCCCC2=NC(CCCCCCCCCCC)CN2)=N1 MOL10801
-CCCCCCCCCCCCCCCc1nc(C)c[nH]1 MOL10802
-CCCCCCCCCn1ccnc1NCCCCCCNc1nccn1CCCCCCCCC MOL10803
-CCCCCCCn1ccnc1NCCCCCCCCCCNc1nccn1CCCCCCC MOL10804
-CCCCCCCC(=O)c1ccc(O)c(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1 MOL10805
-Cc1nc(-[n+]2nc(-c3ccncc3)nn2-c2ccccc2)sc1C.[Br-] MOL10806
-CN1CC(=O)NC2C(=CN(Cc3ccccc3)c3ccccc32)C1=O MOL10807
-CN1C(=O)c2cnc3ccccc3c2C1(O)c1ccccc1 MOL10808
-CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C MOL10809
-CN1C(C(=O)Nc2nccs2)=C(O)c2ccccc2S1(=O)=O MOL10810
-COc1cncn2nc(C)nc12 MOL10811
-Nc1ccc2c3c(cccc13)C(=O)N(CCCBr)C2=O MOL10812
-CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[Mn+2]1(Oc3c(cc(C(C)(C)C)cc3C(C)(C)C)C(=O)[OH+]1)[OH+]C2=O MOL10813
-NCCCCC(NC(=O)C(CO)NC(=O)C(CO)NC(=O)CN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(N)=O MOL10814
-CCCCCCCCCCCCCC(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(N)=O MOL10815
-CCCCCCCCCCCCCC(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(N)=O MOL10816
-CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CN)C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(N)=O MOL10817
-CCCCCCCCCCCCCC(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(N)=O)C(C)C MOL10818
-CCCCCCCCCCCCCC(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O MOL10819
-O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 MOL10820
-ON=Cc1cc(I)cc(I)c1O MOL10821
-CCCCCCCCSC(=O)n1cc(F)c(=O)[nH]c1=O MOL10822
-Oc1nnnc2c1cnn2C1CCCO1 MOL10823
-CC(=O)OC1COC(OC2CC3(C)C4CC=C5C(C=C(O)CC5(C)C)C4(C)CCC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)C(OC(C)=O)C1O MOL10824
-O=C1OC2C(O)COC2(O)C1(O)Cc1cc(O)c(O)c(Br)c1Br MOL10825
-COC1(Cc2cc(O)c(O)c(Br)c2Br)C(=O)OC2C(O)COC21O MOL10826
-CC(C)=CCCC(C)=CCc1cc(O)c(Br)cc1O MOL10827
-CCCCCCC=CCCCCCCCCCc1cc(O)cc(OC)c1O MOL10828
-COc1cc(O)c(C=NO)c(OC)c1 MOL10829
-CN(C)c1ccc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)cc1 MOL10830
-NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ncccc23)cc1 MOL10831
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ncccc34)cc2)n1 MOL10832
-O=[N+]([O-])c1cccc2c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3nc12 MOL10833
-Cn1c2ccc([N+](=O)[O-])cc2c(=O)c2c(O)cc(O)cc21 MOL10834
-Nc1ncnc2c1ncn2C1CCC(COP(=O)(O)O)O1.[LiH] MOL10835
-COc1ccc(N2C(=O)C3CSCN3C2=O)cc1 MOL10836
-Cc1cc2nc(=O)cc(CCl)n2c(=O)n1C(=O)C(O)C(O)C(O)CO MOL10837
-CCOC(=O)C(=NOC)C(O)C(F)(F)F MOL10838
-NC1CSc2ccccc2NC1=O MOL10839
-N#CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O MOL10840
-CCOC(=O)CN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O MOL10841
-CCCCOC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O MOL10842
-CC1=C(C(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 MOL10843
-CC(=O)OCC1OC(Nc2nc(O)nc(O)c2N=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL10844
-CC(=O)OCC1OC(Nc2[nH]c(=O)n(C)c(=O)c2N=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL10845
-CCCCCCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O MOL10846
-OC(CBr)C(O)C(O)C(O)CBr MOL10847
-CC1=CP(=O)(c2ccccc2)CC1 MOL10848
-CCCCOP(=O)(OCCCC)c1ccccc1 MOL10849
-CC1=C(C)CP(=O)(c2ccccc2)C1 MOL10850
-CC[P+](C)(Cc1ccccc1)c1ccccc1.[I-] MOL10851
-C[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.[Br-] MOL10852
-C=CCP(c1ccccc1)c1ccccc1 MOL10853
-C=CCP(=O)(c1ccccc1)c1ccccc1 MOL10854
-COc1ccc(OC)c(CCCC(=O)O)c1 MOL10855
-CC=CCP(=O)(c1ccccc1)c1ccccc1 MOL10856
-CC(C)(C)C1CCP(=O)(c2ccccc2)CC1 MOL10857
-O=P1(c2ccccc2)CCCCC1 MOL10858
-CC1=C[P+](Cc2ccccc2)(c2ccccc2)CC1.[Br-] MOL10859
-CC1=C[P+](Cc2ccccc2)(c2ccccc2)CC1.[I-] MOL10860
-Cc1cc(C)[n+]([O-])c(C)c1 MOL10861
-Cc1ccc(S(=O)(=O)OC(F)(F)C(F)(F)F)cc1 MOL10862
-CC(C)(C)C1CCC(O)(c2ccccc2)CC1 MOL10863
-CC[P+](CC)(c1ccccc1)c1ccccc1.[I-] MOL10864
-CC1(C)C2CCC1(CS(=O)O)C(=O)C2.[Ag] MOL10865
-CC1COC(C)(C)P(c2ccccc2)C1 MOL10866
-CC1COC(C)(C)P(=O)(c2ccccc2)C1 MOL10867
-COc1ccc(C)cc1C1CCC(=O)O1 MOL10868
-O=C(O)CCC(=O)Oc1ccc(O)c2c1CCCC2=O MOL10869
-O=C1CCCc2c(O)ccc(O)c21 MOL10870
-CC1CC[P+](Cc2ccccc2)(c2ccccc2)C1.[Br-] MOL10871
-CC1CC[P+](C)(c2ccccc2)C1.[Br-] MOL10872
-C[P+]1(Cc2ccccc2)CCCC1.[Br-] MOL10873
-IC[P+]1(c2ccccc2)CCCC1.[I-] MOL10874
-CCOC(=O)CC(C)P(c1ccccc1)C(C)CC(=O)OCC MOL10875
-CC(C)(C)C1CCC(O)(c2ccccc2)CC1.CC(C)(C)C1CCC(O)(c2ccccc2)CC1 MOL10876
-CC1CC[P+](C)(Cc2ccccc2)C1.CC1CC[P+](C)(Cc2ccccc2)C1.[Br-].[Br-] MOL10877
-CC1CCP(=O)(c2ccccc2)C1 MOL10878
-CC1=CCP(=O)(c2ccccc2)C1.CC1=CP(=O)(c2ccccc2)CC1 MOL10879
-CC1=CC[P+](Cc2ccccc2)(c2ccccc2)C1.[Br-] MOL10880
-CCOC(=O)CC(C)CCO MOL10881
-C[N+](C)(C)CCNP(=O)(Oc1ccccc1)c1ccccc1.[I-] MOL10882
-COC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1 MOL10883
-COC(=O)c1oc([N+](=O)[O-])c(Cl)c1Cl MOL10884
-COc1ccc(C23OCN(c4ccccc4)C2(c2ccc(OC)cc2)c2ccccc2N3C)cc1 MOL10885
-CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O MOL10886
-C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(n2ccc(=N)[nH]c2=O)O1 MOL10887
-O=c1n(-c2ccccc2)c(=O)n2n1C1CC3c4ccccc4C1C2C31CC1 MOL10888
-O=C1CN2C=CC=CC2=NN1 MOL10889
-Cl.O=C1CN2Cc3cc(N4CCOCC4)ccc3NC2=N1 MOL10890
-CN(C)CCSc1cc(-c2ccccc2)c2ccccc2n1.Cl MOL10891
-O=C1c2ccccc2SCC2CCCN12 MOL10892
-C=C1C(OC(=O)C(C)C)C(O)C(=O)C(C)(C)C=CC(C)C(=O)C2(O)CC(C)C(OC(=O)CC)C2C1OC(=O)c1ccccc1 MOL10893
-COc1ccc(C(OCC2OC(N3CN4C(=NC3=O)N(C(=O)C(C)C)C(OC(=O)C(C)C)C4OC(=O)C(C)C)CC2OP(OC)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 MOL10894
-NC1CN(C(COCc2ccccc2)c2ccc(OCc3ccccc3)cc2)C1=O MOL10895
-COP(=O)(CCC1OCCO1)OC MOL10896
-CC(=O)N(c1ccccc1)[Si](C)(C)C MOL10897
-CCOC(=O)CC(C)(O)C1CCCN1 MOL10898
-COC(=O)C1CCCN1 MOL10899
-COP(=O)(CC(=O)CCCCCOC1CCCCO1)OC MOL10900
-CCCCCC1CCCC2C1CCC(CCCCCO)N2C(=O)OCC(Cl)(Cl)Cl MOL10901
-CCCCCC1CCCC2C1CCC(CCCCCI)N2C(=O)OCC(Cl)(Cl)Cl MOL10902
-CCCCCC1CC=CC(NC(=O)OCc2ccccc2)C1C=CC(=O)CCCCCOC(=O)c1ccc(Br)cc1 MOL10903
-O=[PH](O)c1cc2ccccc2c2ccccc12.[NaH] MOL10904
-COC1CCC(=O)N1CCC=C(Br)[Si](C)(C)C MOL10905
-C[Si](C)(C=C(Br)CCOC1CCCCO1)c1ccccc1 MOL10906
-Cc1ccc(S(=O)(=O)OCCC(=C[Si](C)(C)C)c2ccccc2)cc1 MOL10907
-C[Si](C)(C)C=CCN1C(=O)CCC1O MOL10908
-CCCN1CCC=C([Si](C)(C)C)C1 MOL10909
-CC=C(CCCCN1C(=O)CCC1O)[Si](C)(C)C MOL10910
-C=CCCCN1C(=O)CCCC1=O MOL10911
-C[Si](C)(C)C(Br)=CCCN1C(=O)CCC1=O MOL10912
-C=CCCCN1C(=O)CCC1=O MOL10913
-C[Si](C)(C)C(Br)=CCCN1C(=O)CCC1O MOL10914
-CC=C(CCO)[Si](C)(C)C MOL10915
-CCCCCCC1C=CCCN1 MOL10916
-CC=C(CCCCOC1CCCCO1)[Si](C)(C)C MOL10917
-COc1ccc(NCCC=C[Si](C)(C)C)cc1 MOL10918
-ClCCCCOC1CCCCO1 MOL10919
-C=C(CCCCOCOCCOC)[Si](C)(C)C MOL10920
-CC(=O)OCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)O MOL10921
-C(=CC1CCCOC1)CCc1ccccc1 MOL10922
-COCCOCOC(C)(C)C(CCOC(C)=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C MOL10923
-CC1(C)OCCC1[Si](C)(C)C MOL10924
-CC1(C)OC(=O)C(CC(=O)O)O1 MOL10925
-C[Si](C)(C)C(I)=CCO MOL10926
-C=C(CCCCOCOCCOC)c1ccccc1 MOL10927
-C=CCCCCOCOCCOC MOL10928
-CCC1(C(=O)OC)C=CCN2C(=O)OC(C)(C)C21 MOL10929
-COc1ccc(C=O)c(NC(=O)C(C)C)c1 MOL10930
-CCC12CCCN3CCC4(C(=Nc5cc(OC)ccc54)CC1)C32 MOL10931
-CCN(CC)[Se]c1ccccc1 MOL10932
-CC1OC(=O)N2CCCC(=C3SCCCS3)C12 MOL10933
-CC1OC(=O)N(CCCC=C2SCCCS2)C1=O MOL10934
-CC1OC(=O)N2CCC=CC12 MOL10935
-c1ccc(NCn2cnc3ccccc32)cc1 MOL10936
-C#CC(CCCC)OC(=O)NC(C)c1ccccc1 MOL10937
-C#CC(CCCC)OC(=O)NC(C)c1ccccc1 MOL10938
-CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)c(O)c2)c(O)c(O)c1-c1ccc(O)cc1 MOL10939
-CCCCCCC=CCCCCCCCCCc1cccc(OC)c1O MOL10940
-CCCCCCC=CCCCCCCCCC(=O)c1cccc(OC)c1OC MOL10941
-Cc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O MOL10942
-C=CC=CNC(=O)OCc1ccccc1 MOL10943
-CC=C(CC)C(C#N)O[Si](C)(C)C MOL10944
-CC=CC(C#N)O[Si](C)(C)C MOL10945
-COC(=O)C1=CC(NC(=O)OCc2ccccc2)C(C(=O)c2ccccc2)CC1Sc1ccccc1 MOL10946
-O=C(NC1C=CCC2C(=O)N(c3ccccc3)C(=O)C12)OCc1ccccc1 MOL10947
-O=CC1CCC=CC1NC(=O)OCc1ccccc1 MOL10948
-COC(=O)C(C=CC(=O)OC(C)(C)C)=CSc1ccccc1 MOL10949
-N#CC(=CSc1ccccc1)C(=O)O MOL10950
-CCOC(=O)CC(Sc1ccccc1)Sc1ccccc1 MOL10951
-CCOC=C(C#N)C(=O)OC MOL10952
-COC(=O)C(C#N)=CSc1ccccc1 MOL10953
-N#CC(C#N)=CSc1ccccc1 MOL10954
-COC(=O)C(C=O)=CSc1ccccc1 MOL10955
-O=C(NC=CC=CSc1ccccc1)OCc1ccccc1 MOL10956
-CCOC(=O)C(C#N)=CSc1ccccc1 MOL10957
-CCCCCC1CC=CC(NC(=O)OCc2ccccc2)C1C=CCCCC1OCCO1 MOL10958
-CCCCCC1CCCC2C1CCC(CCC=CC(=O)OC)N2C(=O)OC(C)C(Cl)(Cl)Cl MOL10959
-CCCCCC1CC=CC(NC(=O)OCc2ccccc2)C1C=CC(=O)OCCCC1OCCO1 MOL10960
-CCCCCC1CCCC2NC(CCCCC3OCCO3)CCC12 MOL10961
-CCCCCC1CCCC2N=C(CCCCC3OCCO3)CCC12 MOL10962
-CC=C(CCC1NCCC2c3ccccc3NC12)[Si](C)(C)C MOL10963
-CC=C(CCC1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C MOL10964
-CC=C(CCC1NCCc2c1[nH]c1ccccc21)[Si](C)(C)C MOL10965
-O=C1CCCC(=O)N1CCc1c[nH]c2ccccc12 MOL10966
-CC(=O)C1CCN(Cc2ccccc2)C1 MOL10967
-CC(=O)C1CCN(c2ccccc2)C1 MOL10968
-CNC(C)C#N MOL10969
-CC(C#N)NCc1ccccc1 MOL10970
-CC(=O)CNC(=O)OC(C)(C)C MOL10971
-O=S(=O)(c1ccccc1)N1C2CCCC21 MOL10972
-C[Si](C)(C)OC1CCCC1N MOL10973
-O=C(NC1CCCC1OC(=O)c1ccccc1)c1ccccc1 MOL10974
-O=C(NC1CCCC1=O)c1ccccc1 MOL10975
-CC(C)(C)OC(=O)NC1CCCC1O MOL10976
-CC(C)(C)OC(=O)NC1CCCC1=O MOL10977
-O=S(=O)(NC1CCCC1O)c1ccccc1 MOL10978
-COC(OC)c1cc2c(cc1C=O)OCO2 MOL10979
-COC=Cc1cc2c(cc1C(OC)OC)OCO2 MOL10980
-COC(C(O)c1ccc2c(c1)OCO2)P(=O)(c1ccccc1)c1ccccc1 MOL10981
-C[Si](C)(C)OC1CCCC1NCC#N MOL10982
-COC(OC)c1cc2c(cc1C(=O)C13CCCC1NC(=O)O3)OCO2 MOL10983
-C=C(c1ccccc1)C1(O)CCC1N(CC#N)Cc1ccccc1 MOL10984
-CC[Si](CC)(CC)OC(C#N)c1ccc2c(c1)OCO2 MOL10985
-COC=Cc1ccc2c(c1)OCO2 MOL10986
-COC=C(Br)c1ccc2c(c1)OCO2 MOL10987
-CCOC(=O)C(C)(NC(=O)c1ccc(NCc2ccc3nc(NC(=O)c4ccccc4)nc(NC(=O)c4ccccc4)c3c2)cc1)C(=O)OCC MOL10988
-O=C1CC(=O)N2C(=O)CC(=O)N12 MOL10989
-CC1(C)C(=O)N2C(=O)CC(=O)N2C1=O MOL10990
-CN1NC(c2ccccc2)=C(C#N)C(=O)CC1c1cccs1 MOL10991
-CN1NC(c2ccccc2)=C(C#N)C(=O)CC1c1ccccc1 MOL10992
-C=CCNC(=Nc1cccc(C(=O)O)c1)S[Au].[NaH] MOL10993
-N[Ru-4](N)(N)(N)(N)[I-].[I-] MOL10994
-Cc1noc2c1CC(=O)c1ccccc1OC2 MOL10995
-CCCCCCCCCCCCCC(=O)CBr MOL10996
-CC(=O)Nc1n[n+]([O-])c2cc(C)ccc2[n+]1[O-] MOL10997
-Nc1nnc2ccc(Cl)cc2[n+]1[O-] MOL10998
-Cc1cc[n+]2c(c1)-c1cc(C)cc[n+]1CC2.[Br-] MOL10999
-CC(C)(C)c1cc[n+](C[n+]2ccc(C(C)(C)C)cc2)cc1.[I-] MOL11000
-[O-][n+]1nc(N2CCOCC2)nc2ccccc21 MOL11001
-Nc1n[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] MOL11002
-C=CCOc1ccc(N)c([N+](=O)[O-])c1 MOL11003
-Cc1cc2nc(N)n[n+]([O-])c2cc1C MOL11004
-Cl.Nc1nccc2c1ncn2C1C=C(CO)C(O)C1O MOL11005
-NC(=O)c1csc(C2OC(COP(=O)(O)CP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)n1 MOL11006
-CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(N=[N+]=[N-])cc2)C1c1ccccc1C(F)(F)F MOL11007
-COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)CCCCCNc1ccc(N=[N+]=[N-])cc1[N+](=O)[O-])CC2 MOL11008
-COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(=O)c1ccc(N=[N+]=[N-])cc1)CC2 MOL11009
-NC(=O)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(CS)C(=O)NCC(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL11010
-COc1cc(C2OC(=O)C3C(c4ccc(O)c(OC)c4)OC(=O)C23)ccc1O MOL11011
-COc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OC MOL11012
-Cc1c2c(cc3c1C(=O)C(=O)C1=C3OCC1C)C(C)(C)CCC2 MOL11013
-CC(C)=CCc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O MOL11014
-COc1ccc2c(=O)oc3c(OC)cc(CCN(C)C)c4c(=O)oc1c2c34.Cl MOL11015
-COC(=O)C1(COCc2ccccc2)CCCC2OC21 MOL11016
-NC(C(=O)O)C(O)C(=O)O MOL11017
-O=c1c2ccccc2c(=O)n2n1P(Cl)CP2Cl MOL11018
-NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl MOL11019
-CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.[NaH] MOL11020
-CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1 MOL11021
-COC(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F MOL11022
-CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC(c1ccccc1)(C(C)(C)C)N2 MOL11023
-CCCCCCCCCCC#CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O MOL11024
-CSc1ccc(C=C2CNCC(=Cc3ccc(SC)cc3)C2=O)cc1.Cl MOL11025
-COC1(OC)C=NN=C2NC=CN21 MOL11026
-CCCCCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O MOL11027
-CCC1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.Cl MOL11028
-CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)ncn2)c1 MOL11029
-CN(C)CCSc1ccc(-c2ccc(-c3ccc(SCCN(C)C)cc3)nn2)cc1 MOL11030
-CN(C)CCNCc1ccc(-c2cccc(-c3ccc(CNCCN(C)C)cc3)n2)cc1 MOL11031
-CN(C)CCSc1cccc(-c2cc(-c3cccc(SCCN(C)C)c3)nc(SCCN(C)C)n2)c1 MOL11032
-Cc1cnc(SCCN(C)C)nc1-c1ccc(-c2nc(SCCN(C)C)ncc2C)s1 MOL11033
-CN(C)CCSc1cccc(-c2cc(-c3cccs3)nc(SCCN(C)C)n2)c1 MOL11034
-CN(C)CCNc1nc(-c2cccs2)cc(-c2cccs2)n1 MOL11035
-Cc1cnc(SCCN(C)C)nc1-c1cccs1 MOL11036
-Cc1cnc(SCCN2CCN(C)CC2)nc1-c1cc2ccccc2s1 MOL11037
-CN(C)CCSc1nccc(-c2cc3ccccc3s2)n1 MOL11038
-CN1CCN(CCSc2nccc(-c3cc4ccccc4s3)n2)CC1 MOL11039
-CN(C)CCSc1nnc(-c2cccs2)c2ccccc12 MOL11040
-CN(C)CCSc1nc(-c2cccs2)c2ccccc2n1 MOL11041
-CN1CCN(CCSc2nnc(-c3ccc4ccccc4c3)c3ccccc23)CC1 MOL11042
-CN1CCN(CCSc2nnc(-c3cc4ccccc4s3)c3ccccc23)CC1 MOL11043
-CCCCCCCCCCCCC(Br)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.[NaH] MOL11044
-Nc1nc(O)c2ncn(C3CCC(CO)O3)c2n1 MOL11045
-N.[N-]=[N+]=[N+]=C1CC(n2ccc(=N)[nH]c2=O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O MOL11046
-COc1cc(C=C2Cc3ccccc3C2=O)ccc1O MOL11047
-O=C1C=CSc2ccccc2N1 MOL11048
-COC1=Nc2ccccc2S(=O)(=O)C=C1 MOL11049
-OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 MOL11050
-CS(=O)(=O)c1nc(NCCc2ccccc2)c2cnn(C3CCCCO3)c2n1 MOL11051
-[O-][n+]1cn[n+]([O-])c2ccccc21 MOL11052
-[Cl-].c1ccc(-c2cc[n+]3c4c2ccc2c(-c5ccccc5)cc[n+](c24)[Rh-4]324([n+]3ccc(-c5ccccc5)c5ccc6c(-c7ccccc7)cc[n+]2c6c53)[n+]2ccc(-c3ccccc3)c3ccc5c(-c6ccccc6)cc[n+]4c5c32)cc1 MOL11053
-O=c1oc(-c2ccccc2)cn1-c1ccccc1 MOL11054
-C=C1N2C(CO)C(c3ccccc3)OC2(C)CCC1(C)Cc1ccccc1 MOL11055
-CC(O)C(NC(=O)C(CCCN)NC(=O)C(CC(O)CNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCN)C(=O)NC(CC(O)CNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL11056
-CC(O)C(NC(=O)C(CCCN)NC(=O)C(CC(O)CNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCN)C(=O)NC(CC(O)CNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O.CC(O)C(NC(=O)C(CCCN)NC(=O)C(CC(O)CNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCCN)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL11057
-COC1=C(OC)C(=O)C2=C(OCCCO2)C1=O MOL11058
-C1CN(C2=[S+][Cu-3]3([S+]=C(N4CCOCC4)[SH+]3)[SH+]2)CCO1 MOL11059
-CN1CCN(C2=[S+][Cu-3]3([S+]=C(N4CCN(C)CC4)[SH+]3)[SH+]2)CC1 MOL11060
-C[N+](C)(C)CCOP(=O)(O)OP(O)(=[OH+])OCC1CCC(n2ccc(=N)[nH]c2=O)O1.[LiH] MOL11061
-N=c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.[LiH] MOL11062
-COc1ccc2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1 MOL11063
-COc1ccc2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1 MOL11064
-O=C1C(=Cc2cccc(O)c2)COc2ccccc21 MOL11065
-COc1ccc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)c(OC)c1.COc1ccc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)c(OC)c1 MOL11066
-COc1cccc(C2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1 MOL11067
-COc1cccc(C2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)c1OC MOL11068
-COc1ccccc1C1c2cc3c(cc2OC(O)(CO)C1C(=O)O)OCO3.COc1ccccc1C1c2cc3c(cc2OC2(O)COC(=O)C12)OCO3 MOL11069
-CC(C)(C)c1cc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)cc(C(C)(C)C)c1O MOL11070
-COc1ccc(C2c3cc4c(cc3OC(O)(CO)C2C(=O)O)OCO4)c(OC)c1OC.COc1ccc(C2c3cc4c(cc3OC3(O)COC(=O)C23)OCO4)c(OC)c1OC MOL11071
-Cc1nc2c(N)c3nc(C)n(N)c(=O)c3cc2c(=O)n1N MOL11072
-C=CCOC(=O)N(C)CC(OC(=O)C(C)(C)C)C1(c2ccc3c(c2)OCO3)C=CC(=O)C=C1 MOL11073
-CCC(=O)C(C)C(=O)C(=O)NCCNC(=O)C(=O)C(C)C(=O)CC MOL11074
-Nc1nc(O)c2c(n1)NCC(COP(=O)(O)OP(=O)(O)O)=N2 MOL11075
-CC1(C)C(=O)C(C(Cl)(Cl)Cl)=C(Cl)C(=O)C1(Cl)Cl MOL11076
-Cc1oc2c(c(=O)c1C)CN(Cc1ccccc1)CC2 MOL11077
-Cc1csc2nc(-c3ccccc3)c(C=NNC(=O)CN(C)C)n12 MOL11078
-Cc1cc(C)c(S(=O)(=O)ONC(=O)OC(C)(C)C)c(C)c1 MOL11079
-N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO MOL11080
-[Br-].c1ccc(C[n+]2ccc3c(c2)CCCC3)cc1 MOL11081
-CCOC(=O)c1cncc(C#N)c1 MOL11082
-C=C1CCC(=O)NC1=O MOL11083
-O=c1n(-c2ccccc2)c(=O)n2n1C1C3C4CCC1C4(Cl)C32 MOL11084
-O=C1C2CCc3cnn(-c4ccccc4)c3C2C(=O)N1c1ccccc1 MOL11085
-O=[N+]([O-])c1cc(C=NNS(=O)(=O)c2ccc(F)cc2)c(O)c([N+](=O)[O-])c1 MOL11086
-O=[N+]([O-])c1cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c(O)c([N+](=O)[O-])c1 MOL11087
-O=[N+]([O-])c1cccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1O MOL11088
-COc1ccc(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])cc(I)c2O)c(OC)c1OC MOL11089
-O=[N+]([O-])c1cccc(S(=O)(=O)NN=Cc2cc(I)cc([N+](=O)[O-])c2O)c1 MOL11090
-O=[N+]([O-])c1cc(I)cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)c1O MOL11091
-O=[N+]([O-])c1cc(I)cc(C=NNS(=O)(=O)c2ccc(F)cc2)c1O MOL11092
-CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2cc(I)cc([N+](=O)[O-])c2O)cc1 MOL11093
-COc1ccc(S(=O)(=O)NN=Cc2cc(I)cc([N+](=O)[O-])c2O)cc1OC MOL11094
-NC(CC(=O)O)C(=O)O MOL11095
-NC(CCC(=O)O)C(=O)O MOL11096
-NS(=O)(=O)c1ccc(Nc2c3ccc(Cl)cc3nc3ncccc23)cc1 MOL11097
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4ncccc34)cc2)n1 MOL11098
-NS(=O)(=O)c1ccc(NC(=O)c2cccnc2Nc2cccc(Cl)c2)cc1 MOL11099
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3Nc3cccc(Cl)c3)cc2)n1 MOL11100
-O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1Nc1cccc(Cl)c1 MOL11101
-NCCNc1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12 MOL11102
-CC(=O)Nc1cccc2[nH]c3ccccc3c(=O)c12 MOL11103
-Cl.Cn1c2ccccc2c(=O)c2c([N+](=O)[O-])ccc(NCCN)c21 MOL11104
-CCSc1ccc([N+](=O)[O-])c2c(SCC)c3ccccc3nc12 MOL11105
-CC12CCNC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)COc3ccc(N(CCCl)CCCl)cc3)CCC12 MOL11106
-CC12CCC3C(CCC4CC(O)CCC43C)C1CCC(=O)N2 MOL11107
-CC12CCC3C(CCC4CC(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CCC43C)C1CCC(=O)N2 MOL11108
-CC12CCC3C(CCC4=CC(=O)NCC43C)C1CCC(=O)N2 MOL11109
-CC12CCC3C(CCC4CC(OC(=O)C=Cc5ccc(N(CCCl)CCCl)cc5)CCC43C)C1CCC(=O)N2 MOL11110
-CC12CCC3C(CCC4CC(OC(=O)C=Cc5cccc(N(CCCl)CCCl)c5)CCC43C)C1CCC(=O)N2 MOL11111
-CC12CCC3C(CCC4CC(OC(=O)C=Cc5ccccc5N(CCCl)CCCl)CCC43C)C1CCC(=O)N2 MOL11112
-CC(=O)OC1CC2CCCC2C2C(=O)OC(=O)C12 MOL11113
-OCc1cc2c(cc1CO)OCC2 MOL11114
-N=c1ccn(C2CSC(CO)O2)c(=O)[nH]1 MOL11115
-N#CC(=C1OC(=N)C(c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1Cl MOL11116
-Cc1c(Cl)ccc2[s+]snc12.[Cl-] MOL11117
-O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1Cc1ccccc1 MOL11118
-CC1CC(C)C(O)C(C(O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)C1 MOL11119
-CN1C(=O)CC(CC(=O)C2CCCCC2=O)CC1=O MOL11120
-CC1CCCC(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O MOL11121
-CC1CCC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 MOL11122
-CC1CC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C(C)C1 MOL11123
-CC(C)(C)C1CCC(=O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 MOL11124
-CC1CCCc2c(CC3CC(=O)NC(=O)C3)n[nH]c21 MOL11125
-CC1CC(C)C(=O)C(C(=O)CC2CC(=O)NC2=O)C1 MOL11126
-CCOC(=O)C(CCC(N)=O)(CCC(=O)OC)C(=O)OCC MOL11127
-N=C1N=C(c2cc(Cl)ccc2O)CC(c2ccccc2)N1 MOL11128
-Nc1c(-c2nc3ccccc3s2)[n+]([O-])c2ccccc2[n+]1[O-] MOL11129
-Nc1c(C(=O)Nc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] MOL11130
-Cl[Tb](Cl)Cl MOL11131
-Oc1ccccc1C1=N[N+]2=Cc3cccc[n+]3[Ni-4]234([OH+]1)[OH+]C(c1ccccc1O)=N[N+]3=Cc1cccc[n+]14 MOL11132
-Oc1ccccc1C1=N[N+]2=Cc3cccc[n+]3[Cu-5]234([OH+]1)[OH+]C(c1ccccc1O)=N[N+]3=Cc1cccc[n+]14 MOL11133
-Nc1c(-c2ccc(Cl)cc2Cl)[n+]([O-])c2ccccc2[n+]1[O-] MOL11134
-COc1ccc2c(c1)[n+]([O-])c(-c1ccc([N+](=O)[O-])cc1)c(N)[n+]2[O-] MOL11135
-COc1ccc2c(c1)[n+](=O)[c-](S(=O)(=O)c1ccc(C)cc1)[c-](N)[n+]2=O MOL11136
-Cn1c2ccccc2c(=Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21 MOL11137
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(C)c4ccccc34)cc2)n1 MOL11138
-Cc1noc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(C)c4ccccc34)cc2)c1C MOL11139
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(-c4ccccc4)c4ccccc34)cc2)n1 MOL11140
-N=C(N)NS(=O)(=O)c1ccc(N=c2c3ccccc3n(-c3ccccc3)c3ccccc23)cc1 MOL11141
-Cc1noc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(-c4ccccc4)c4ccccc34)cc2)c1C MOL11142
-Cc1cc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(-c4ccccc4)c4ccccc34)cc2)no1 MOL11143
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(Cc4ccccc4)c4ccccc34)cc2)n1 MOL11144
-N=C(N)NS(=O)(=O)c1ccc(N=c2c3ccccc3n(Cc3ccccc3)c3ccccc23)cc1 MOL11145
-Cc1noc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(Cc4ccccc4)c4ccccc34)cc2)c1C MOL11146
-Cc1cc(NS(=O)(=O)c2ccc(N=c3c4ccccc4n(Cc4ccccc4)c4ccccc34)cc2)no1 MOL11147
-COc1cc(N=Nc2ccccc2)cc(C=NNC(N)=S)c1O MOL11148
-CN(C)CC1CCCC1=O.Cl MOL11149
-NCCCCNc1ccc2c(O)nnc(O)c2c1 MOL11150
-NC(=O)c1c[se]c(C2OC(COP(=O)(O)CP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)n1 MOL11151
-c1ccc2sc(NN(Nc3nc4ccccc4s3)C3=[S+][Ir-4]45([S+]=C(N(Nc6nc7ccccc7s6)Nc6nc7ccccc7s6)[SH+]4)([S+]=C(N(Nc4nc6ccccc6s4)Nc4nc6ccccc6s4)[SH+]5)[SH+]3)nc2c1 MOL11152
-CC(C)CC(NC(=O)CN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C)C(N)=O MOL11153
-CC(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CN)C(N)=O MOL11154
-CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(N)=O MOL11155
-CC(C)CC(NC(=O)C(NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CN)C(C)C)C(=O)NC(CO)C(N)=O MOL11156
-COC(=O)N1C2Cc3c(OC)c(C)c(OC)c(OC)c3C1C(=Cc1cc(OC)c(OC)c(C)c1OC)N(Cc1ccccc1)C2=O MOL11157
-[C-]#[N+]C1C2C(CCC1(C)O)C(C)([N+]#[C-])CCC2C1(C)CCC(C(C)(C)[N+]#[C-])O1 MOL11158
-COC(=O)C1=C(c2ccc3c(c2)OCO3)OC(c2ccc3c(c2)OCO3)C1 MOL11159
-COC(=O)C1=C(O)c2cc(OC)c(OC)c(OC)c2C(c2ccc3c(c2)OCO3)C1C(=O)OC MOL11160
-C1=CC(N(c2ccccc2)C2C=CCCC2)CCC1 MOL11161
-Cc1ccc(O)c(N=Nc2ccc(S(=O)(=O)O)cc2)n1.[NaH] MOL11162
-O=C1c2sccc2C(NC(=O)C(F)(F)F)C1Cl MOL11163
-Cl.NC1c2ccsc2C(=O)C1O MOL11164
-O=S1CSCS1 MOL11165
-C=C1CCC(C)(c2ccc(C)cc2)C1C MOL11166
-CC(CC(=O)N(C)C(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl MOL11167
-CC(CC(=O)NC(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)(Cl)Cl MOL11168
-Cl.N=c1[nH]cc(C2C(CNC(=O)c3cc(Br)c[nH]3)C(CNC(=O)c3cc(Br)c[nH]3)C2c2c[nH]c(=N)[nH]2)[nH]1 MOL11169
-O=C(CCCl)Nc1c(Cl)cccc1Cl MOL11170
-Nc1ccccc1C(=O)CCc1ccccc1C(=O)O MOL11171
-CCN(CC)c1ccc2cc(S(=O)(=O)c3ccccc3)c(=O)oc2c1 MOL11172
-Clc1cc(I)c2c3c1ccc[n+]3[Ga-3]13([OH+]2)([OH+]c2c(I)cc(Cl)c4ccc[n+]1c24)[OH+]c1c(I)cc(Cl)c2ccc[n+]3c12 MOL11173
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(O)=[OH+])cc(S(=O)(O)=[OH+])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(O)=[OH+])cc(S(=O)(O)=[OH+])c45)ccc3C)c2)c1.[GaH3] MOL11174
-Cc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(O)=[OH+])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S(=O)(=O)[O-])cc(S(=O)(O)=[OH+])c(N)c2c1O.[GaH3] MOL11175
-Cc1cc(NC(=O)Nc2ccc(N=Nc3cc(S(=O)(O)=[OH+])c4cccc(S(=O)(O)=[OH+])c4c3)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2cccc(S(=O)(O)=[OH+])c2c1.[GaH3] MOL11176
-CC(C)([S-])C1N[Ga-]2(NC(C(C)(C)[S-])C(=O)[OH+]2)[OH+]C1=O MOL11177
-O=C1CP([O-])([O-])=[O+][Ga-3]23([O+]=P([O-])([O-])CC(=O)[OH+]2)([O+]=P([O-])([O-])CC(=O)[OH+]3)[OH+]1 MOL11178
-CC1=C(O)C(=O)c2cn(C)cc2C1=O MOL11179
-CC(=O)OC(C)(C)C1CCC2(C)C=CC(C)CC(O)C=C(C)CC(O)C12 MOL11180
-CC1C=CC2(C)CCC(C(C)(C)O)C2C(O)CC(C)(O)C=CC1 MOL11181
-CC(=O)OC1CC(C)(O)C=CCC(C)C=CC2(C)CCC(C(C)(C)O)C12 MOL11182
-CC(=CC=CC(C)C)C1CCC(C)(NC=O)CC1 MOL11183
-CC(CCC(C)C(C)(C)C)C1CCC2C3CC(O)C4CC(O)C(O)CC4(C)C3CCC12C MOL11184
-CC1(C(=O)O)CCCC2(C)C1CCC1(C)c3cocc3CCC12 MOL11185
-CC1=CC2Cc3ccoc3C(C)(C)C2CC1 MOL11186
-C=CC1(C)CCC2C(C)(CCC(Br)C2(C)C)O1 MOL11187
-CC1(C)CCCC2(C)c3occc3CCC12 MOL11188
-CC1CCC2(O)C(CCCC2(C)C)C1(C)CCc1ccoc1 MOL11189
-C=C1CCC(C)(c2ccc(CO)cc2)C1C MOL11190
-CCn1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3 MOL11191
-Br.CN(C)CCSc1nccc(-c2ccc(-c3ccnc(SCCN(C)C)n3)s2)n1 MOL11192
-CCc1cccc(C(C)C)c1C1C(=O)C(=O)N(c2nc3ccccc3s2)C(=O)C1=O MOL11193
-CC(C)=CC(=O)Cc1nc2cc(C)c(C)cc2nc1O MOL11194
-CC(C)=CC(=O)c1c(C(=O)O)nc2ccccc2[n+]1[O-] MOL11195
-Cc1[nH]c2ccccc2c1C(=O)CC1(O)C(=O)Nc2ccccc21 MOL11196
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Cl)cc1 MOL11197
-Cc1cc(=O)n(-c2ccccc2)c(=O)o1 MOL11198
-N#CC(C(=O)C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 MOL11199
-O=C(CC1(O)C(=O)Nc2ccccc21)c1ccncc1 MOL11200
-O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1 MOL11201
-CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccccc21 MOL11202
-Cc1ccc2nc(O)c(C(C#N)c3ccccc3)nc2c1 MOL11203
-N#CC(C(=O)C(=O)C(C#N)c1ccc(Br)cc1)c1ccc(Br)cc1 MOL11204
-N#CC(C(=O)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 MOL11205
-N#CNc1nc(N)c(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 MOL11206
-CC1=C(c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nc(NC#N)n2)Sc2ccccc2N1 MOL11207
-CCCCCCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)nc(N)n1 MOL11208
-Cc1ccccc1-c1c(N)nc(NC#N)nc1C(=O)Nc1ccccc1 MOL11209
-CC1=C(c2cc(C(=O)Nc3cccc(Cl)c3)nc(NC#N)n2)Sc2ccccc2N1 MOL11210
-O=C(O)C(Cl)=C(Cl)C(=O)Nc1ccccc1 MOL11211
-O=C1C(Cl)=C(Cl)C(=O)N1c1cccc(C(F)(F)F)c1 MOL11212
-Cc1cccc(N2C(=O)C(Cl)=C(Cl)C2=O)c1 MOL11213
-Cc1c(Cl)cccc1N1C(=O)C(Cl)=C(Cl)C1=O MOL11214
-CCOC(=O)C1=C(C)Nc2ccccc2S1 MOL11215
-Cc1c(Cl)cccc1NC(=O)C(Cl)=C(Cl)C(=O)O MOL11216
-Cc1nc2ccccc2c(=O)n1N=C(N=Nc1cc(Cl)ccc1Cl)c1ccc(N(C)C)cc1 MOL11217
-Cc1ncc2c(n1)CCC1=C2OS(=O)(=O)CC1N(C)C MOL11218
-COc1cc(OC)c(C(=O)CC(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1OC MOL11219
-Cc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 MOL11220
-O=C(O)C(Cl)=C(Cl)Nc1cccc(C(F)(F)F)c1 MOL11221
-O=C(O)C(Cl)=C(Cl)C(=O)Nc1ccc(Cl)c(Cl)c1Cl MOL11222
-O=C(O)C(Cl)=C(Cl)C(=O)Nc1ccc(Cl)cc1Cl MOL11223
-O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(Cl)c(Cl)c1Cl MOL11224
-Cc1ccc(NC(=O)C(Cl)=C(Cl)C(=O)O)cc1 MOL11225
-Cc1cc(Cl)ccc1NC(=O)C(Cl)=C(Cl)C(=O)O MOL11226
-Cc1cccc(C)c1NC(=O)C(Cl)=C(Cl)C(=O)O MOL11227
-O=C(O)C(Cl)=C(Cl)C(=O)Nc1cccc(Cl)c1 MOL11228
-O=C1C(Cl)=C(Cl)C(=O)N1c1ccccc1Cl MOL11229
-O=C(O)C(Cl)=C(Cl)C(=O)Nc1cc(Cl)ccc1Cl MOL11230
-O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)cc1 MOL11231
-N#CCc1ccc(C(C#N)C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=NNC(N)=S)cc1 MOL11232
-Cc1ccc(-c2c(N)nc(NC#N)nc2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 MOL11233
-O=C(CCc1cc(-c2ccccc2)[nH]n1)Nc1ccccc1[N+](=O)[O-] MOL11234
-COC(=O)NN=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)C(C#N)c1ccc(CC#N)cc1 MOL11235
-CCCC(=O)C(CC)C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL11236
-N#CC(C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1c(O)ccc2ccccc12)c1nc2ccccc2s1 MOL11237
-COc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(=O)NN)cc1 MOL11238
-CCCc1nn(C)c(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC MOL11239
-Cc1ccc(C)c(NC(=O)CCC(=NNC(=O)C(=O)NN)C(C)C(=O)c2ccc(O)cc2)c1 MOL11240
-CCC(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=NNC(=O)C(N)=O MOL11241
-COc1cc(-c2n[nH]cc2CCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1O MOL11242
-CC(C)(C)C(CC(=O)CCC(=O)Nc1ccc(Cl)cc1)=NNC(N)=S MOL11243
-O=C1C(Cl)=C(Cl)C(=O)N1C1C2CC3CC(C2)CC1C3 MOL11244
-O=C1C(Cl)=C(Cl)C(=O)N1c1c(F)c(F)c(F)c(F)c1F MOL11245
-O=[N+]([O-])Cc1cnc2nncn2n1 MOL11246
-O=C(O)C(Cl)=C(Cl)C(=O)NC1C2CC3CC(C2)CC1C3 MOL11247
-COC(=O)C(=O)C(C#N)c1cccc2ccccc12 MOL11248
-Cc1ccc(NC(=O)C(=O)C2C(=N)NN(c3ccccc3)C2=O)cc1C MOL11249
-N#CC(C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 MOL11250
-O=C(CC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 MOL11251
-CCCCN(CCCC)C(=O)C(=O)CC(=O)c1ccc(Br)cc1 MOL11252
-O=C(CC(=O)c1cccc2ccccc12)C(=O)NC1C2CC3CC(C2)CC1C3 MOL11253
-O=C(CCC(=O)C(C(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 MOL11254
-O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(Cl)cc1 MOL11255
-Cc1cc(Cl)ccc1NC(=O)CCCC(=O)C(C(=O)c1ccccc1)c1ccccc1 MOL11256
-CC(C)(C)c1n[nH]cc1CCC(=O)Nc1ccc(Cl)cc1Cl MOL11257
-Cc1ccc(NC(=O)CCc2cc(C(C)(C)C)nc(NC#N)n2)cc1C MOL11258
-NNC(=O)C(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 MOL11259
-CCc1cc(CCC(=O)Nc2c(C)cccc2C)nc(NC#N)n1 MOL11260
-O=C(CCCC(CC(=O)c1ccc(Cl)cc1)=NNC(=O)c1cc2ccccc2cc1O)Nc1cccc([N+](=O)[O-])c1 MOL11261
-CC(C)(C)c1cc(CCC(=O)Nc2ccccc2[N+](=O)[O-])cc(NC#N)n1 MOL11262
-CCCc1onc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC MOL11263
-COc1ccc(NC(=O)CCC(CC(=O)c2ccco2)=NNC(N)=S)cc1 MOL11264
-O=C(CCc1cc(-c2ccccc2)nc(S)n1)N(Cc1ccccc1)Cc1ccccc1 MOL11265
-O=C(CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 MOL11266
-COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2C)=NNC(=O)C(N)=O)ccc1O MOL11267
-C[N+](C)(C)CC(=O)NN=C(CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1.[Cl-] MOL11268
-O=C(O)c1cc(Cc2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O MOL11269
-O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O MOL11270
-CC(C)N1CCOC(c2ccc(O)c(O)c2)C1.Cl MOL11271
-Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 MOL11272
-COc1cc(C=Cc2cc(O)cc(C3OC(CO)C(O)C(O)C3O)c2)ccc1O MOL11273
-COc1cc(C=Cc2ccc(OC)c(OC)c2)cc(OC)c1 MOL11274
-COc1cc(C=Cc2ccc(OC)c(OC)c2)cc(OC2OC(CO)C(O)C(O)C2O)c1 MOL11275
-CCCCOC(=O)Oc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2 MOL11276
-CCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(=O)CCC MOL11277
-Cl.N=c1ccn(C2OC(C(O)CO)C(O)C2O)c(=O)[nH]1 MOL11278
-CC1OC(C2(C)OC(C3(C)OC=CC3=O)CC2=O)CC1=O MOL11279
-O=C1CCC(=O)C(C(=O)CCC(=O)Nc2ccc(Cl)cc2)C1 MOL11280
-CCCN(CCC)C(=O)C(=O)c1c(N)[nH]n(-c2ccccc2)c1=O MOL11281
-Cc1ccc(NC(=O)CCC(=O)C(C#N)c2ccccc2)cc1C MOL11282
-CCCCC(C(=O)C(=O)Nc1ccccc1CC)C(=O)C(C)C MOL11283
-N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccccc1 MOL11284
-N#CC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL11285
-CC(=O)CC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 MOL11286
-N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 MOL11287
-O=C(C=Cc1ccccc1)CC(=O)CCC(=O)Nc1ccc(Cl)cc1 MOL11288
-CCc1ccccc1NC(=O)C(=O)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 MOL11289
-O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)c1ccc2ccccc2c1 MOL11290
-CC(=O)CC(=O)CCCC(=O)Nc1ccc(Cl)cc1C MOL11291
-Cc1cc(Cl)ccc1NC(=O)CCCC(=O)C1CCCC1=O MOL11292
-CN(C)C(=S)NC(=S)Nc1ccc2ccccc2c1 MOL11293
-CN(C)c1nc(=Nc2ccc3ccccc3c2)ss1.Cl MOL11294
-COC(=O)c1sc(=NC(=S)N2CCCCC2)sc1C(=O)OC MOL11295
-CN(C)C(=S)N=c1ssc(=NS(=O)(=O)c2ccccc2)n1N(C)C MOL11296
-CN(c1ccccc1)c1nc(N2CCCC2)s[s+]1.[O-][Cl+3]([O-])([O-])O MOL11297
-CN=c1ssc(=NC(=S)N(C)C)n1C1CCCCC1 MOL11298
-CCOC(=O)CCc1c(C)c2c(OC)cc(OC)cc2oc1=O MOL11299
-NC(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 MOL11300
-CN(C)NC(=S)NC12CC3CC(CC(C3)C1)C2 MOL11301
-CCOC(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 MOL11302
-S=C(NN=Cc1ccco1)NC12CC3CC(CC(C3)C1)C2 MOL11303
-CC(C)=NNC(=S)NC12CC3CC(CC(C3)C1)C2 MOL11304
-S=C(NN=Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 MOL11305
-CN(C)NC(=O)NC12CC3CC(CC(C3)C1)C2 MOL11306
-N#Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11307
-O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1CCl MOL11308
-O=C(O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11309
-CCCN(CCC)C(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11310
-CC(C)OC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11311
-CN(C)C(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11312
-NC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11313
-CCCNC(=O)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11314
-CC(=O)Oc1ccc2c(=O)c(C(C)=O)coc2c1 MOL11315
-CCCCCCCCCCCc1noc2c1C(=O)C(O)CC2 MOL11316
-Cc1noc2cccc(O)c12 MOL11317
-CCCCCCCCCCCC(=O)C1=C(O)CCC(O)C1=O MOL11318
-CCCCCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O MOL11319
-CCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O MOL11320
-NC(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] MOL11321
-Br.N=c1nc(Nc2ccccc2)ss1 MOL11322
-CN=C(N=c1ssc(=NC)n1C)N(C)C.[O-][Cl+3]([O-])([O-])O MOL11323
-CN=C(NC)N(C)c1nc(N(C)C)s[s+]1.[O-][Cl+3]([O-])([O-])O MOL11324
-CN(C)c1c([O-])c(=[N+](C)C)c1=O MOL11325
-CN=C(SC)N(C)c1nc(N(C)C)s[s+]1.[O-][Cl+3]([O-])([O-])O MOL11326
-CN=c1ssc(=NC(SC)=[N+](C)C)n1C.[O-][Cl+3]([O-])([O-])O MOL11327
-CN(C)c1nc(N2CCOCC2)[s+]s1.[Br-] MOL11328
-CCSc1nc(N2CCCC2)s[s+]1.[O-][Cl+3]([O-])([O-])O MOL11329
-CN(C)C(=Nc1nc(N(C)C)s[s+]1)N(C)C.[Br-] MOL11330
-CN(C)c1nc(N(C)C)sc(=O)n1 MOL11331
-CN=c1ssc(=NC(=S)N(C)C)n1C MOL11332
-S=c1nc(N2CCCCC2)ss1 MOL11333
-CNC(=NC(=S)N(C)C)N(C)C MOL11334
-CSC(=S)N(C)c1nc(N(C)C)s[s+]1.O=S(=O)([O-])F MOL11335
-CCOC(=O)N=c1nc(N(C)C)ss1 MOL11336
-Cc1nsc(=NC(=S)N(C)C)n1C MOL11337
-CN(C)C(=O)NC(=S)N(C)C MOL11338
-CN(C)C(=S)N=c1ssc(=S)n1C MOL11339
-CN(C)C(=N)NC(=S)N(C)C MOL11340
-CN(C)c1nc(=Nc2nnc[nH]2)ss1 MOL11341
-CN(C)C(=NO)C(=NO)N(C)C MOL11342
-CC(=O)ON=C(Cl)C(Cl)=NOC(C)=O MOL11343
-C=C1C(C(=O)O)C1C(=O)O MOL11344
-[N-]=[N+]=NC1CC(CO)OC1n1cnc2c(N)ncnc21 MOL11345
-C1CCN(c2nsc(N3CCCCC3)n2)CC1 MOL11346
-C1CCN(c2nc(N3CCCCC3)[s+]s2)CC1.[Br-] MOL11347
-CN(C)c1nc(N(C)CCc2ccccn2)[s+]s1.I.[I-] MOL11348
-CN(C)C(=S)N=c1ssc(=NS(=O)(=O)c2ccccc2)n1C MOL11349
-CN(C)c1nc(N(C)Cc2ccccc2)[s+]s1.[Cl-] MOL11350
-CN=c1ssc(=NC(=S)N(C)C)n1-c1ccccc1 MOL11351
-CCCCn1c(=NC(=S)N(C)C)ssc1=NC(=S)N(C)C MOL11352
-CN(C)C(=S)N=c1ssc(=Nc2ccccc2)n1C MOL11353
-N=C(NC(=S)N1CCCCC1)N1CCCCC1 MOL11354
-[O-][Cl+3]([O-])([O-])O.c1ccc(N=c2nc(N3CCOCC3)ss2)cc1 MOL11355
-O=[N+]([O-])O.c1c(N2CCOCC2)s[s+]c1N1CCOCC1 MOL11356
-CN(C)c1nc(N(C)C2CCCCC2)[s+]s1.[I-] MOL11357
-CN(C)C(=S)N=c1ssc(=S)n1-c1ccccc1 MOL11358
-CN(C)c1nc(N(C)c2ccccc2)[s+]s1.[I-] MOL11359
-O=c1nc(N2CCCC2)nc(N2CCCC2)s1 MOL11360
-CN(C)C1=NC2=S(SC(Nc3ccccc3)=N2)S1 MOL11361
-CCOC(=O)NC(=N)SCc1ccccc1.Cl MOL11362
-Br.CN(C)c1nc(=Nc2ccc3c(c2)OCO3)ss1 MOL11363
-CN(C)C(=S)Nc1nnc(Nc2ccccc2)s1 MOL11364
-CN(C)C(=S)N=c1ssc(=S)n1C1CCCCC1 MOL11365
-Br.CCOC(CN=c1nc(N(C)C)ss1)OCC MOL11366
-Br.CN(C)c1nc(=Nc2cccc(Cl)c2)ss1 MOL11367
-CC1=CC(=C2N=C(N(C)C)SS2)C(C)=N1.[O-][Cl+3]([O-])([O-])O MOL11368
-CN(C)C(=S)N=c1ssc(=S)n1Cc1ccco1 MOL11369
-CN(C)C(=S)N=c1sn(C)c(=NC(=S)N(C)C)n1C MOL11370
-CNC(=S)NC(=S)N(C)C MOL11371
-CNC(=S)NC(=N)N(C)C MOL11372
-CN(C)C(=N)NC(N)=S MOL11373
-CN(C)C(=S)SSC(=S)N(C)C MOL11374
-COc1ccc(OC)c(C(C)=NNC(N)=S)c1 MOL11375
-C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=O.[I-] MOL11376
-COc1nc(NC2OC(CO)C(O)C2O)cc(=O)n1C MOL11377
-Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 MOL11378
-Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O MOL11379
-O=C1C=CC(=O)c2c(O)cccc21 MOL11380
-COC1=CC2(c3ccccc3)C(=CC1=O)CCN2C(=O)c1ccccc1 MOL11381
-O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(F)cc1 MOL11382
-O=C(CO)CC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 MOL11383
-O=C(CCC(=O)Nc1cccc(Cl)c1)CC(=O)c1ccc(Cl)cc1 MOL11384
-N=C1NN(c2ccccc2)C(=O)C1C(=O)C(N)=O MOL11385
-O=C(CCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc(F)cc1 MOL11386
-COc1ccc(C(=O)C(C(=O)C(=O)NCCCNC(=O)C(=O)C(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 MOL11387
-N#CC(C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 MOL11388
-CC(=O)CC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl MOL11389
-CCCCN(CCCC)C(=O)C(=O)C(C)C(=O)CC MOL11390
-O=C1c2ccccc2C(=O)C12CCc1ccccc12 MOL11391
-N=c1ccn(C2OC(COP(=O)(O)O)C(O)OC2O)c(=O)[nH]1.O=CO MOL11392
-OCC1OC(Nc2cccc3c(O)ncnc23)C(O)C1O.[NaH] MOL11393
-CC(C)(C)NC(=NO)c1ccccc1 MOL11394
-N#Cc1snc2sc(=O)sc12 MOL11395
-CC(=O)NNC(=N)c1nc2c(n3nc(C)nc13)CCCC2 MOL11396
-CN1C(=O)C(=NN(c2ccccc2)c2ccccc2)c2ccccc21 MOL11397
-O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1ccc(Cl)cc1 MOL11398
-Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O MOL11399
-CCc1cccc(C)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O MOL11400
-CCOC(=O)C1=C(Nc2ccccc2)SCC1=O MOL11401
-CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)OCC1=O MOL11402
-CCOC(=O)C1=C(NC(C)(C)C)OCC1=O MOL11403
-Cc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1C MOL11404
-COc1ccc(NC(=O)CC2SC(Nc3ccccc3C)=NC2=O)c([N+](=O)[O-])c1 MOL11405
-CCCCCCCCCCCc1n[nH]c(=N)o1 MOL11406
-CCCCCCCCCCCCCCCCCc1n[nH]c(=N)o1 MOL11407
-O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1 MOL11408
-O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl MOL11409
-CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL11410
-Cc1cccc(C)c1NC(=O)C1=NC(=S)NC(c2ccccc2)C1c1nc2ccccc2s1 MOL11411
-O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(Cl)c1 MOL11412
-Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL11413
-CC(C)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL11414
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NNC(=O)NN)C2=O)c1 MOL11415
-NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL11416
-Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NNC(=O)NN)C1=O MOL11417
-O=C1NC(=O)C(=Nc2cccc3c(O)nnc(O)c23)C(c2nc3ccccc3s2)C1=O MOL11418
-Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=Nc2cccc3c(O)nnc(O)c23)C1=O MOL11419
-Cc1ccc(C)c(N2CC(=NNC(=O)CC#N)C(c3nc4ccccc4s3)C(=O)C2=O)c1 MOL11420
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=NN)C2=O)c1 MOL11421
-O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=Nc2cccc3c(O)nnc(O)c23)C1c1nc2ccccc2o1 MOL11422
-Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O MOL11423
-CC(C)c1cccc2sc(NC(=O)C(=O)C(C#N)c3cccc4ccccc34)nc12 MOL11424
-N#CCC(=O)NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2o1 MOL11425
-CCOC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C MOL11426
-CCOc1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL11427
-CCOC(=O)C1=C(Nc2ccc(Br)cc2)OCC1=O MOL11428
-O=C(Cc1nc2ccccc2s1)C(=O)Nc1cccc(C(F)(F)F)c1 MOL11429
-O=C1NC(=O)C(=O)C(c2nc3ccccc3s2)C1=O MOL11430
-COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc(Cl)cc3)sc2c1 MOL11431
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=O)C2=O)c1 MOL11432
-COC(=O)C1=NC(=S)NC(c2ccccc2)C1c1nc2ccccc2s1 MOL11433
-O=C(Cc1nc2ccccc2o1)C(=O)Nc1ccccc1C(F)(F)F MOL11434
-O=C(Nc1ccccc1-c1nn(C(=S)Nc2ccccc2)c(=S)n(C(=S)Nc2ccccc2)c1=O)C(F)(F)F MOL11435
-CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O MOL11436
-Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2 MOL11437
-Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCC2 MOL11438
-CC(=O)OCc1c2ccccc2c(C)c2c1cc(F)c1ccccc12 MOL11439
-COc1cc2c(cc1OC)C(Cl)C(c1ccc(Cl)c(Cl)c1)=C2Cl MOL11440
-COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2Cl)cc1 MOL11441
-COc1cc2c(cc1OC)C(Cl)C(c1ccc(Br)cc1)=C2Cl MOL11442
-COc1cc2c(cc1OC)C(Cl)C(c1ccc(F)cc1)=C2Cl MOL11443
-COc1cc2c(cc1OC)C(Cl)C(c1cc(OC)c(OC)c(OC)c1)=C2Cl MOL11444
-CCOc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2Cl)cc1 MOL11445
-COc1cc2c(cc1OC)C(Cl)C(c1ccc(Cl)cc1)=C2Cl MOL11446
-O=S(=O)(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1 MOL11447
-O=S(=O)(NN=Cc1c(Cl)cccc1Cl)c1ccccc1 MOL11448
-Cc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1 MOL11449
-Cc1ccc(C=NNS(=O)(=O)c2ccccc2)c(C)c1 MOL11450
-COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1 MOL11451
-CCC(=NNS(=O)(=O)c1ccccc1)c1ccccc1 MOL11452
-CC(=NNS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 MOL11453
-O=S(=O)(NN=Cc1cccc(C=NNS(=O)(=O)c2ccccc2)c1)c1ccccc1 MOL11454
-Cc1cc(C)c(C=NNS(=O)(=O)c2ccccc2)c(C)c1 MOL11455
-COc1cc(=O)cc(Cl)c(Cl)c1Cl MOL11456
-NC(CCSC(F)F)C(=O)O MOL11457
-O=c1c2cccnc2ncn1CCN1CCCCC1 MOL11458
-CN(C)CCn1cnc2ncccc2c1=O MOL11459
-O=c1c2cccnc2ncn1CCN1CCOCC1 MOL11460
-O=c1c2cccnc2ncn1CCN1CCCC1 MOL11461
-CN(C)CCCn1cnc2ncccc2c1=O MOL11462
-CCCCN(CCCC)CCCn1cnc2ncccc2c1=O MOL11463
-O=c1c2cccnc2ncn1CCCN1CCOCC1 MOL11464
-O=c1c2cccnc2ncn1CCCN1CCCC1 MOL11465
-O=c1c2cccnc2ncn1CCCN1CCCCC1 MOL11466
-Cc1ccc(SCC(=CCS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 MOL11467
-CNC(=O)C(C)C1C(=O)C(=C(O)C=CC(C)C)C(=O)N1C1CCC(O)C(C)O1 MOL11468
-CC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C MOL11469
-COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C MOL11470
-O=C(O)c1cc(=O)c2[nH]c3ccccc3c2s1 MOL11471
-O=C(O)c1cc(=O)c2c([nH]c3ccccc32)s1 MOL11472
-Cc1cc(C(O)(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O MOL11473
-Cc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O MOL11474
-CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(S(=O)(=O)O)c2Cl)C=C(C(=O)O)C1=O.[NaH] MOL11475
-CC1=CC(=C(c2cccc(S(=O)(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O.[NaH] MOL11476
-O=C1CCN2CCC(=O)c3cccc1c32 MOL11477
-CCOC(=O)c1cc2c3c(c1)C(=O)C(C)CN3CC(C)C2=O MOL11478
-Cc1cc2c3c(c1)C(=O)CCN3CCC2=O MOL11479
-CC(=O)c1cc2c3c(c1)C(=O)CCN3CCC2=O MOL11480
-CCOC(=O)c1cc2c3c(c1)C(=O)CCN3CCC2=O MOL11481
-Cn1c(=N)n[n+]([O-])c2ccccc21 MOL11482
-Cc1ccc2c(c1)nc(N)n[n+]2[O-] MOL11483
-Cc1ccc2c(c1)[n+]([O-])c(N)n[n+]2[O-] MOL11484
-Cl.Cn1c(=N)n[n+]([O-])c2ccccc21 MOL11485
-CCN(CC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])C(C)=O MOL11486
-CCN(CC(COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])OC(C)=O)C(C)=O MOL11487
-CC(=O)Nc1ccc2nc(N)n[n+]([O-])c2c1 MOL11488
-Nc1ccc2nc(N)n[n+]([O-])c2c1 MOL11489
-O=C(Nc1ccc2nc(O)n[n+]([O-])c2c1)C(F)(F)F MOL11490
-CCNCC(O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-].Cl MOL11491
-Nc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-] MOL11492
-CCNCC(O)c1ccc(N)c([N+](=O)[O-])c1.Cl MOL11493
-CC(=O)Nc1ccc2nncnc2c1 MOL11494
-Cc1cc(=O)c2c(O)cc(O)c(C3CCN(C)CC3O)c2o1 MOL11495
-CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC.[NaH] MOL11496
-CC(NC(=O)C(=O)NN=C1CC(c2ccccc2)Oc2ccccc21)c1ccccc1 MOL11497
-CC(NC(=O)C(=O)NN=C1CC(c2ccccc2)Sc2ccccc21)c1ccccc1 MOL11498
-CNC(=S)NN=C1CC(c2ccccc2)Oc2ccccc21 MOL11499
-CC(=O)OCC1OC(NC(=S)NN=C2CC(c3ccccc3)Oc3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL11500
-NNC(=S)NC1CC(c2ccccc2)Oc2ccccc21 MOL11501
-O=C(NNC(=S)NC1CC(c2ccccc2)Oc2ccccc21)c1ccccc1 MOL11502
-S=C(NN=Cc1ccccc1)NC1CC(c2ccccc2)Oc2ccccc21 MOL11503
-Cn1c(=N)[nH]c2c3ccc(O)nc3ccc21 MOL11504
-COc1ccc(C(c2ccc3cccnc3c2O)c2oc(CO)cc(=O)c2O)cc1 MOL11505
-Cn1c(=O)c2nc3c(nc2n(C)c1=O)oc1ccccc13 MOL11506
-O=C1CCSC2=C1SCc1sccc12 MOL11507
-O=C(O)C1=C(Cl)c2ccccc2S1(=O)=O MOL11508
-Cl.O=C(CSc1ncn[nH]1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-] MOL11509
-Cc1nn(-c2ccccc2)c(-c2ccccc2[N+](=O)[O-])c1CC#N MOL11510
-[N-]=[N+]=NC1=CCCCCC(=O)C1 MOL11511
-COC1=CC(=O)C(Br)=CC1=O MOL11512
-COC(=O)c1ccccc1OCc1cc(=O)oc2ccc(C)cc12 MOL11513
-CCOC(=O)C(C)c1c(C(=O)c2ccc(C)nc2)c2ccccc2n1C MOL11514
-C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=O.[I-] MOL11515
-CC(COc1ccccc1)=NNC(N)=S MOL11516
-CC(CCc1ccccc1)=NNC(N)=S MOL11517
-O=C(C=Cc1ccccc1)C=Cc1ccccc1 MOL11518
-CN1CCC(=O)C(=Cc2ccccc2)C1.Cl MOL11519
-CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)O)Oc1ccccc1)OCCCCCCCCCCCCCCCCCC MOL11520
-CC1OC=CC(=O)C1O MOL11521
-CC(C)(C)C1CCC(C[Se]c2ccccc2)([N+](=O)[O-])CC1 MOL11522
-COC1CCC(O)C(CO)O1 MOL11523
-COC1CCC(OS(C)(=O)=O)C(CO)O1 MOL11524
-COC1CC2(C[Si](C)(C)C)OC(=O)OC2C(C)O1 MOL11525
-CC1(C)OCC(C2OC3OC(C)(C)OC3C2=O)O1 MOL11526
-O=[N+]([O-])C1(C[Se]c2cccc(C(F)(F)F)c2)CCCCC1 MOL11527
-COC1C=CC(O)C(CO)O1 MOL11528
-COC1OC2=CCC3C(=O)N(c4ccccc4)C(=O)C3C2C(OCc2ccccc2)C1OCc1ccccc1 MOL11529
-CC(C)(C)C1CCC(C[Se]c2ccc(Cl)cc2)([N+](=O)[O-])CC1 MOL11530
-COC1OC2=CCC3C(=O)NC(=O)C3C2C(OCc2ccccc2)C1OCc1ccccc1 MOL11531
-COC1CCC=C(C=O)O1 MOL11532
-COC1OC2=CCC3C(=O)NC(=O)C3C2C(OC)C1OC MOL11533
-COC1OC2COC(c3ccccc3)OC2C(OS(=O)(=O)c2ccc(C)cc2)C1OS(=O)(=O)c1ccc(C)cc1 MOL11534
-COC1OC2COC(c3ccccc3)OC2C2OC12 MOL11535
-COC1CC(O)C2OC(c3ccccc3)OCC2O1 MOL11536
-COC1CC(OC)C2OC(c3ccccc3)OCC2O1 MOL11537
-COC1CC(OC)C(O)C(CO)O1 MOL11538
-COC(=O)Sc1c2sc(C(=O)OC)c(C)c2n2ccccc12 MOL11539
-CCOC(=O)c1sc2c(C(=O)OCC)c3ccccn3c2c1C MOL11540
-CCOC(=O)c1c2c(n3ccc(C)cc13)C(=O)C(c1ccc([N+](=O)[O-])cc1)S2 MOL11541
-COC(=O)c1sc2c(SC#N)c3ccccn3c2c1C MOL11542
-CCOC(=O)c1c2c(n3ccccc13)C(=O)C(C)(C(=O)OCC)S2 MOL11543
-CCOC(=O)c1sc2c(C(=O)OCC)c3cc(C)ccn3c2c1N MOL11544
-CCOC(=O)c1sc2c(C(=O)OCC)n3cc(C)cc(C)c3c2c1O MOL11545
-C1CCC(OCc2nnn3c2CCC3)OC1 MOL11546
-CC(=O)OCc1nnn2c1CCC2 MOL11547
-CC(C)NC(=O)OCc1nnn2c1CCC2 MOL11548
-CN1C(=O)OC2CCC=CCCC2C1c1ccccc1 MOL11549
-c1ccc2c(c1)SCCc1nncn1-2 MOL11550
-O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1ccc([N+](=O)[O-])cc1OCCOCCO2 MOL11551
-CC(=O)OC1CCC2OOC1O2 MOL11552
-OC1CCC2OOC1O2 MOL11553
-O=C(OC1CCC2OOC1O2)c1ccc([N+](=O)[O-])cc1 MOL11554
-O=C1CCC2=C1CC1CCCOC1O2 MOL11555
-CCOC12OC3=C(CC1CC1=C(CCC1=O)O2)C(=O)CC3 MOL11556
-CC(=O)OC1=C(CC2CCCC2=O)C(=O)CC1 MOL11557
-COC(=O)c1c(C)oc2ccc(OC(C)=O)cc12 MOL11558
-N#CC1(N2CCCC2)CCC2(CC1)OCCO2 MOL11559
-CN(C)C1(C#N)CCC2(CC1)OCCO2 MOL11560
-C=CCCCC(C#N)(c1ccccc1)N(C)C MOL11561
-C=CCCCC(C#N)(c1ccccc1)N1CCCC1 MOL11562
-ClC1CCC2OOC1O2 MOL11563
-ClC1c2ccccc2C2(c3ccccc3)OOC1(c1ccccc1)O2 MOL11564
-COC(=O)C1C2CC3C(OC(=O)C31)C2I MOL11565
-CCOC(=S)C=Cc1ccccc1 MOL11566
-CCOC(F)(F)C=Cc1ccccc1 MOL11567
-COC(=S)C12CC3CC(CC(C3)C1)C2 MOL11568
-COC(F)(F)C12CC3CC(CC(C3)C1)C2 MOL11569
-CNC1=Nc2ccc(Cl)cc2C2(c3ccccc3)N(C1)OC(=O)N2C.Cl MOL11570
-CN1C(=S)C2=C(c3ccccc3)N(C)C(=S)C2=C1c1ccccc1 MOL11571
-CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)Sc2ccccc2N1 MOL11572
-Cc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL11573
-CC(C)c1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O MOL11574
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=Nc3cccc4c(O)nnc(O)c34)C2=O)c1 MOL11575
-O=C(Cc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1 MOL11576
-CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NN)C1=O MOL11577
-N#CCC(=O)NN=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 MOL11578
-NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1 MOL11579
-O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1 MOL11580
-O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1 MOL11581
-Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NN)C1=O MOL11582
-CCOC(=O)C(=O)Nc1nc2c(OCC)cccc2s1 MOL11583
-COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc([N+](=O)[O-])cc3)sc2c1 MOL11584
-CCOc1cccc2sc(=N)[nH]c12 MOL11585
-O=C(CC(=O)C1CCOC1=O)C(=O)Nc1cccc(Cl)c1 MOL11586
-COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(CC#N)cc3)sc2c1 MOL11587
-Cc1ccc(NC(=O)C(=O)CC(=O)C2CCOC2=O)c(C)c1 MOL11588
-Cc1ccccc1NC(=O)C(=O)CC(=O)C1CCOC1=O MOL11589
-O=C(CC(=O)C1CCOC1=O)C(=O)Nc1ccc(Cl)cc1 MOL11590
-O=C(CC(=O)C1CCOC1=O)C(=O)Nc1ccc(Cl)cc1Cl MOL11591
-CC(C)c1cccc2sc(NC(=O)C(=O)CC(=O)c3ccc(F)cc3)nc12 MOL11592
-CCOC(=O)C1=C(Nc2ccc(NC3=C(C(=O)OCC)C(=O)CS3)cc2)SCC1=O MOL11593
-Cc1ccc(C)c(NC(=O)C(=O)CC(=O)C2CCOC2=O)c1 MOL11594
-O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 MOL11595
-COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)c(Cl)c3)sc2c1 MOL11596
-CCOC(=O)C1=C(Nc2cccc3ccccc23)OCC1=O MOL11597
-NNC(=O)NN=C1CN(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1 MOL11598
-COc1ccc2nc(NC(=O)C(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 MOL11599
-CCOC(=O)C(=O)Nc1nc2ccc(C)cc2s1 MOL11600
-CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=NNC(=S)NN)C1=O MOL11601
-O=C(NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1)c1ccccc1O MOL11602
-CCOC(=O)C(=O)Nc1nc2c(s1)C(=O)c1ccccc1C2=O MOL11603
-CCOc1ccccc1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O MOL11604
-Cc1ccccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O MOL11605
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1 MOL11606
-O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2o1 MOL11607
-Cc1cc(Cl)ccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O MOL11608
-N#CCC(=O)NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL11609
-NNC(=O)NN=C1CNC(=O)C(=O)C1c1nc2ccccc2s1 MOL11610
-CCOC(=O)C1=C(NC)OCC1=O MOL11611
-O=C(NN=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1)c1ccccc1O MOL11612
-NC(=S)NN=C1CN(c2ccc(Cl)c(Cl)c2)CC(=O)C1c1nc2ccccc2s1 MOL11613
-NNC(=O)NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2o1 MOL11614
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4o3)C(=NNC(=O)c3ccccc3O)C2=O)c1 MOL11615
-COC(=O)C(=O)Cc1nc2ccccc2s1 MOL11616
-O=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL11617
-CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O MOL11618
-Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=O)C2=O)c1C MOL11619
-CCOC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 MOL11620
-N#CCC(=O)NN=C1C(=O)NC(=O)C(=O)C1c1nc2ccccc2s1 MOL11621
-CC1CCC2(CC1)NN=c1sc(=Cc3ccc(O)cc3)c(=O)n1N2 MOL11622
-COc1ccc(C=c2sc3n(c2=O)NC2(CCC(C)CC2)NN=3)cc1 MOL11623
-CCC1(C)NN=c2sc(=Cc3ccc(OC)cc3)c(=O)n2N1 MOL11624
-COc1ccc(C=c2sc3n(c2=O)NC(c2ccc(Cl)cc2)NN=3)cc1 MOL11625
-COc1ccc(C=c2sc3n(c2=O)CCN=3)cc1 MOL11626
-COc1ccc(C=c2sc3n(c2=O)NC2(CCCCC2)NN=3)cc1 MOL11627
-CCN(CC)CCNC(=O)C1COc2ccc(-c3cc(=O)c4ccccc4o3)cc2O1 MOL11628
-CCOC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 MOL11629
-O=C(NCc1cccnc1)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 MOL11630
-CN(C)CCNC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1.Cl MOL11631
-CCN(CC)CCCNC(=O)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1.Cl MOL11632
-O=C(NCc1ccncc1)C1COc2cc(-c3cc(=O)c4ccccc4o3)ccc2O1 MOL11633
-Cl.NC1C2CN3CCC(O2)C13 MOL11634
-CN(C(=O)C1CC1)C1C2CN3CCC(O2)C13 MOL11635
-CCCCCCCCC(=O)N(C)C1C2CN3CCC(O2)C13 MOL11636
-CN(C(=O)C=Cc1ccccc1)C1C2CN3CCC(O2)C13 MOL11637
-CC(C)=CC(=O)N(C)C1C2CN3CCC(O2)C13 MOL11638
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc2c1OCO2 MOL11639
-NC(=S)NN=C1C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1C(=O)Nc1cccc([N+](=O)[O-])c1 MOL11640
-NS(=O)(=O)c1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 MOL11641
-CC1=C(C(=O)Nc2ccccc2)C(c2cccc3ccccc23)C(C(=O)Nc2ccccc2)=C(C)N1 MOL11642
-COCCNC(=O)C1C(=O)C(=O)N(CCOC)C1=O MOL11643
-COC(=O)CCC(=O)Nc1ccc(Cl)cc1C MOL11644
-Cc1cccc(C)c1NC(=O)C1C(=O)N(c2c(C)cccc2C)C(=O)C1=NN MOL11645
-O=C(Nc1ccc(Cl)c(Cl)c1)C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=NO MOL11646
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1C=Cc1ccccc1 MOL11647
-NS(=O)(=O)c1ccc(NC(=O)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 MOL11648
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1F MOL11649
-CCOc1ccc(NC(=O)C(=Cc2ccc(C)cc2)C(C)=O)cc1 MOL11650
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccco1 MOL11651
-COCCCNC(=O)C1C(=O)C(=O)N(CCCOC)C1=O MOL11652
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C(C)C)cc1 MOL11653
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1Cl MOL11654
-Cc1cc(Cl)ccc1NC(=O)C1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O MOL11655
-CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)C(N)=C(C#N)C(=O)OCC MOL11656
-CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 MOL11657
-N#Cc1c(N)c(C(=O)O)nn(-c2cccc(C(F)(F)F)c2)c1=O MOL11658
-O=C(Nc1ccc(Cl)cc1)C1C(=O)C(=O)N(c2ccc(Cl)cc2)C1=O MOL11659
-CCOC(=O)CC(N)=C(C#N)C(=O)OCC MOL11660
-CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 MOL11661
-CCC(=O)CC(=O)CCC(=O)Nc1cc(C)ccc1C MOL11662
-Cc1ccc(N=Cc2ccc3c(c2)OCO3)cc1C MOL11663
-Cc1ccc(C)c(NC(=O)CCC(=O)CC(=O)C(C)(C)C)c1 MOL11664
-CCCNC(=O)C1C(=O)C(=O)N(CCC)C1=O MOL11665
-NN=C1C(=O)N(C2CCCCC2)C(=O)C1C(=O)NC1CCCCC1 MOL11666
-Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NN MOL11667
-Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)c(C)c3)C(=O)C2=NNC(N)=O)cc1C MOL11668
-COc1ccc(OC)c(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3cc(OC)ccc3OC)C2c2ccccc2)c1 MOL11669
-CC(=O)C1C(=O)C(=O)N(c2ccccc2C(C)C)C1=O MOL11670
-O=C(NC1CCCCCC1)C1C(=O)N(C2CCCCCC2)C(=O)C1=NO MOL11671
-CC(=O)C1C(=O)C(=O)N(c2ccccc2N2C(=O)C(=O)C(C(C)=O)C2=O)C1=O MOL11672
-Cc1ccccc1NC(=O)C1C(=O)N(c2ccccc2C)C(=O)C1=NN MOL11673
-O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 MOL11674
-NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O MOL11675
-O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 MOL11676
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 MOL11677
-O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2nc(S)nc(O)c2[nH]1)c1ccccc1 MOL11678
-COc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC MOL11679
-O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 MOL11680
-O=C1OC(c2ccccc2)=NC1=CC=Cc1ccco1 MOL11681
-Nc1ccc(C2=NC(=Cc3cccc(N)c3)C(=O)O2)cc1 MOL11682
-CC(=O)NC(=Cc1ccc(C=C(NC(C)=O)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2ccccc2[nH]1 MOL11683
-O=C(NC(=Cc1ccccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 MOL11684
-Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccc(Cl)cc3[nH]2)cc1 MOL11685
-CCCCCCCCCCCCCC(=O)NCC(OCC)OCC MOL11686
-[Cl-].c1cc[n+]2c(c1)-c1cccc[n+]1[Rh-4]213(N=c2c(c4ccccc4c4ccccc24)=N1)N=c1c(c2ccccc2c2ccccc12)=N3 MOL11687
-[Cl-].c1ccc2c(c1)c1c(c3ccccc32)=N[Rh-4]23(N=1)([n+]1cccc4ccc5ccc[n+]2c5c41)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL11688
-COC(=O)c1cc(C(c2cc(C)c(O)c(C(=O)OC)c2)c2cc(C)c(O)c(C(=O)OC)c2)cc(C)c1O MOL11689
-Cc1cc(C(c2cc(C)c(O)c(C(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O MOL11690
-Cl.O=C(O)C1Cc2c([nH]c3ccccc23)C=N1 MOL11691
-COC(=O)C1Cc2c([nH]c3ccccc23)C=N1.Cl MOL11692
-O=C(O)c1cc2c(cn1)[nH]c1ccccc12 MOL11693
-CCOC(=O)C(=CNC(Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)OCC MOL11694
-CC1=NC(C(=O)O)Cc2c1[nH]c1ccccc21 MOL11695
-C=CC1C=Cc2c(OC)cccc2C1COP1(=S)NC(C)C(c2ccccc2)O1 MOL11696
-O=c1ccc2c(cc3ccc4cccc5ccc2c3c45)o1 MOL11697
-CC(C)C1CC=CC2C3C(C)(O)CCC(Br)C3(C)CCC21CBr MOL11698
-O=S(=O)(C=CCS(=O)(=O)c1ccccc1)c1ccccc1 MOL11699
-O=S(=O)(C=CC(=Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 MOL11700
-C=C(C(=C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL11701
-O=S(=O)(C1=CC(S(=O)(=O)c2ccccc2)COC1)c1ccccc1 MOL11702
-COC(=O)C1=CC2OC1(C)CCC2=O MOL11703
-COC1(OC)CCC2(C)OC(c3ccccc3)C1O2 MOL11704
-CC1(C)CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1 MOL11705
-O=S(=O)(C1=CC(S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)C1c1ccccc1)c1ccccc1 MOL11706
-CC1CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1 MOL11707
-O=S(=O)(C1=CC(S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)C1c1cccc2ccccc12)c1ccccc1 MOL11708
-O=S(=O)(c1ccccc1)C1CN2OC1(S(=O)(=O)c1ccccc1)CC2c1ccc(Br)cc1 MOL11709
-O=S(=O)(c1ccccc1)C1CN2OC1(S(=O)(=O)c1ccccc1)CC21CCCCC1 MOL11710
-O=S1(=O)CCN2OCC1C2c1cccc2ccccc12 MOL11711
-C=C1C2Oc3ccccc3C1N(c1ccccc1)O2 MOL11712
-CC(OCc1ccccc1)C1OC2(C)CCC(=O)C1O2 MOL11713
-COC(=O)C1=C(C(=O)OC)C2(C)OC1C(=O)C21CC1 MOL11714
-COC(=O)C1=CC2OC1(C)C1(CC1)C2=O MOL11715
-O=S(=O)(c1ccccc1)C(CN1CCCCC1)S(=O)(=O)c1ccccc1 MOL11716
-CC(=NO)C1CC=C(S(=O)(=O)c2ccccc2)C1 MOL11717
-CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)[N+](=O)[O-] MOL11718
-O=S(=O)(c1ccccc1)C1(C2(S(=O)(=O)c3ccccc3)CCN=N2)CCN=N1 MOL11719
-O=S(=O)(c1ccccc1)C1CN(Cc2ccccc2)CCN(Cc2ccccc2)C1 MOL11720
-C=C(CS(=O)(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-] MOL11721
-CC(=O)COC(=O)CC(C)=O MOL11722
-C=C(C)S(=O)(=O)c1ccccc1 MOL11723
-Cc1ccc(S(=O)(=O)C2CC2(Cl)Cl)cc1 MOL11724
-C=C(CS(=O)(=O)c1ccccc1)C(=O)OCC MOL11725
-C=C(C)CC(OC(=O)C(C)(C)C)c1ccccc1 MOL11726
-CCOC(=O)CC(C)OC1CCCCO1 MOL11727
-CC#CCC(OC(C)=O)c1ccccc1 MOL11728
-CN(C)C1CCC2(CC1)OCCO2 MOL11729
-NC(=S)NN=C1CC(c2ccccc2)Nc2ccccc21 MOL11730
-COC1=CC(=O)c2c(O)c(CO)cc(O)c2C1=O MOL11731
-O=[N+]([O-])c1ccc(Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 MOL11732
-NNC1=Cn2c(nc3ccccc32)NN1 MOL11733
-OCC=Cc1ccc(O)c(O)c1 MOL11734
-Cc1ccc(C=CCO)cc1 MOL11735
-OCC=Cc1ccc(Cl)cc1 MOL11736
-OCC=Cc1cccc(Cl)c1 MOL11737
-O=C(O)CCc1ccc(O)c(O)c1 MOL11738
-C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl MOL11739
-O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2c1O MOL11740
-OCC1OC(n2cnc3c(I)ncnc32)C(O)C1O MOL11741
-CCNC(=O)C(O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C MOL11742
-CCNC(=O)C(O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C MOL11743
-COC(=O)C1CSC(=S)N1C(=O)CC1CC=CCC1CC(=O)Sc1ccccc1 MOL11744
-COC(=O)C1CSC(=S)N1C(=O)CC1CC=CCC1CC(=O)Sc1ccccc1 MOL11745
-c1ccc2c(c1)nc1n2CSC1 MOL11746
-Clc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL11747
-COc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL11748
-CC(=O)OCN(C)c1nc(N(C)COC(C)=O)nc(N(C)COC(C)=O)n1 MOL11749
-O=c1ccc2cc3ccc4cccc5ccc(c2o1)c3c45 MOL11750
-Cc1cc2cc3ccc4cccc5ccc(c2oc1=O)c3c45 MOL11751
-Cc1cc(=O)oc2c1cc1ccc3cccc4ccc2c1c34 MOL11752
-O=c1c(O)c(O)c(=O)c(=O)c1=O.[KH] MOL11753
-O=S1(=O)CC(O)C(O)CS1 MOL11754
-O=S1(=O)CC(O)C(O)CS1 MOL11755
-Cc1ccc(SSCC(O)C(O)CSSc2ccc(C)cc2)cc1 MOL11756
-Cc1ccc(SSCC(O)C(O)CSSc2ccc(C)cc2)cc1 MOL11757
-OCC(O)CSSCC(O)C(O)CSSCC(O)CO MOL11758
-Cc1ccc(S(=O)(=O)OC2CSSCC2OS(=O)(=O)c2ccc(C)cc2)cc1 MOL11759
-Cc1ccc(S(=O)(=O)OC2CSS(=O)CC2OS(=O)(=O)c2ccc(C)cc2)cc1 MOL11760
-Cc1ccc(S(=O)(=O)SCC=CCSS(=O)(=O)c2ccc(C)cc2)cc1 MOL11761
-Cc1ccc(S(=O)(=O)SCC=CCSS(=O)(=O)c2ccc(C)cc2)cc1 MOL11762
-O=S(=O)(O)SCC=CCSS(=O)(=O)O.[NaH] MOL11763
-O=S(=O)(O)SCC=CCSS(=O)(=O)O.[NaH] MOL11764
-O=S1Cc2ccccc2CSS1 MOL11765
-O=S1Cc2ccccc2CS1 MOL11766
-Cc1ccc(S(=O)(=O)SCc2ccccc2CSS(=O)(=O)c2ccc(C)cc2)cc1 MOL11767
-O=S(O)CCCCSSCc1ccccc1CSSCCCCS(=O)O.[NaH] MOL11768
-Cl.NCCCNCCSSCCCCS(=O)O MOL11769
-Cl.NCCSSCC=CCSSCCN MOL11770
-Cl.NCCSSCC=CCSSCCN MOL11771
-Cl.NCCSSCc1ccccc1CSSCCN MOL11772
-Cl.NCCCNCCSSCC=CCSSCCNCCCN MOL11773
-Cl.NCCCNCCSSCC=CCSSCCNCCCN MOL11774
-Cl.NCCCNCCSSCc1ccccc1CSSCCNCCCN MOL11775
-Cc1ccc(S(=O)OC23CC4CC(CC(C4)C2)C3)cc1 MOL11776
-Cc1ccc(S(=O)OCC23CC4CC(CC(C4)C2)C3)cc1 MOL11777
-Cc1ccc(S(=O)OC2C3CC4CC(C3)CC2C4)cc1 MOL11778
-Cc1ccc(S(=O)OC2c3ccccc3Cc3ccccc32)cc1 MOL11779
-Cc1ccc(S(=O)OCc2c(C)c(C)c(COS(=O)c3ccc(C)cc3)c(C)c2C)cc1 MOL11780
-O=C(CSSCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 MOL11781
-O=C(CSSCC(=O)OCCS(=O)(=O)Nc1ccc(Br)cc1)OCCS(=O)(=O)Nc1ccc(Br)cc1 MOL11782
-COc1c(Cl)cc(Cl)cc1S(=O)O.[NaH] MOL11783
-O=S(O)c1cc(Cl)cc(Cl)c1OCc1ccccc1.[NaH] MOL11784
-O=S(OC12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 MOL11785
-COc1c(Cl)cc(S(=O)O)cc1Cl.[NaH] MOL11786
-O=S(O)c1cc(Cl)cc(Cl)c1O MOL11787
-COS(=O)c1cc(Cl)cc(Cl)c1O MOL11788
-COS(=O)c1cc(Cl)cc(Cl)c1OC(=O)CSSCC(=O)Oc1c(Cl)cc(Cl)cc1S(=O)OC MOL11789
-COS(=O)CCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCS(=O)OC MOL11790
-O=S(O)c1cc(Cl)c(O)c(Cl)c1 MOL11791
-COc1c(Cl)cc(S(=O)OC)cc1Cl MOL11792
-Cc1ccc(SSCCCCCS(=O)O)cc1.[NaH] MOL11793
-O=S(O)CCCCCSSc1ccccc1.[NaH] MOL11794
-O=S(O)CCCCCSSSCCCCCS(=O)O.[NaH] MOL11795
-O=S(O)CCCSSSCCCS(=O)O.[NaH] MOL11796
-O=S(O)CCCCCSSc1ccc(Cl)cc1.[NaH] MOL11797
-Cc1ccc(SSCCCS(=O)O)cc1.[NaH] MOL11798
-O=S(O)CCCSSc1ccccc1.[NaH] MOL11799
-O=S(O)CCCSSCCCCSSCCCS(=O)O.[NaH] MOL11800
-O=S(O)CCCCCSSCCCCSSCCCCCS(=O)O.[NaH] MOL11801
-Cc1ccc(SSCCCCS(=O)O)cc1.[NaH] MOL11802
-COc1cc(OC)c(SSCCCCS(=O)O)c(OC)c1.[NaH] MOL11803
-O=S(O)CCCCSSCCCCS(=O)(=O)S.[NaH] MOL11804
-O=S(O)CCCCSSCC(O)C(O)CSSCCCCS(=O)O.[NaH] MOL11805
-O=S(O)CCCCSSCC(O)C(O)CSSCCCCS(=O)O.[NaH] MOL11806
-NC(CCC(=O)NC(CSSCCCCS(=O)O)C(=O)NCC(=O)O)C(=O)O.[NaH] MOL11807
-O=S(O)CCCCSSCCCCSSCCCCS(=O)O.[NaH] MOL11808
-CCCCCCCCCCNCCSSCc1ccc(Cl)cc1.Cl MOL11809
-CCOCc1cc(=O)c2c(OC)cc3c(c2o1)CCC(C)(C)O3 MOL11810
-CCOCc1cc(=O)c2c(O)cc3c(c2o1)CCC(C)(C)O3 MOL11811
-CC1(C)CCc2cc3c(-c4ccccc4)cc(=O)oc3cc2O1 MOL11812
-CC1Oc2c(c(O)cc3oc(=O)cc(-c4ccccc4)c23)C(=O)C1C MOL11813
-CC1(C)CCc2cc3c(cc2O1)OC(C)(C)C1c2c(ccc4c2CCC(C)(C)O4)OC31 MOL11814
-CC1(C)CCc2ccc(OCCC(=O)O)cc2O1 MOL11815
-CC1(C)CCc2cc3c(cc2O1)OC(C)(C)CC3=O MOL11816
-C=CC(C)(C)N1c2ccccc2C2(O)CC3C(=O)N4C=CC(C)(C)c5[nH]c6ccccc6c5C=C4C(=O)N3C12 MOL11817
-O=C1OCC(Cc2ccccc2)N1C(=O)C1NC(=S)OC1Cc1ccc(OCc2ccccc2)cc1 MOL11818
-C=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O MOL11819
-O=C1C=C(C2CCCO2)C(=O)c2c(O)ccc(O)c21 MOL11820
-CC(C1=CC(=O)c2c(O)ccc(O)c2C1=O)C1=CC(=O)c2c(O)ccc(O)c2C1=O MOL11821
-O=C1C=C(C(O)CCO)C(=O)c2c(O)ccc(O)c21 MOL11822
-O=C(Nc1cccc2ccccc12)Oc1ccccc1C1CCCCC1 MOL11823
-O=C(Nc1ccccc1)Oc1ccccc1C1CCCCC1 MOL11824
-Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1 MOL11825
-CC(C)c1cccc(C(C)C)c1NC(=S)Nc1ccccc1 MOL11826
-O=C(Oc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 MOL11827
-O=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1 MOL11828
-Cl.Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL11829
-Cc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])cc1 MOL11830
-COc1ccc(Oc2ccccc2N)cc1.Cl MOL11831
-Cc1ccc(Oc2ccccc2N)cc1.Cl MOL11832
-Cc1ccc(Oc2ccc(C)cc2N)cc1.Cl MOL11833
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1 MOL11834
-Cc1ccc(Sc2ccccc2[N+](=O)[O-])cc1 MOL11835
-COc1ccc(Sc2ccccc2[N+](=O)[O-])cc1 MOL11836
-COc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 MOL11837
-Cl.Nc1ccccc1S(=O)(=O)c1ccccc1 MOL11838
-COc1ccc(Sc2ccccc2N)cc1.Cl MOL11839
-Cl.Nc1ccccc1Sc1ccc(Cl)cc1 MOL11840
-COC1C2(O)C(=O)N3C=CC(C)(C)c4[nH]c5ccccc5c4C=C3C(=O)N2C23C(C)C(C)(C)N2c2ccccc2C13O MOL11841
-Cc1ccc(C)n1C1CCOC1=O MOL11842
-O=Cc1ccc(C=O)n1C1CCOC1=O MOL11843
-O=S1(=O)CC#CCC(CO)C(CO)CC#CC1 MOL11844
-O=S(=O)(CC#CCO)c1ccccc1 MOL11845
-O=S(=O)(C=C=CCO)c1ccccc1 MOL11846
-O=S(=O)(CC#CCO)c1c2ccccc2cc2ccccc12 MOL11847
-O=S(=O)(CC#CCO)c1ccc2ccccc2c1 MOL11848
-O=S(=O)(CC#CCO)c1cccc2ccccc12 MOL11849
-COC(=O)C=Cc1ccc2nncnc2c1.COC(=O)C=Cc1ccc2nncnc2c1 MOL11850
-OCC(O)C(O)C(O)C(O)c1nnn[nH]1 MOL11851
-OCC(O)C(O)C(O)C(O)c1nnn[nH]1 MOL11852
-OCC(O)C(O)C(O)c1nnn[nH]1 MOL11853
-O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c([N+](=O)[O-])c1 MOL11854
-C=CCC(C)C(=O)CP1(=O)OC(C)CCN1C(C)(C)C MOL11855
-CC1CCN(C(C)(C)C)P(=O)(Cc2ccccc2)O1 MOL11856
-CC1CCN(C(C)(C)C)P(=O)(Cc2ccccc2)O1 MOL11857
-CC12CP(=O)(c3ccccc3)CC1C2(Cl)Cl MOL11858
-COP1(=O)CC2C(Cl)(Cl)C2(C)C1 MOL11859
-CC1=CP(=O)(c2ccccc2)C=C(C)C1=C(Cl)Cl MOL11860
-COCN1C(=O)C2CC(C=CC(N)=O)=CN2C(=O)c2ccccc21 MOL11861
-CCOCN1C(=O)C2CC(C=CC(=O)OC)=CN2C(=O)c2ccccc21 MOL11862
-Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O MOL11863
-COc1cc2c(cc1OC)-c1c3cc(O)ccc3nn[n+]1CC2.[Cl-] MOL11864
-O=[N+]([O-])C1(CO)COC(CCc2ccccc2)OC1 MOL11865
-C=CC1(O)CCC(C(C)(C)C)CC1CC(=C)Br MOL11866
-COC(=O)CC1COC(C)(C)O1 MOL11867
-CC1CCC(C(C)C)C(O)(CC(N)=O)C1 MOL11868
-C(=NCCN=Cc1cccc2ccccc12)c1cccc2ccccc12 MOL11869
-C=C1C2CCCC1C1(S(C)(=O)=O)CCCCC21O MOL11870
-CC(=O)OC1(Sc2ccccc2)CC2C3COC(C)(C)OC3CCC2(C)CC1=O MOL11871
-CC1(C)OC2CC(O)(CO)CC(O)C2O1 MOL11872
-COC1CCC2CC(=O)CCC2(C)C1=O MOL11873
-CC1=C2CCCC2CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 MOL11874
-COC1CC2C3C(=NNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])CCC2(C)C3C1 MOL11875
-CC12CC(Br)(Br)C(=O)C3C1CCCC32 MOL11876
-CC12CCC(=NNC(N)=O)C3C1CCCC32 MOL11877
-CC12CCC(=O)CC1CCC(O)C2Br MOL11878
-CC12CCC(=O)CC1CCC(OC=O)C2Br MOL11879
-CC12CC(=Cc3ccccc3)C(=O)C3C1CCCC32 MOL11880
-CC(C)(O)C1CCC2(C)CCCC(O)C2C1 MOL11881
-CC12CCCC(O)C1CC(CO)CC2 MOL11882
-CC12CCCC(=O)C1CC(C(=O)O)CC2 MOL11883
-CC12CCCCC1(O)CC(C(=O)O)CC2 MOL11884
-CC12CCCC(=O)C1(O)CC(C(=O)O)CC2 MOL11885
-CC(C)(O)C1CCC2(C)CCCC(O)C2(O)C1 MOL11886
-CC12CCC3(CC1C(=O)CCC2OCc1ccccc1)OCCO3 MOL11887
-C=C(C)C1CCC2(C)C(O)CCC(C)C2C1 MOL11888
-CC1(O)CCC2(C)C3CCCC3C12 MOL11889
-CC12CCCC(OC=O)C1(O)CC(C(=O)O)CC2 MOL11890
-CC12CCCC(Cl)C1(O)CC(C(=O)O)CC2 MOL11891
-CC1=CC(=O)CC2(C)CCC3CC12OC3(C)C MOL11892
-CC1C(=O)CCC2(C)CCC(C(C)(C)O)CC12O MOL11893
-CC1=C2CCCC2=CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 MOL11894
-NC(=O)N=C1CCC2C3CCCC2C13 MOL11895
-O=C(O)CC1CCCCC12CCOC2=O MOL11896
-CC12CCC(O)C(C)(C)C1=CCCC2=O MOL11897
-C=CC12CCCCC1CC(=C(O)OC)C(=O)C2 MOL11898
-CC1=CC2CCC1(C)CC2=C(C)OC=O MOL11899
-CC#CCC1CCC(OCC)=CC1=O MOL11900
-CC(C(=O)C12CC3CC(CC(C3)C1)C2)C(O)c1ccccc1 MOL11901
-O=C1CCC(C(=O)O)C2=C1CCCC2 MOL11902
-CC1=CC(=O)CCC2(C)C(OC=O)CCC12 MOL11903
-CC12CCCC(C#N)(C1)OC2=O MOL11904
-CC1(C)OC(=O)C(C)(C(O)c2ccccc2)O1 MOL11905
-CC1C=CC(O)C2(CO)CC3(CCC12)OCCO3 MOL11906
-CCC(=O)C12OC3OC(C)(C)OC3C1OC(C)(C)O2 MOL11907
-CC12CC=CC(=O)C1(C)CCC(=O)C2 MOL11908
-CC1C2CC=CC(=O)C2(C)CCC12OCCO2 MOL11909
-Oc1cccc2c1nc(O)c1c(O)c3c(cc12)OCO3 MOL11910
-Oc1ccc2c(c1)nc(O)c1c(O)c3c(cc12)OCO3 MOL11911
-CC(=O)Oc1c2c(cc3c1C(=O)NC1C3=CC(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OCO2 MOL11912
-CC(=O)Oc1cccc2c1nc(O)c1c(OC(C)=O)c3c(cc12)OCO3 MOL11913
-CC(=O)OC1C(O)C=C2c3cc4c(c(O)c3C(=O)NC2C1OC(C)=O)OCO4 MOL11914
-CC(=O)OC1C=C2c3cc4c(c(O)c3C(=O)NC2C(OC(C)=O)C1OC(C)=O)OCO4 MOL11915
-CC(=O)Oc1c2c(cc3c1C(=O)NC1C3=CC(O)C(OC(C)=O)C1OC(C)=O)OCO2 MOL11916
-COc1ccc(C(c2ccc(C(C)C)cc(=O)c2O)c2ccc3cccnc3c2O)cc1 MOL11917
-COc1ccc(C(c2ccc3cccnc3c2O)c2ccc3cccnc3c2O)cc1 MOL11918
-COc1ccc(C2C3=C4[OH+][Ge]5([O+]=C4C=C(C(C)C)C=C3)[O+]=C3C=C(C(C)C)C=CC2=C3[OH+]5)cc1 MOL11919
-CC(C)c1ccc(C(c2ccc(OCC(=O)O)cc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1.[NaH] MOL11920
-CC(C)c1ccc(C(c2ccc(OCC(=O)NCCN(C)C)cc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1.Cl MOL11921
-COc1ccc(C(c2ccc(C(C)C)cc(=O)c2O)c2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)cc1 MOL11922
-COc1ccc(C(C2=C(C)C(=O)c3ccccc3C2=O)c2ccc(C(C)C)cc(=O)c2O)cc1 MOL11923
-O=C(c1ccccc1)c1oc2ccc(Br)cc2c1-c1cnn(-c2ccccc2)c1 MOL11924
-CC1CC2C(=O)NC(=O)C2c2[nH]c3ccccc3c21 MOL11925
-CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2c1c1ccccc1n2Cc1ccccc1 MOL11926
-O=C1c2ccccc2C(=O)c2c1ccc1c3ccccc3n(Cc3ccccc3)c21 MOL11927
-CC(C)(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12 MOL11928
-COc1cccc(C=C(NC(C)=O)c2nc3cc(Cl)ccc3[nH]2)c1 MOL11929
-Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 MOL11930
-O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 MOL11931
-Nc1ccc(C(=O)NC(=Cc2ccc3c(c2)OCO3)c2nc3c(O)nc(S)nc3[nH]2)cc1 MOL11932
-Nc1ccc(C(=O)NC(=Cc2ccc3c(c2)OCO3)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 MOL11933
-O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1 MOL11934
-O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 MOL11935
-Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3c(O)nc(S)nc3[nH]2)cc1 MOL11936
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3cncnc3[nH]2)cc1 MOL11937
-O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3c(O)nc(S)nc3[nH]2)cc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 MOL11938
-COc1cc(C=C(NC(=O)c2ccccc2)c2nc3c(O)nc(S)nc3[nH]2)cc(OC)c1OC MOL11939
-O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 MOL11940
-O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 MOL11941
-Nc1ccc(C(=O)NC(=CC=Cc2ccco2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 MOL11942
-COc1cc(C=C(NC(=O)c2ccccc2)c2nc3cncnc3[nH]2)cc(OC)c1OC MOL11943
-Nc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)c2nc3ccccc3[nH]2)cc1 MOL11944
-O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 MOL11945
-O=C(NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 MOL11946
-COc1cc(C=C(NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(OC)c1OC MOL11947
-CC(=O)Nc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 MOL11948
-O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 MOL11949
-CC(=O)NC(=Cc1ccc(C=C(NC(C)=O)C2=NC3C(=O)c4ccccc4C(=O)C3N2)cc1)C1=NC2C(=O)c3ccccc3C(=O)C2N1 MOL11950
-Nc1ccc(C(=O)NC(=CC=Cc2ccco2)c2nc3c(O)nc(S)nc3[nH]2)cc1 MOL11951
-Nc1ccc(C(=O)NC(=Cc2ccc3c(c2)OCO3)c2nc3ccccc3s2)cc1 MOL11952
-O=C(NC(=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccccc2[nH]1)c1ccccc1 MOL11953
-COc1cc(C=C(NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(OC)c1OC MOL11954
-CC(=O)NC(=Cc1cccc([N+](=O)[O-])c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O MOL11955
-COc1ccccc1C=C1N=C(C)OC1=O MOL11956
-CC1=NC(=Cc2ccc(C)cc2)C(=O)O1 MOL11957
-O=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 MOL11958
-O=C(NC(=Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1)c1ccccc1 MOL11959
-O=C(NC(=Cc1ccccc1O)c1nc2ccccc2[nH]1)c1ccccc1 MOL11960
-O=C(NC(=Cc1c(O)ccc2ccccc12)c1nc2ccccc2[nH]1)c1ccccc1 MOL11961
-CC1=NC(=Cc2ccc(C=C3N=C(C)OC3=O)cc2)C(=O)O1 MOL11962
-O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)c1ccccc1 MOL11963
-CC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)O1 MOL11964
-O=C1OC(c2ccccc2)=NC1=Cc1c(O)cc(O)cc1O MOL11965
-COc1ccccc1C=C(NC(=O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 MOL11966
-CC(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 MOL11967
-COc1ccccc1C=C(NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 MOL11968
-O=C1OC(c2ccccc2)=NC1=Cc1ccc2ccccc2c1 MOL11969
-O=C(NC(=Cc1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1 MOL11970
-O=C(NC(=Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccccc1 MOL11971
-O=C(NC(=Cc1ccc(F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 MOL11972
-CC(CC(=O)N1C(=O)C(C)(C)C(O)C1CC(C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl MOL11973
-Cc1cc2c(cc1CO)N1Cc3cc(C)c(CO)cc3N(C2)C1 MOL11974
-Cc1cc2c(cc1C)N1Cc3c(ccc(C)c3C)N(C2)C1.Cc1cc2c(cc1C)N1Cc3cc(C)c(C)cc3N(C2)C1 MOL11975
-Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccccc2)n1 MOL11976
-O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(Br)cc1 MOL11977
-Nc1ccc(-c2cc(C(=O)Nc3nccs3)nc(S)n2)cc1 MOL11978
-Cc1ccccc1C1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)NC(=S)NC1N MOL11979
-COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)nc(NC#N)n2)cc1 MOL11980
-COc1ccc(C(=O)C(C(=O)C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1 MOL11981
-Cc1cccc(C)c1NC(=O)CCCC(=O)CC(=O)C=Cc1ccccc1 MOL11982
-Cc1ccc(NC(=O)c2nc(S)nc(N)c2-c2ccccc2C)cc1C MOL11983
-CCCCCCc1cc(C(=O)Nc2ccc(Cl)cc2)nc(S)n1 MOL11984
-Nc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nc(S)n1 MOL11985
-Cc1ccccc1NC(=O)C(=O)C1CN(c2ccccc2)NC1=N MOL11986
-Cc1cccc(C)c1NC(=O)CCCC(=O)C1CC(=O)CCC1=O MOL11987
-O=C(NC1C2CC3CC(C2)CC1C3)c1cc(C=Cc2ccccc2)nc(S)n1 MOL11988
-COc1ccc(C(=O)C(C(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(OC)cc2)cc1 MOL11989
-Cc1cccc(C)c1NC(=O)CCCC(=O)C(C#N)c1ccccc1 MOL11990
-O=C(NC1C2CC3CC(C2)CC1C3)c1ccncn1 MOL11991
-CCCC1=C(CC)C(C(=O)Nc2c(C)cccc2C)=NC(S)N1 MOL11992
-Cc1cccc(C)c1NC(=O)C(=O)CC(=O)c1cccc([N+](=O)[O-])c1 MOL11993
-CC1=C(c2cc(C(=O)Nc3nccs3)nc(NC#N)n2)Sc2ccccc2N1 MOL11994
-N#CC(N)(C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1 MOL11995
-CC1=C(c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ncn2)Sc2ccccc2N1 MOL11996
-COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2cccc(Cl)c2)c2ccc(OC)cc2)cc1 MOL11997
-C=C1CCC(CCC2CCC3(OC2)OC2(O)CCC3(C)OC2(C)C)C(C)(C)C1CC=C1C(=O)OCC1O MOL11998
-O=C(O)C(=CC=Cc1ccccc1)C(=O)O MOL11999
-[N-]=[N+]=NCC(CO)OCn1cc(Cc2ccccc2)c(=O)[nH]c1=O MOL12000
-[N-]=[N+]=NCC(CO)OCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O MOL12001
-[N-]=[N+]=NC1CC(n2cc(Cc3ccccc3)c(=O)[nH]c2=O)OC1CO MOL12002
-[N-]=[N+]=NC1CC(n2cc(Cc3cccc(OCc4ccccc4)c3)c(=O)[nH]c2=O)OC1CO MOL12003
-COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)C(O)C2)C(=O)C=C(NC1OC(C)C(OC)C(O)C1OC)C4=O MOL12004
-Cc1ccc(C2(C)CCC(C(C)(C)O)OO2)cc1 MOL12005
-O=[N+]([O-])c1cc(C(F)(F)F)cc2c1SC1=Nc3ccccc3CN12 MOL12006
-O=c1nc2sc3ccc4ccccc4c3n2[nH]c1=O MOL12007
-O=C(O)C1CCC(=O)N1S(=O)(=O)c1ccccc1 MOL12008
-CC(C)CC(NC(=O)c1cccc(O)c1O)C(=O)NCc1cc(CNC(=O)C(CC(C)C)NC(=O)c2cccc(O)c2O)cc(CNC(=O)C(CC(C)C)NC(=O)c2cccc(O)c2O)c1 MOL12009
-COC1=CC(=O)OC(C=C(C)C=CC2=C(C)CCCC2(C)C)C1 MOL12010
-CC(C=CC1=C(C)CCCC1(C)C)=CC1CC(N(C)C)=CC(=O)O1 MOL12011
-COCCOc1cc(C)cc(C=C(C)C=CC2=C(C)CCCC2(C)C)n1 MOL12012
-CC1=C(C=CC2=CC(=CC(=O)O)CC(C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 MOL12013
-CC1CC2CC(=O)CC3(C1)C2CCCN3CCCO MOL12014
-CC1(C)OC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)O1 MOL12015
-COC(OC)C(C)C(O)C(C)(O)C1OC(C)(C)OC(C(C)C=C(C)C)C1C MOL12016
-COC(C(=O)NCCCCNC(=O)C(OC)c1ccccc1)c1ccccc1 MOL12017
-O=C1CC2CCCC23CC2(CCN13)OCCO2 MOL12018
-CCOC(=O)CC1C(=O)CC2CC(C)CC(=O)C21CCC#N MOL12019
-C=C1CC2CC(C)CC(O)C2(CCCN)C1O MOL12020
-C=C1CC2CC(C)CC(O)C2(CCCNC(=O)CCOCc2ccccc2)C1O MOL12021
-COC(=O)CCC(=O)CC1CC(=O)C2CCCN12 MOL12022
-CCOC(=O)C(CCC=Cc1ccccc1)N1CCCC1C(=O)OC MOL12023
-CC(C)CC12CC3CCC(CNC1=O)C32C MOL12024
-CC1CC(=O)C2=CCCC3(SCCCS3)C2C1CO MOL12025
-C=CC(C)C1(CCCOCc2ccccc2)C(=S)N2CCC3(CC24CCCC14)OCCO3 MOL12026
-CCOC(=O)C=C1C(CCCOCc2ccccc2)C2CCCC23CC2(CCN13)OCCO2 MOL12027
-N#CC1(C#N)C(c2ccccc2)C=CC12OCCCO2 MOL12028
-Cl.Cn1cc(NC(=O)C2CCC(=N)N2)cc1C(=O)NCCC(=N)N MOL12029
-Cl.Cn1cc(NC(=O)C2CCC(=N)N2)cc1C(=O)NCCC(=N)N MOL12030
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)C3CCC(=N)N3)c[nH]2)cc1C(=O)NCCC(=N)N MOL12031
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)C3CCC(=N)N3)c[nH]2)cc1C(=O)NCCC(=N)N MOL12032
-CC(C)NCC(O)COC(=O)c1cccs1.Cl MOL12033
-O=C(OCC1CO1)c1cccs1 MOL12034
-COc1ccc(CCNCc2cccc(OC)c2OC)cc1OC MOL12035
-O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Cl)cn2)c(C(F)(F)F)c1 MOL12036
-Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1 MOL12037
-CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1 MOL12038
-Cc1ccc(NC(=O)NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1 MOL12039
-O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1 MOL12040
-COc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 MOL12041
-CC(C)OC(=O)c1cc(NC(=O)C(C)(C)C)c(F)cc1Cl MOL12042
-CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC.[NaH] MOL12043
-CC1=CCCC2(C)OC2CC2(C)CC(=O)C(=C(C)C)C2CC1 MOL12044
-COC(=O)C1C=CC(NC(C)=O)C1 MOL12045
-O=C(O)c1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C(=O)O)c8c1c2c(c34)c(c65)c78 MOL12046
-O=C(O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O MOL12047
-COc1cc(OC)c2c(c1)C(=O)c1ccccc1C2=O MOL12048
-O=C1c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21 MOL12049
-COc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O MOL12050
-COC1=CC2(OC)CCC1C1=C2C(=O)c2c(O)cccc2C1=O MOL12051
-COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O MOL12052
-Cc1cc(O)c2c(c1)C(=O)C=CC2=O MOL12053
-C[As+](C)(C)CC1OC(OCC(O)COS(=O)(=O)[O-])C(O)C1O MOL12054
-NC(=O)c1ncn2c1NC(=O)CC2 MOL12055
-c1ccc(-c2nc3sccn3n2)cc1 MOL12056
-CSc1nc(O)c(N)c(NC2OCC(O)C(O)C2O)n1 MOL12057
-CSc1nc(NC2OCC(O)C(O)C2O)c(N)c(=O)n1C MOL12058
-CN(C)C=[O+][Cu-5]12([O+]=CN(C)C)([O+]=C(C3=C([O-])c4ccccc4S(=O)(=O)N3C)Nc3cccc[n+]31)[O+]=C(C1=C([O-])c3ccccc3S(=O)(=O)N1C)Nc1cccc[n+]12 MOL12059
-COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1 MOL12060
-O=C1C(=Cc2cc(O)c(O)c(O)c2)Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c21 MOL12061
-O=c1c(O)c(O)c1=O MOL12062
-COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 MOL12063
-COc1c(OC2OC(CO)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2 MOL12064
-COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=S)cc1C(NC(C)=O)CC2 MOL12065
-CC(CNC(=O)CCC(N)C(=O)O)C(=O)O MOL12066
-CN(C(=N)c1ccccc1)c1ccccc1 MOL12067
-CN(C)C(=N)c1ccccc1.Cl MOL12068
-N=C(c1ccccc1)N(c1ccccc1)c1ccccc1 MOL12069
-Cl.N=C(c1ccccc1)N1CCCCC1 MOL12070
-CC(C)N(O)C(=N)c1ccccc1.Cl MOL12071
-N=C(c1ccccc1)N(O)C1CCCCC1 MOL12072
-CN(C(=NO)c1ccccc1)c1ccccc1 MOL12073
-ON=C(c1ccccc1)N1CCCCC1 MOL12074
-CCOC(=O)C1C2CCCCC23C(Cl)(Cl)C32CC1(C(=O)OCC)CCC(=O)O2 MOL12075
-CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2O)C14 MOL12076
-CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(O)C5C(O)(C(O)C6OC)C(C(OC)C23)C14 MOL12077
-CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2OC(C)=O)C14 MOL12078
-CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(O)(C(OC)C23)C14 MOL12079
-CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14 MOL12080
-CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC7(OCOC7(C(OC(C)=O)C23)C14)C5C6OC MOL12081
-CCN1CC2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14 MOL12082
-COCC12CCC(OC)C34C5CC6(O)C(OC)C7OC7(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C)C2 MOL12083
-COCC12CCC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccccc5)C(C(OC)C13)C4N(C=O)C2 MOL12084
-CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14 MOL12085
-CCN1CC2(COC)CCC(=O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14 MOL12086
-CCN1CC2(OC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C2CC(O)(C13)C1(O)CC(OC)C2CC4C1(O)C2OC MOL12087
-CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O MOL12088
-CCN1CC2(CO)CCC(O)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14 MOL12089
-CCN1CC2(COC)CCC(OC(=O)c3ccc(OC)cc3)C34C5CC6C(OC)CC(OC(C)=O)(C5C6OC(C)=O)C(C(OC)C23)C14 MOL12090
-C=C1C2C(=O)C3C4N(C)C5CC3(C1OC(C)=O)C(C2OC(C)=O)C41C(OC(C)=O)C(OC(=O)c2ccccc2)CC(C)(C=O)C51 MOL12091
-C=C1C2CC3C4N5CC6(C)CCCC47C6C5CC3(C1O)C7C2O MOL12092
-C=C1C2CC3C4N5CC6(C)CCCC47C(C2O)C3(CC5(O)C67)C1O MOL12093
-C=C1C2CCC3(CCC4C5(C)CCCC4(CN(CCO)C5=O)C3C2)C1O MOL12094
-C=C1C2CCC3C45C=NCC(C)(CCC4)C5CCC3(C2)C1O MOL12095
-COc1cc(Cl)c2c3c(c(C(=O)c4ccccc4)oc13)CCC2 MOL12096
-COc1ccc2c3c(c(C(=O)c4ccccc4)oc13)CCC2 MOL12097
-COc1cc(Cl)c2c3c(c(C(C)=O)oc13)CCC2 MOL12098
-CCOC(=O)COc1ccc(OC)c2c1C(=O)CCC2 MOL12099
-O=C1CCC2COc3ccc(O)c1c32 MOL12100
-COc1ccc2c3c(coc13)C(CCC(=O)O)CC2 MOL12101
-COc1ccc2c3c(c(C(=O)O)oc13)C(CCC(=O)O)CC2 MOL12102
-COc1ccc2c(c1OCC(=O)O)C(=O)C(CCC(=O)O)CC2 MOL12103
-COc1ccc2c(c1O)C(=O)C(CCC(=O)O)CC2 MOL12104
-COc1ccc(Br)c(CCCCC(=O)O)c1 MOL12105
-O=C(O)CCc1coc2ccc(O)cc12 MOL12106
-CC(=O)Oc1cccc2c1C(=O)C(Br)(Br)CCC2 MOL12107
-COc1ccc2occ(CCC(=O)O)c2c1 MOL12108
-CC(C)(C)c1cc(O)c2c(c1O)C(=O)CCC2 MOL12109
-COc1ccc2oc(C(=O)O)c3c2c1CCC3 MOL12110
-Oc1ccc2occ3c2c1CCC3 MOL12111
-O=c1ccccc2cccc(O)c12 MOL12112
-O=C(O)CCC1CCc2cccc(OCC(=O)O)c2C1=O MOL12113
-O=C1CCC2CCc3cccc4oc1c2c34 MOL12114
-O=C(O)CCC1CCc2cccc3oc(C(=O)O)c1c23 MOL12115
-O=C(O)CCC1CCc2cccc(O)c2C1=O MOL12116
-COC(=O)CCC1CCc2c(OC)ccc(OC)c2C1=O MOL12117
-COC(=O)CCC1CCc2c(OC)ccc(O)c2C1=O MOL12118
-O=c1c2cc3c(cc2c2cccc4ccn1c42)OCO3 MOL12119
-CCC(Oc1ccc(OC)c2c1C(=O)CCC2)C(=O)O MOL12120
-COC(=O)C1(C)CCc2c(OC)ccc(OC)c2C1=O MOL12121
-CCC1CCc2c(OC)ccc(OCC(=O)O)c2C1=O MOL12122
-COc1ccc(OC(C)C(=O)O)c2c1CCCC2=O MOL12123
-COc1ccc(OC(C)C(=O)O)c2c(=O)ccccc12 MOL12124
-CCC(Oc1ccc(OC)c2ccccc(=O)c12)C(=O)O MOL12125
-CCc1oc2ccc(OC)c3ccccc1c23 MOL12126
-O=[N+]([O-])c1ccc2occ3c2c1CCC3 MOL12127
-CCOC(=O)C1Oc2ccc([N+](=O)[O-])c3c2C1(O)CCC3 MOL12128
-COc1ccc(OC(C)=O)c2c1CCC=CC2=O MOL12129
-COc1ccc2c3c1C(=O)CCCC3CO2 MOL12130
-O=C1CCC2CCOc3ccc(O)c1c32 MOL12131
-O=C1CCCC2COc3ccc(O)c1c32 MOL12132
-COc1ccc(O)c2c(=O)ccccc12 MOL12133
-CCOC(=O)C1Oc2ccc([N+](=O)[O-])cc2C1(C)O MOL12134
-COc1ccc(OCC(=O)O)c2c1CCCC2=O MOL12135
-CCOc1ccc(OCC(=O)O)c2c1CCCC2=O MOL12136
-COc1ccc(OCC(=O)O)c(C(=O)CCC(=O)O)c1 MOL12137
-COc1ccc(O)c(C(=O)CCC(=O)O)c1 MOL12138
-O=C(NCCCCCCNC(=O)NC1OCC(O)C(O)C1O)NC1OCC(O)C(O)C1O MOL12139
-C#CC[N+](C)(CC#C)CC#C.[Br-] MOL12140
-C#CCC(O)c1ccccc1C(O)CC#C MOL12141
-BrC(Br)([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-] MOL12142
-CCOC(=O)C(C(=O)OCC)=c1sc(=C(C(=O)OCC)C(=O)OCC)s1 MOL12143
-O=C1CC(O)(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 MOL12144
-[O-][Cl+3]([O-])([O-])O.c1ccc(-c2[o+]c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 MOL12145
-CC12CCC(C)(c3cc(O)c(O)cc31)c1cc(O)c(O)cc12 MOL12146
-CC(=O)Oc1cc2c(cc1OC(C)=O)C1(C)CCC2(C)c2cc(OC(C)=O)c(OC(C)=O)cc21 MOL12147
-O=C([O-])c1ccc([I+]c2ccccc2)cc1 MOL12148
-BrC(Br)=C1C(=C(Br)Br)C(Br)C1Br MOL12149
-C1=CC(=NN=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 MOL12150
-C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 MOL12151
-CC(C)(C)C(C#N)(C#N)c1ccc(C(C#N)(C#N)C(C)(C)C)nn1 MOL12152
-S=C1CNC(=S)CN1 MOL12153
-N#CC(C#N)C(c1ccccc1)c1ccccc1 MOL12154
-N#CC(C#N)=C1NN=C(Cl)c2ccccc21 MOL12155
-C[NH+](C)c1nc2ccccc2[nH]1.[Cl-] MOL12156
-CN(C)C(=C1C(Br)=C(Br)C(Br)=C1Br)N(C)C MOL12157
-CCOC(=O)c1c(-c2[nH]c(C(=O)OCc3ccccc3)c(C)c2C(=O)OCC)[nH]c(C(=O)OCc2ccccc2)c1C MOL12158
-CCOC(=O)C(C#N)=Cc1[nH]c(C(=O)OCc2ccccc2)c(C)c1C MOL12159
-CCOC(=O)C1C(=S)NC(=O)C1C#N MOL12160
-Cc1c(C=NN=Cc2[nH]c(C(=O)OC(C)(C)C)c(C)c2C)[nH]c(C(=O)OC(C)(C)C)c1C MOL12161
-CCOC(=O)c1[nH]c(COC(C)=O)c2c1CCCCCCCCCC2 MOL12162
-Cc1c(C=C2CCC(=Cc3[nH]c(C(=O)OC(C)(C)C)c(C)c3C)C2=O)[nH]c(C(=O)OC(C)(C)C)c1C MOL12163
-CCOC(=O)C(C#N)=Cc1[nH]c(C)c(C)c1C MOL12164
-COC(=O)CCC1=NOC(CC2CC(CCC(=O)OC)=NO2)C1 MOL12165
-O=C1C=C(O)C(=Cc2c(O)cc(O)cc2O)C(O)=C1 MOL12166
-CC(C)C1(O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 MOL12167
-CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC MOL12168
-CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC MOL12169
-CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC MOL12170
-CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC MOL12171
-COc1ccc2oc(C(=O)O)c3c2c1CCC3CCC(=O)O MOL12172
-COc1ccc2oc3c4c2c1CCC4CCC3=O MOL12173
-COc1ccc2c3c(c(C(=O)O)oc13)CCC2 MOL12174
-CCOC(=O)c1oc2ccc(OC)c3c2c1CCC3 MOL12175
-O=C(O)c1oc2cccc3c2c1CCC3 MOL12176
-CCOC(=O)c1oc2c(OC)ccc3c2c1CCC3 MOL12177
-CCOC(=O)c1oc2c(OC)cc(Cl)c3c2c1CCC3 MOL12178
-COc1ccc(OC)c2c1C(=O)C1CC1(Br)C2=O MOL12179
-CCOC(=O)COc1ccc(OCC(=O)OCC)c2c1C(=O)CCCC2=O MOL12180
-COc1ccc2c3c1C(=O)CCC3CO2 MOL12181
-CCOC(=O)COc1cccc2occc(=O)c12 MOL12182
-CCOC(=O)COc1cccc2c1C(=O)CCO2 MOL12183
-O=C(O)COc1ccc(O)c2c1C(=O)CCCC2=O MOL12184
-COc1ccc(O)c2c1C(=O)CCCC2=O MOL12185
-CCOC(=O)C(Oc1ccc(OC)c2c1C(=O)CCC2)c1ccccc1 MOL12186
-COC(=O)C1(C(C)C)CCc2c(OC)ccc(OC)c2C1=O MOL12187
-COc1ccc(OCC(=O)O)c2c1CCC(C)C2=O MOL12188
-COc1ccc(OC(C(=O)O)C(C)C)c2c1CCCC2=O MOL12189
-CCC1(C(=O)OC)CCc2c(OC)ccc(OC)c2C1=O MOL12190
-COC(=O)C1CCc2c(OC)ccc(OC)c2C1=O MOL12191
-COc1ccc(OCC(=O)O)c2c1CCC(C(C)C)C2=O MOL12192
-COc1ccc(OC(C(=O)O)c2ccccc2)c2c1CCCC2=O MOL12193
-O=C(O)COc1ccc2c3c1C(=O)CCC3CO2 MOL12194
-Cc1c(C(=O)O)oc2ccc([N+](=O)[O-])cc12 MOL12195
-CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)O MOL12196
-O=C(O)CCC1CCc2cccc3occ1c23 MOL12197
-O=C1CCCc2ccc([N+](=O)[O-])c(O)c21 MOL12198
-O=C(NC(=O)c1cn(CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCO)CCn2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)[nH]c2=O)c(=O)[nH]c1=O)OCc1ccccc1 MOL12199
-O=C(NC(=O)c1cn(CCN2CCN(C(=O)NCCCCCCNC(=O)N3CCN(CCn4cc(C(=O)NC(=O)OCc5ccccc5)c(=O)[nH]c4=O)CC3)CC2)c(=O)[nH]c1=O)OCc1ccccc1 MOL12200
-CCOC(=O)NC(=O)c1cn(CCN2CCNCC2)c(=O)[nH]c1=O MOL12201
-O=C(NC(=O)c1cn(CCN2CCNCC2)c(=O)[nH]c1=O)OCc1ccccc1 MOL12202
-CCOC(=O)NC(=O)c1cn(CCNCCO)c(=O)[nH]c1=O MOL12203
-O=C(NC(=O)c1cn(CCNCCO)c(=O)[nH]c1=O)OCc1ccccc1 MOL12204
-CC1CCC2(CO)C(CO)=CCCC2C1(C)CCC(=CCO)CO MOL12205
-O=C1CC(c2ccc(O)cc2)C2(O1)C(=O)OC1C(O)COC12O MOL12206
-CCOC(=O)C1=C2c3cccnc3-c3ccccc3N2C(C(=O)OCC)C1C(=O)OCC MOL12207
-Brc1cnc2nsnc2c1 MOL12208
-Clc1ccc(C2SCc3nc4ccccc4n32)cc1Cl MOL12209
-CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)[O-])cc1.[NaH] MOL12210
-CC1=CC(=C(c2ccccc2S(=O)(=O)O)c2cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c2C)C(C)=C(CN(CC(=O)O)CC(=O)O)C1=O.[NaH] MOL12211
-O=C1C=CC(=C(c2ccc(O)cc2)c2c(Br)c(Br)c(Br)c(Br)c2S(=O)(=O)O)C=C1 MOL12212
-COc1ccc(C(c2ccc(C(C)C)cc(OC)c2=O)c2ccc(C(C)C)cc(OC)c2=O)cc1 MOL12213
-Cc1nc(O)nc2[nH][nH]c(=O)c12 MOL12214
-Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCCC2.Cl MOL12215
-Cc1nc(=O)n2c(C)n[nH]c2c1C(=O)Nc1cc(Cl)cc(Cl)c1 MOL12216
-Cc1nc(=O)n2c(C)n[nH]c2c1C(=O)O MOL12217
-Cl.O=c1nc(C=Cc2ccccc2Cl)cc2n1CCN2CCO MOL12218
-Cc1nc(O)nc(NN=Cc2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 MOL12219
-O=C(Nc1c(O)nc(O)nc1C(=O)NC1CCCCC1)c1ccc(Cl)cc1 MOL12220
-Nc1ncnc2c1N=CN(Oc1ccccc1)N2 MOL12221
-CC1=CCN(C2CC(C)C(=O)N2)C1=O MOL12222
-CC1=CC(N2C(=O)C(C)=CC2O)NC1=O MOL12223
-N#CC1Sc2ccccc2-n2cccc21 MOL12224
-C=CCOC1OC(CO[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 MOL12225
-CCOC(=O)CN1CCSC1=NC#N MOL12226
-COC(=O)CN1CCSC1=NC#N MOL12227
-O=C(CO[N+](=O)[O-])OCC=Cc1ccccc1 MOL12228
-CC=CCOC(=O)CO[N+](=O)[O-] MOL12229
-C=CCCOC(=O)CO[N+](=O)[O-] MOL12230
-C=CCCCC(C(=O)OCC)C(=O)OCC MOL12231
-CSCCOC(=O)C(=[N+]=[N-])c1ccc([N+](=O)[O-])cc1 MOL12232
-O=C(CO[N+](=O)[O-])OCC(=O)c1ccccc1 MOL12233
-C[S+](C)CCOC(=O)C(=[N+]=[N-])c1ccc([N+](=O)[O-])cc1.[I-] MOL12234
-O=C(O)C(O[N+](=O)[O-])c1ccccc1 MOL12235
-COC(=O)C1=CC2OC13CC1CCC3(C2=O)C1(C)C MOL12236
-COC(=O)C1C=NNC1C(=O)OC MOL12237
-C=C=C(C(=O)OC)S(=O)c1ccccc1[N+](=O)[O-] MOL12238
-C=C=C(C(=O)OC)S(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL12239
-COC(=O)C1=C(CS(=O)c2ccccc2[N+](=O)[O-])C2C=CC1C2 MOL12240
-COC(=O)C1=C(CS(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2C=CC1C2 MOL12241
-COC(=O)C1=C(CO)C2C=CC1C2 MOL12242
-COC(=O)C1=C(C=O)C2C=CC1C2 MOL12243
-COC(=O)C1=C(CS(=O)c2ccccc2[N+](=O)[O-])ON(C)C1c1ccccc1 MOL12244
-COC(=O)C1=C(CS(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ON(C)C1c1ccccc1 MOL12245
-O=C1C(=Cc2ccccc2)C2C(=Cc3ccccc3)C(=O)C(=Cc3ccccc3)C2C1=Cc1ccccc1 MOL12246
-OC1c2ccccc2C2C(O)c3ccccc3C12 MOL12247
-O=C1C2=C(C(c3ccccc3)=C1c1ccccc1)c1ccccc1C1(c3ccccc3)C2=C(O)C(c2ccccc2)=C1c1ccccc1 MOL12248
-O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)C1=C1C(=O)C(c2ccccc2)=C(c2ccccc2)C1c1ccccc1 MOL12249
-O=C1C(Br)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 MOL12250
-CCOC(=O)c1c(C)c(C)n2c1NC(=O)C2 MOL12251
-OCC1NC(CO)C(O)C1O MOL12252
-CC(C)O.OCC1NC(CO)C(O)C1O MOL12253
-CCC=CCC=CC1CC(=O)NCCCNCCCCN1 MOL12254
-COC1=C(OC)C(O)(c2ccccc2)C1=O MOL12255
-c1cc(-c2cn[nH]c2)cc(-c2cn[nH]c2)c1 MOL12256
-O=C(Nc1ccccc1)c1cc(C(=O)Nc2ccccc2)[nH]n1 MOL12257
-COC(=O)c1c(NC(=O)C(C)C)n[nH]c1NC(=O)C(C)C MOL12258
-COC(=O)c1c(N)[nH][nH]c1=N MOL12259
-Cn1ccnc1C(c1nccn1C)C(C)(C)[N+](=O)[O-] MOL12260
-COc1c(NC(C)=O)cc(C)cc1NC(C)=O MOL12261
-N#CCCN(CCC#N)C(=O)c1cccc(C(=O)N(CCC#N)CCC#N)c1 MOL12262
-Cc1cc(C)n(CCNCCn2nc(C)cc2C)n1 MOL12263
-COC(=O)C(C#N)=C(N)C(Cl)(Cl)Cl MOL12264
-OCCN(CCO)c1cccc(N(CCO)CCO)c1 MOL12265
-c1cc(N(CCn2cccn2)CCn2cccn2)cc(N(CCn2cccn2)CCn2cccn2)c1 MOL12266
-OCCN(CCO)c1cccc(N(CCO)CCO)n1 MOL12267
-Cn1ccnc1Cn1cc(-c2cccc(-c3cn[nH]c3)c2)cn1 MOL12268
-O=C1c2ccccc2C(=O)N1CCN(CCN1C(=O)c2ccccc2C1=O)Cn1cccn1 MOL12269
-CC(=O)N(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O MOL12270
-CC(=O)N(CCN)CCN MOL12271
-N#CCC(O)CC#N MOL12272
-O=C1c2ccccc2C(=O)N1CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 MOL12273
-c1ccc(CN(Cn2cccn2)Cn2cccn2)nc1 MOL12274
-c1cnn(CN(Cn2cccn2)Cn2cccn2)c1 MOL12275
-c1ccc(CN(Cc2ccccn2)Cn2cccn2)nc1 MOL12276
-c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)cc1 MOL12277
-OCCC(Sc1ccccc1)Sc1ccccc1 MOL12278
-c1ccc(SC2(Sc3ccccc3)CCCC2)cc1 MOL12279
-c1ccc(SC(Sc2ccccc2)=C2CCC2)cc1 MOL12280
-OC1(C(Sc2ccccc2)Sc2ccccc2)CCCCCC1 MOL12281
-CCCC(Sc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 MOL12282
-Cc1ccc(SC(CCC(Sc2ccc(C)cc2)Sc2ccc(C)cc2)Sc2ccc(C)cc2)cc1 MOL12283
-O=C1CCC(=O)N1Sc1ccccc1 MOL12284
-CC1CCOC(Sc2ccccc2)C1 MOL12285
-c1ccc(SC2CCCO2)cc1 MOL12286
-c1ccc(SC2CCCCO2)cc1 MOL12287
-CC1(C)CCOC(Sc2ccccc2)C1 MOL12288
-O=CCCCC(Sc1ccccc1)Sc1ccccc1 MOL12289
-c1ccc(SCCCC(Sc2ccccc2)Sc2ccccc2)cc1 MOL12290
-CC1(C)CCC(Sc2ccccc2)O1 MOL12291
-C[Si](C)(C)C(CCCCSc1ccccc1)(Sc1ccccc1)Sc1ccccc1 MOL12292
-C[Si](C)(C)C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 MOL12293
-OC1CCCC1Sc1ccccc1 MOL12294
-CC1(C(=O)Nc2ccc3ccccc3c2)CC2(C)CC(C)(C1)C(O)NC2=O MOL12295
-CC1(C(=O)Nc2ccccc2)CC2(C)CC(C)(C1)C(O)NC2=O MOL12296
-CC1(C(=O)Nc2ccc3cc4ccccc4cc3c2)CC2(C)CC(C)(C1)C(O)NC2=O MOL12297
-CC=C(C)c1cc(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2 MOL12298
-CC=C(C)c1cc(OC)c(C)c2c1C(=O)Oc1c(C)c(O)c(Cl)c(C(C)=CC)c1O2 MOL12299
-c1ccc(SC(CCCCC(Sc2ccccc2)Sc2ccccc2)Sc2ccccc2)cc1 MOL12300
-c1ccc(SC(CCCCOC2CCCCO2)Sc2ccccc2)cc1 MOL12301
-OC12CCCCC1CCC2 MOL12302
-OC1CC1Sc1ccccc1 MOL12303
-C[Si](C)(C)C1(Sc2ccccc2)SCCCS1 MOL12304
-CC12CCCCC1(C)C2Sc1ccccc1 MOL12305
-Cl.OCC1NCC(O)C(O)C1O MOL12306
-CC(=O)Oc1ccc(O)c(O)c1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C MOL12307
-O=C1c2ccccc2[N+](=O)[C-]1c1ccc([N+](=O)[O-])cc1 MOL12308
-COC(=O)C1=CC2C=CC(C1C(=O)OC)C1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C21OC MOL12309
-COC(=O)C1=C(C(=O)OC)C2C=CC1C1C(Cl)=C(Cl)C21 MOL12310
-O=C1c2ccccc2C2(Br)C(=O)c3ccccc3C12 MOL12311
-O=C1c2ccccc2C(=O)C2C1C1C(=O)c3ccccc3C(=O)C21 MOL12312
-c1ccc(P(=C2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1 MOL12313
-OC1c2ccccc2C2(O)C1C(c1ccccc1)C(c1ccccc1)C2(O)c1ccccc1 MOL12314
-COC(=O)c1c(C(=O)OC)c(C(=O)OC)[c-](C(=O)OC)c1C(=O)OC.[K+] MOL12315
-CCOC(=O)C(C#N)=C1C(O)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC.c1ccncc1 MOL12316
-COC(=O)C1=C(C(=O)OC)C2(C(=O)OC)OC1(OC)C(C1(C(=O)OC)C(C(=O)OC)=C1C(=O)OC)=C2C(=O)OC MOL12317
-NN=C1c2ccccc2C2C(=NN)c3ccccc3C12 MOL12318
-N#CC1(C#N)C(c2ccc(C3C(C#N)(C#N)C3(C#N)C#N)cc2)C1(C#N)C#N MOL12319
-Br.CCC1=C(C)C(=Cc2[nH]c(CBr)c(CC)c2C)N=C1CBr MOL12320
-Br.CCC1=C(C)C(=Cc2[nH]c(C(Br)Br)c(CC)c2C)N=C1C(Br)Br MOL12321
-N#Cc1c(N)oc2cc3c(C#N)c(N)oc3cc12 MOL12322
-O=C(O)c1ccccc1C1c2ccc(Cl)cc2Oc2cc(Cl)ccc21 MOL12323
-COC(=O)C1=C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC MOL12324
-O=C1C(=O)C(Br)(Br)C(Br)=C1Br MOL12325
-CCOC(=O)c1[nH]c(COC(C)=O)c(CCCOC(C)=O)c1CCCOC(C)=O MOL12326
-COC(=O)c1c[nH]cc1CCc1c[nH]cc1C(=O)OC MOL12327
-COC(=O)c1c[nH]cc1CCCCc1c[nH]cc1C(=O)OC MOL12328
-FC(F)(F)C12C34C=CC5(CCC6(C=CC1(CC3)O6)C52C(F)(F)F)O4 MOL12329
-O=C1OC(=O)C2C3C=CC(C12)C1C2C=CC2C31 MOL12330
-COC(=O)C12C34C=CC5(CCC6(C=CC1(CC3)O6)C52C(=O)OC)O4 MOL12331
-ClC(N=Nc1ccccc1)=NNc1ccccc1 MOL12332
-COC(=O)C1C(C(=O)OC)C2C(=O)C3C(C(=O)OC)C(C(=O)OC)C3C(=O)C12 MOL12333
-BrC1(Br)C2C=CCCCCC21 MOL12334
-CCOc1ccc(OCC)c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[I-] MOL12335
-CCOc1ccc(O)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-] MOL12336
-C#CC1(O)c2ccccc2C(=O)c2ccccc21 MOL12337
-COC(=O)C(=NNc1ccccc1[N+](=O)[O-])C(=O)OC MOL12338
-CC(C)(c1ccc(C=O)o1)c1ccc(C(C)(C)c2ccc(C=O)o2)o1 MOL12339
-CCOC(=O)C1(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2 MOL12340
-CC1c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc(o2)C(C)(C)c2ccc1o2 MOL12341
-CC1(C)C(=O)C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C=CC(=O)C(C)(C)c2ccc1o2 MOL12342
-CC1(C)C(=O)CCC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)CCC(=O)C(C)(C)c2ccc1o2 MOL12343
-CC1(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C=CC1=O MOL12344
-CC1(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC1=O MOL12345
-CC1(C)C(=O)C=CC(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)C(Br)C(Br)C(=O)C(C)(C)c2ccc1o2 MOL12346
-CCOC(=O)C(Cc1cc(OC)c(CC(C(=O)OCC)C(=O)OCC)cc1OC)C(=O)OCC MOL12347
-COc1cc(CC(C(=O)O)C(=O)O)c(OC)cc1CC(C(=O)O)C(=O)O MOL12348
-O=C(O)c1c[nH]cc1C(=O)O MOL12349
-O=C(O)c1[nH]c(C(=O)O)c(CC(F)(F)C(F)(F)C(F)(F)F)c1CC(F)(F)C(F)(F)C(F)(F)F MOL12350
-CC1(C)OC2C=C(COCc3ccccc3)CC3C4COC(O4)C(O1)C23 MOL12351
-COC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1 MOL12352
-CCOC(=O)c1cc(OC(=O)CC)c2c(OC)ccc(OC)c2c1 MOL12353
-O=S(=O)(O)c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)O)c2O)c1O.[NaH] MOL12354
-Cc1nc2c(ccc3ncccc32)[nH]1 MOL12355
-Nc1ncnc2c1ncn2CC(O)C(=O)O MOL12356
-O=C(c1ccccc1)N1C2CCC1C(C(F)(F)F)=C2C(F)(F)F MOL12357
-Nc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O MOL12358
-N#CC(C#N)=c1[nH]c2cccc3c2-c2c(cccc2c3=C(C#N)C#N)[nH]1 MOL12359
-N#CC(C#N)SCc1ccccc1 MOL12360
-O=C(NCC(O)CNC(=O)C(F)(F)F)C(F)(F)F MOL12361
-CCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCC MOL12362
-CSC(=S)c1ccc(C(=S)SC)cc1 MOL12363
-O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=S)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL12364
-O=C(O)CNC(=O)CCCC(=O)NCC(=O)O MOL12365
-Cc1ccc(S(=O)(=O)C(CC(NC=O)S(=O)(=O)c2ccc(C)cc2)NC=O)cc1 MOL12366
-N#CC(C#N)=C(C(C#N)C#N)C(C#N)C#N.[NaH] MOL12367
-CC1=C2C(N)=C(C#N)C(C)=C2C(N)=C1C#N MOL12368
-Oc1cc2cc(O)nc(O)c2c(O)n1 MOL12369
-O=C(O)c1cc2sc(C(=O)O)cc2s1 MOL12370
-O=Cc1cc2sc(C=O)cc2s1 MOL12371
-[Br-].c1ccc([P+](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL12372
-CC(=O)Nc1ccc(SC#N)c2c(NC(C)=O)cccc12 MOL12373
-O=C1OCC2C1C1c3ccccc3C(O)c3ccccc3C21 MOL12374
-N#Cc1cnsc1 MOL12375
-c1ccc(P(=Nc2ccccc2N=P(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL12376
-CC(C)=CCCC(C)=CCCC1(C)C=Cc2c(c3ccccc3oc2=O)O1 MOL12377
-CCOC(=O)NC(=O)c1cn(CCCCCCCCCCC(=O)N2CCN(CCn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O MOL12378
-CCOC(=O)NC(=O)c1cn(CCCOC(=O)NCCCCCCNC(=O)OCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL12379
-COC1CC(Br)(C#N)C1 MOL12380
-CCc1ccc(C(C)=NNC(N)=S)cc1 MOL12381
-CCOc1ccc(C(C)=NNC(N)=S)cc1 MOL12382
-CC(=NNC(N)=S)c1ccc(C2CCCCC2)cc1 MOL12383
-COc1ccc(C(C)=NNC(N)=S)cc1OC MOL12384
-CC(=NNC(N)=O)c1ccccc1 MOL12385
-CC(Cc1ccccc1)=NNC(N)=S MOL12386
-CC(=NNC(N)=S)c1ccc(Oc2ccccc2)cc1 MOL12387
-CCOC(=O)c1ccc(C(C)=NNC(N)=S)cc1 MOL12388
-c1ccc(C2=NN(c3ccccc3)CC2)cc1 MOL12389
-Cc1ccc(S(=O)(=O)CNC(=S)CCCC(=S)NCS(=O)(=O)c2ccc(C)cc2)cc1 MOL12390
-CC(=O)N1c2ccccc2N(C(C)=O)C1c1ccc(C2N(C(C)=O)c3ccccc3N2C(C)=O)[nH]1 MOL12391
-O=C(OCCOCCOC(=O)c1c[nH]cc1-c1ccccc1)c1c[nH]cc1-c1ccccc1 MOL12392
-CCOC(=O)CNC(SC)=C(C#N)C#N MOL12393
-N#CC(C#N)=C1SCC(=O)CS1 MOL12394
-N#CC(C#N)=C1CCC2C(=C(C#N)C#N)CCC12 MOL12395
-N#CC(C#N)=C1NC(=O)C(c2ccccc2)C(=O)N1 MOL12396
-C=CCN1C(=O)C(=O)N(CC=C)C(=O)C1=O MOL12397
-CC(C)(C)Sc1nnc(SC(C)(C)C)c2c(SC(C)(C)C)nnc(O)c12 MOL12398
-N#CC(C#N)=C1NC(=O)CC(=O)N1 MOL12399
-CCOc1cc[n+]([C-](C#N)C#N)cc1 MOL12400
-CSc1nnc([C-](C#N)C#N)nn1.[Na+] MOL12401
-N#C[C-](C#N)[n+]1ccc(Cl)cc1 MOL12402
-CN(C=O)C=Cc1cc(O)ccc1O MOL12403
-CC(=O)NC=Cc1cc(O)ccc1O MOL12404
-Cc1cc(C)c2c(c1C)CN1CN2Cc2c(C)c(C)cc(C)c21 MOL12405
-Cc1cc(C)c2c(c1)CN1CN2Cc2cc(C)cc(C)c21 MOL12406
-COc1cc(C)c2c(c1)CN1CN2Cc2cc(OC)cc(C)c21 MOL12407
-Cc1ccc2c(c1)CNc1ccc(C)cc1CN2 MOL12408
-Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1c1ccccc1O MOL12409
-COC(=O)CCC(=O)N1Cc2cc(C)ccc2N(C(=O)CCC(=O)OC)Cc2cc(C)ccc21 MOL12410
-Cc1ccc2c(c1)CN(C(=O)CCC(=O)OCc1ccccc1)c1ccc(C)cc1CN2C(=O)CCC(=O)OCc1ccccc1 MOL12411
-Nc1ccc(S2(=O)=[O+][Ag-][n+]3cccnc3[NH2+]2)cc1 MOL12412
-NC1=C(C(=O)O)C(=O)C(Nc2c(O)cccc2C(=O)O)=CC1=O MOL12413
-COc1ccc2c(c1)OCC1c3cc(O)c(O)cc3OC21 MOL12414
-Cc1nc2ccccc2c(=O)n1Nc1ccc(C(=O)O)cc1 MOL12415
-Cc1nc2ccccc2c(=O)n1CC(=O)O MOL12416
-O=C1CCC23CC(C=CC=C12)n1c(=O)n(-c2ccccc2)c(=O)n13 MOL12417
-O=c1ncccn1C1OC(CO)C(O)C1F MOL12418
-CNc1ncnc2c1ncn2C1OC(CO)CC1F MOL12419
-O=C(Nc1ncnc2c1ncn2C1OC(CO)CC1F)c1ccccc1 MOL12420
-OC1CN2CCC(O)C2C(O)C1O MOL12421
-CCC12CN3CC(CC(C(=O)OC)(c4cc5c(cc4OC)N(C)C4C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN7CCC54C76)c4[nH]c5ccccc5c4CC3CC(C)=O)C1O2 MOL12422
-CCOP(=O)(Cc1ccc(CP(=O)(OCC)OCC)n1C)OCC MOL12423
-CC1=CC(O)(c2ccc(-c3ccccc3Cl)cc2)OC1=O MOL12424
-CC=CCC(C)C(O)C(NC)C(=O)O MOL12425
-CC12CCCCC1C(=O)C2(Cl)Cl MOL12426
-CC1C(=O)CCC1C(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1 MOL12427
-c1ccc(SC2CCC3CCCCC3O2)cc1 MOL12428
-CC1(C2CCC3(C)C(C2)C3Sc2ccccc2)OCCO1 MOL12429
-CC1CCCC(C)C(Sc2ccccc2)=C1Sc1ccccc1 MOL12430
-ON=CC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1 MOL12431
-ON=CC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1 MOL12432
-CN(C)CCN(C)CC(O)CO MOL12433
-CN(C)CCN(C)CC1COC(C)(C)O1 MOL12434
-CCCCCCCCCCCCC(=O)CCCCC(=O)O MOL12435
-CCCCCCCCCCCCC(CC)CCCCC(=O)O MOL12436
-CCCCCCCCC(=O)CCCCCCCCC(=O)O MOL12437
-CCCCCCCCC(C)CCCCCCCCC(=O)O MOL12438
-CCCCCCC(C)CCCCCCCCCCC(=O)O MOL12439
-CCC(O)CCCCCCCCCCCCCCC(=O)O MOL12440
-CCCCCCCCCCC(O)CCCCCCC(=O)O MOL12441
-CCCCCCCCCCC(C)CCCCCCC(=O)O MOL12442
-CCCCCCCCCCC(=O)CCCCCCC(=O)O MOL12443
-CCCCCCCCCCCCCCC(C)CCC(=O)O MOL12444
-CCCCCCC(C)CCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC(C)CCCCCC MOL12445
-CCCCCCCCC(C)CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(C)CCCCCCCC MOL12446
-CCCCCCCCCCC(C)CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(C)CCCCCCCCCC MOL12447
-CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)COCCOCCOCCOCCOCCOC)COP(=O)([O-])OCC[N+](C)(C)C MOL12448
-CCCCCCCCCCCCCCCCOCC(CN(C)CCN(C)C)OCCCCCCCCCCCCCCCC MOL12449
-CCCCCCCCCCCCCCCCCC(=O)OCC(CN(C)CCN(C)C)OC(=O)CCCCCCCCCCCCCCCCC MOL12450
-CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccccc1 MOL12451
-CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCC MOL12452
-CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC MOL12453
-CCCCCCCCCCCC(=O)OCCOCCOCCOCc1ccccc1 MOL12454
-CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCc1ccccc1 MOL12455
-CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccc(OC)cc1 MOL12456
-CCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccccc1 MOL12457
-CCCCCOCC(O)CO MOL12458
-CCCCCCCCOCC(O)CO MOL12459
-CCCCCCCCCCCCCCCCOC(=O)c1cc(OCCOP(=O)(O)O)cc(C(=O)OCCCCCCCCCCCCCCCC)c1 MOL12460
-CCCCCCCCCCCCC(CCCCCCCCCCCC)OP(=O)(O)O MOL12461
-CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OP(=O)(O)O MOL12462
-CCCCCCCCCCCCCCCCOC(=O)c1cc(O)cc(C(=O)OCCCCCCCCCCCCCCCC)c1 MOL12463
-O=C(Cc1ccccc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Cc1ccccc1 MOL12464
-Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1 MOL12465
-CCC(CO)COC(=O)C=CC(=O)OCC(CC)CO MOL12466
-CCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCC)cc1.[Br-] MOL12467
-CCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCC)cc1.[Br-] MOL12468
-CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCC)cc1.[Br-] MOL12469
-CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(C[N+](C)(C)CCCCCCCCCCCCCCCCCC)cc1.[Br-] MOL12470
-CCCCCCCCCCCCCCCCOP(=O)(O)Oc1ccc(C=Cc2ccc(OP(=O)(O)OCCCCCCCCCCCCCCCC)cc2)cc1.[NaH] MOL12471
-CCCCCCCCCCOC(=O)c1cc[n+](C)cc1.[I-] MOL12472
-CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(C)=O.[Br-] MOL12473
-C=C1CC2CC(O)CC(C1)C2 MOL12474
-CC(=O)OC1C2CCC1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MOL12475
-OC1CC2C=CCC(C1)C2 MOL12476
-O=C(O)C1CC2CC(=O)C1C2 MOL12477
-OCC1CC2CC1C1(C2)OCCO1 MOL12478
-OC1C2CCC1C1C3C=CC(C3)C21 MOL12479
-O=C(O)C1CC2C=CCC(C2)C1 MOL12480
-OCC1CC2C=CCC(C2)C1 MOL12481
-O=C(OCCO)C1CC2CC1C1(C2)OCCO1 MOL12482
-OC1C2C=CCC1CCC2 MOL12483
-Brc1ccccc1C1SCc2nc3ccccc3n21 MOL12484
-Fc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL12485
-Brc1cccc(C2SCc3nc4ccccc4n32)c1 MOL12486
-Brc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL12487
-Cc1cccc(C2SCc3nc4ccccc4n32)c1 MOL12488
-Clc1ccccc1C1SCc2nc3ccccc3n21 MOL12489
-Clc1cccc(C2SCc3nc4ccccc4n32)c1 MOL12490
-COc1cccc(C2SCc3nc4ccccc4n32)c1 MOL12491
-Clc1ccc(C2SCc3nc4ccccc4n32)c(Cl)c1 MOL12492
-Clc1cccc(C2SCc3nc4ccccc4n32)c1Cl MOL12493
-Clc1cccc(Cl)c1C1SCc2nc3ccccc3n21 MOL12494
-Fc1cccc(Cl)c1C1SCc2nc3ccccc3n21 MOL12495
-Fc1cccc(C2SCc3nc4ccccc4n32)c1F MOL12496
-Fc1ccc(C2SCc3nc4ccccc4n32)c(F)c1 MOL12497
-Fc1ccc(F)c(C2SCc3nc4ccccc4n32)c1 MOL12498
-Fc1cccc(F)c1C1SCc2nc3ccccc3n21 MOL12499
-CCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL12500
-CCOC(=O)NC(=O)c1cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL12501
-Cc1c(C#N)c(=O)[nH]c(=O)n1CCN1CCN(C(=O)NCCCCCCNC(=O)N2CCN(CCn3c(C)c(C#N)c(=O)[nH]c3=O)CC2)CC1 MOL12502
-CCc1c(C#N)c(=O)[nH]c(=O)n1CCN1CCN(C(=O)NCCCCCCNC(=O)N2CCN(CCn3c(CC)c(C#N)c(=O)[nH]c3=O)CC2)CC1 MOL12503
-CC1=CC2CC(C)=C(CCC3(C)CCC(C(C)C(=O)O)OO3)C(C)(C)C2CC1 MOL12504
-CC1=CC2CC3(C)OC(C4(C)CCC(C(C)C(=O)O)OO4)CC3C(C)(C)C2CC1 MOL12505
-CC(=CCCC1(C)CCC(C(C)C(=O)O)OO1)CCC1=C(C)CCCC1(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCC(C(C)C(=O)O)OO1 MOL12506
-CC(=CC=CC(C)CCCc1ccoc1)CCCC(C)C=C1OC(=O)C(C)=C1O MOL12507
-CC(=CC1C=C(C)C2CCC(C)C2C12OC(=O)C(C)=C2O)CCCc1ccoc1 MOL12508
-CCC=Cc1cc2c(c3[nH]ccc13)C(C)CC2C.CCC=Cc1cc2cc[nH]c2c2c1C(C)CC2C.CCc1cc2c(c3[nH]ccc13)C(C)CC2C MOL12509
-CCC=Cc1cc2cc[nH]c2c2c1C(C)CC2C MOL12510
-CCc1cc2c(c3[nH]ccc13)C(C)CC2C MOL12511
-C=CCCCCCCCC(O)C1CC(O)C(CCCCC)O1 MOL12512
-CN(C)CCCOc1c(Br)cc(CCN(C)C)cc1Br MOL12513
-COc1ccc(CC(=NO)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br MOL12514
-CCC(C)CC(C)CC(C)C=C(C)c1oc(=O)c(C)c(O)c1C.CCCC(C)CC(C)CC(C)C=C(C)c1oc(=O)c(C)c(O)c1C MOL12515
-CC1(C)OC2OC3CCC(=O)CC3(O)C2O1 MOL12516
-CC(=O)N1CCc2cc(S(C)(=O)=O)c3c(c21)CCC3 MOL12517
-CCOCc1cc(=O)c2cc3c(cc2o1)OC(C)(C)CC3 MOL12518
-CC1(C)CCc2cc3c(cc2O1)OCC1c2cc4c(cc2OC31)OCO4 MOL12519
-CC1(C)CCc2ccc(OCCC#N)cc2O1 MOL12520
-CC1(C)CCc2cc3c(cc2O1)OCCC3=O MOL12521
-CC1(C)CCc2cc3c(cc2O1)OCCC3O MOL12522
-O=C1OCc2cccc3c2-c2c1cccc2C(=O)OC3 MOL12523
-Cn1c(=O)nc2n(-c3ccc(Cl)cc3Cl)c3ccccc3nc-2c1=O MOL12524
-CC(=O)[OH+][Mn+2]12([OH+]C(C)=O)[N+](=C(c3ccccc3)c3cccc[n+]31)[N-]c1cccc[n+]12 MOL12525
-O=S(=O)([O-])[OH+][Fe-2]12[N+](=C(c3ccccc3)c3cccc[n+]31)[N-]c1cccc[n+]12 MOL12526
-CC(=O)[OH+][Ni-2]12[N+](=C(c3ccccc3)c3cccc[n+]31)[N-]c1cccc[n+]12 MOL12527
-CC(=O)[OH+][Zn-2]12[N+](=C(c3ccccc3)c3cccc[n+]31)[N-]c1cccc[n+]12 MOL12528
-O=C(c1ccc(O)cc1O)C1C(c2ccc(O)cc2)OC(c2ccc(O)cc2)C1C(=O)c1ccc(O)cc1O MOL12529
-CSc1c(S(C)=O)[nH]c2cc(Br)cc(Br)c12 MOL12530
-CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=CCO)CO MOL12531
-CC1=CCCC2C(C=O)(C1)CC(C)C2(CO)CCC(=CCO)CO MOL12532
-CC1=CCCC2C(C1)C(=O)CC(C)C2(C)CCC(=CCO)CO MOL12533
-CC1CC(=O)C2CC(CO)=CCCC2C1(C)CCC(=CCO)CO MOL12534
-Cc1cc(O)cc2c1CC=C1C(=O)C(C(C)C)=C(O)C(=O)C1=C2 MOL12535
-COc1cc(C)c2c(c1)C=C1C(=O)C(O)=C(C(C)C)C(=O)C1=CC2 MOL12536
-CC(=O)OC1CC2C(C)(C)CCCC2(C=O)C2=C1C(=O)C(C(C)C)=C(O)C2=O MOL12537
-CC(=O)OC1CC2C(C)(C)CCCC2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O MOL12538
-O=C(O)CCCCCCCC1SC1CCCCCCO MOL12539
-O=C(O)CCCCCCCC1SC1CCCCCCO MOL12540
-COC(=O)C=CC1C(C(=O)OC)C2(C(=O)OC)CCC1(C(=O)OC)N2 MOL12541
-COC(=O)C=CC1C(C(=O)OC)C2(C(=O)OC)CCC1(C(=O)OC)N2 MOL12542
-COC(=O)C=CC(=O)C1C(C(=O)OC)C2(C(=O)OC)CCC1(C(=O)OC)N2 MOL12543
-OCC1CC#CC=CC#CCC1CO MOL12544
-CC(O[Si](C)(C)C)C1C=CC(C)n2c(=O)n(-c3ccccc3)c(=O)n21 MOL12545
-COC(=O)C12C(=O)OC(C)C1(O)C(C)C(=O)N2C MOL12546
-CC1OC(=O)C2(CO)N(C)C(=O)C(C)C12O MOL12547
-C[PH](C)(C)[Ir+]123([PH](C)(C)C)([PH](C)(C)C)C4=C1CCC2=C3CC4.[Cl-] MOL12548
-C[PH](C)(C)[Ir+]12([PH](C)(C)C)([PH](C)(C)C)C3=C1CCC(Cc1ccccc1)[C-]2CC3 MOL12549
-C[PH](C)(C)[Ir+]12([PH](C)(C)C)([PH](C)(C)C)C3=C1CCC(C1C=Cc4ccccc41)[C-]2CC3 MOL12550
-C[PH](C)(C)[Ir+3]123([PH](C)(C)C)([PH](C)(C)C)C4=C1CCC2=C3CC4.[Cl-] MOL12551
-CCCCSC1CCSc2c1ccc1ccccc21 MOL12552
-COc1ccc(C(=O)O)c(Cc2ccc3ccccc3c2)c1 MOL12553
-C(=Cc1ccc2ccccc2c1Nc1ccccc1)c1ccccc1 MOL12554
-O=C(O)CC(O)(c1ccccc1C(=O)O)c1cccc2ccccc12 MOL12555
-O=C1OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2c1ccc1ccccc21 MOL12556
-CCOC(=O)CC1(c2cccc3ccccc23)OC(=O)c2ccccc21 MOL12557
-OCC(CO)C1c2cccc3ccc4cccc1c4c23 MOL12558
-COc1cccc2ccc3c(c12)C(=O)OC31CCc2c(C)cccc21 MOL12559
-COc1ccc2cccc(C(=O)c3ccc(C)c4c3CCC4)c2c1 MOL12560
-O=c1c2ccc3cccc4c(=O)cc(c5ccccc15)-c2c34 MOL12561
-COc1ccc2cccc(C(=N)c3ccc(C)c4c3CCC4)c2c1 MOL12562
-Cc1cccc2c1CC(=C1CCc3c(C)cccc31)C2=O MOL12563
-O=C1OC(c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c21 MOL12564
-COc1ccc(OC)c2c(C(=O)O)c(C(C)c3ccccc3)ccc12 MOL12565
-CCN(CC)C(=O)c1cccc2c(OC)ccc(OC)c12 MOL12566
-CC(=Cc1ccccc1)C(O)S(=O)(=O)O.[NaH] MOL12567
-COc1cccc(C(=O)O)c1Cc1cccc2ccccc12 MOL12568
-COc1ccc(C(=O)O)c(Cc2cccc3ccccc23)c1 MOL12569
-COc1cccc2c1C(=O)OC2c1cccc2ccccc12 MOL12570
-COc1ccc2cc(C(=O)c3ccccc3C(=O)O)ccc2c1 MOL12571
-CC(CCC(=O)O)c1ccc(Br)cc1 MOL12572
-CC(c1ccc(Br)cc1)C(C(=O)O)C(=O)O MOL12573
-CC1(C)COC(c2ccc(C(F)(F)F)cc2C(O)c2ccc3ccccc3c2)=N1 MOL12574
-O=C1OC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c21 MOL12575
-Cc1cccc2c1CCC21OC(=O)c2c1ccc1ccccc21 MOL12576
-Cc1cccc2c1C(=O)OC2(c1cccc2ccccc12)c1cccc2ccccc12 MOL12577
-Cc1cccc(C(=O)O)c1C(=O)c1cccc2ccccc12 MOL12578
-COc1cc(C)c(O)c(C(=O)O)c1 MOL12579
-Cc1ccc2c(c1)C(c1cccc3ccccc13)OC2=O MOL12580
-N#CCCCCCOCCOCCOCCOCCOCCCCCC#N MOL12581
-N#CC1CCCCOCCOCCOCCOCCOCCCCCC1=O MOL12582
-CC1(C)OC(COCCOCCCCCO)C(COCCOCCCCCO)O1 MOL12583
-CC(C)(C)c1cc(CCCCCCCC2(CCCCCCCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)OC(COCCOCCCCCC#N)C(COCCOCCCCCC#N)O2)cc(C(C)(C)C)c1 MOL12584
-CC(=O)C1(c2ccccc2)CCCN(C)CC1 MOL12585
-CC1(O)C2(c3ccccc3)CCC[N+]1(C)CC2.[Cl-] MOL12586
-O=CC1=CN2C(c3ccoc3)CCC(CO)C2CC1 MOL12587
-O=C(O)C1=Cc2cccc3cccc(c23)C1=O MOL12588
-CC12OOC(c3ccccc31)c1c2ccc2ccccc12 MOL12589
-Cc1c2ccccc2c(C)c2c3c(ccc12)C(=O)C=CC3=O MOL12590
-Cc1cc(C)c2c(c1)CSCc1cc(C)cc(C)c1-2 MOL12591
-COC(=O)c1ccccc1N(C(=O)c1ccccc1)c1ccccc1C MOL12592
-CCN(CC)CCCC(C)Nc1c2cc(OC)cc(C)c2nc2c(C)c(Cl)ccc12.Cl MOL12593
-COc1ccc(OC)c2c(C(=O)O)c(Cc3ccccc3)ccc12 MOL12594
-COc1ccc(OC)c2c3c(ccc12)C(c1ccccc1)OC3=O MOL12595
-COC(=O)C(=O)C1(CCC(C)=O)c2ccccc2-c2c(C)ccc(C)c21 MOL12596
-COC(=O)C(=O)C1(CCC(C)=O)c2ccccc2-c2ccccc21 MOL12597
-O=C1C(=O)C2(CC1S(=O)(=O)c1ccccc1)c1ccccc1-c1ccccc12 MOL12598
-N#CC1CC2(C(=O)C1=O)c1ccccc1-c1ccccc12 MOL12599
-CC(=O)c1cccc(C)c1C(=O)O MOL12600
-O=C1c2ccccc2C(Br)(Br)c2ccccc21 MOL12601
-Cc1cc(C)c(C(=O)O)c(N)c1O MOL12602
-Cc1ccccc1NC(=O)C=NO MOL12603
-O=S(=O)(O)C(O)C=Cc1ccccc1.[NaH] MOL12604
-Cc1cc([N+](=O)[O-])ccc1Nc1cccc(Cl)c1C MOL12605
-Cc1ccccc1C1OC(=O)c2ccc3ccccc3c21 MOL12606
-CCN(CC)C(=O)c1cccc2cccc(OC)c12 MOL12607
-COC(=O)c1cccc2c3ccccc3c3ccccc3c12 MOL12608
-Cc1ccc2c(c1-c1ccccc1)C(=O)OC2 MOL12609
-O=C1O[Hg]c2cccc3cccc1c23 MOL12610
-CC(=O)C1CC2(C(=O)C1=O)c1ccccc1-c1ccccc12 MOL12611
-CN(C)C=Nc1nc(=O)n(C2CCC(CO)O2)cc1F MOL12612
-O=C(C(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 MOL12613
-COc1ccc(C(=O)C(=NNc2ccccc2)c2ccc(OC)cc2)cc1 MOL12614
-O=C(C(=NNc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 MOL12615
-O=C(OC(=C(N=Nc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 MOL12616
-O=C(C(=NN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 MOL12617
-N#Cc1c(C(N)=O)ncn1Cc1ccccc1 MOL12618
-NCc1c(C(N)=O)ncn1Cc1ccccc1 MOL12619
-CC(=O)NCc1c(C(N)=O)ncn1Cc1ccccc1 MOL12620
-NC(=O)NCc1c(C(N)=O)ncn1Cc1ccccc1 MOL12621
-NC(=O)c1ncn(Cc2ccccc2)c1CNC(N)=S MOL12622
-O=C1CNC(=O)c2nc[nH]c2N1 MOL12623
-CN1CC(=O)N(C)c2[nH]cnc2C1=O MOL12624
-CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O MOL12625
-C=CC1C2=C(C(=O)NCC2)C2OC(O)C3=C(CCNC3=O)C2C1C MOL12626
-O=S(=O)(c1ccccc1)N1CCC1c1ccccc1 MOL12627
-Cc1ccc(S(=O)(=O)N2CCC2c2ccccc2)cc1 MOL12628
-CCn1c(=O)c(C(=O)O)c(Cl)c2cc3c(cc21)OCO3 MOL12629
-CN1C(=O)c2ccccc2NC(=O)c2cnn(C)c21 MOL12630
-N#CC12CCC1C1CCCCC12N1CCSCC1 MOL12631
-NC(=O)C12CCC1C1CCCCC12N1CCOCC1 MOL12632
-CCOC(=O)CC12CCCNC1(C)CCc1ccccc12.Cl MOL12633
-Br.CCOC(=O)CC12CCCNC1(C)CCc1ccccc12 MOL12634
-CC1=C(C)C(=O)c2c(cc3c4ccccc4ccn23)C1=O MOL12635
-CC1=C(C)C(=O)c2c(cc3ccccn23)C1=O MOL12636
-CC1=C(C)C(=O)c2c(cc3ccc4ccccc4n23)C1=O MOL12637
-CC(C)CCN=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 MOL12638
-O=C1CCCN1CCCN=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 MOL12639
-C=CCc1cccc(C=NNC(=N)NO)c1O.Cc1ccc(S(=O)(=O)O)cc1 MOL12640
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cc2c(cc1Cl)OCO2 MOL12641
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cc(Cl)cc(Cl)c1O MOL12642
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1c(O)cc(O)cc1O MOL12643
-CC(C)(C)OC1=C(OC(C)(C)C)C(O)(c2ccc(Cl)cc2)C1=O MOL12644
-CC(C)(C)OC1=C(OC(C)(C)C)C(O)(c2ccccc2)C1=O MOL12645
-NC(=O)C1C(=O)Oc2cccnc21 MOL12646
-CC1Cc2c(N)nc(N3CCOCC3)nc2NC1=O MOL12647
-CC1Cc2c(N)nc(NN)nc2NC1=O MOL12648
-C1CN(c2nnc(N3CCC3)nn2)C1 MOL12649
-COC(=O)C1(c2ccc(N(C)C)cc2OC)CC2CCCN(CCc3c1[nH]c1ccccc31)C2 MOL12650
-CC(CC(=O)N(C)C(CC(C)C(Cl)(Cl)Cl)c1nccs1)C(Cl)Cl MOL12651
-CCCCCCCCCCCCCC=CC(OC(=O)c1ccccc1)C(CO)N=[N+]=[N-] MOL12652
-CCCCCCCCCCCCCC=CC(OC(=O)c1ccccc1)C(CO)N=[N+]=[N-] MOL12653
-NC(=O)c1ncn(CCN2CCN(C(=O)NCCCCCCNC(=O)N3CCN(CCn4cnc(C(N)=O)c4N)CC3)CC2)c1N MOL12654
-CN(C)C(CN)CC1=C(CC(CN)N(C)C)CCC1 MOL12655
-CN(C)CC(CC1=C(CC(CN(C)C)N(C)C)CCC1)N(C)C MOL12656
-COC1(OC)CC2C(=O)N(Cc3ccccc3)C1CC2S(=O)(=O)c1ccccc1 MOL12657
-COC(=O)C1=CC2CC(C=C(c3ccccc3)C(=O)O1)C2 MOL12658
-O=c1ccc2ccc(O)c3c4c(O)ccc5ccc(=O)c(c1c23)c54 MOL12659
-C=C1CCC2(C(C)=O)COC1(C)O2 MOL12660
-COC(=O)C(C#N)=C1NN=NN1c1ccc(OC)cc1 MOL12661
-COC(=O)C(C#N)=C1NN=NN1CCCc1ccccc1 MOL12662
-COC(=O)C(C#N)=C1NN=NN1CCCN1CCOCC1 MOL12663
-c1ccc([Ge](c2ccccc2)(c2ccccc2)p2p3p([Ge](c4ccccc4)(c4ccccc4)c4ccccc4)p4p2p4p3[Ge](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL12664
-O=c1ncccn1C1OC(CO)C(O)C1F MOL12665
-CCC(=O)OCN(C)c1nc(N(C)COC(=O)CC)nc(N(C)COC(=O)CC)n1 MOL12666
-CN(COC(=O)c1ccccc1)c1nc(N(C)COC(=O)c2ccccc2)nc(N(C)COC(=O)c2ccccc2)n1 MOL12667
-CC(=O)OC1CCn2nnc(COC(=O)NC(C)C)c21 MOL12668
-CC(=O)OC1CCn2nnc(CO)c21 MOL12669
-CC(C)NC(=O)OCc1nnn2c1C(OC(=O)NC(C)C)CC2 MOL12670
-CC(=O)OCc1nnn2c1C(OC(C)=O)CC2 MOL12671
-CC(=O)OC1CCn2nnc(CO[Si](C)(C)C(C)(C)C)c21 MOL12672
-C=C1C(=O)CC23CCCC12CC(O)C3 MOL12673
-C=C1C(=O)CC23CCCC12CC(OCOC)C3 MOL12674
-O=C(O)C1C(C(=O)O)C2C3CC4C(C31)C42 MOL12675
-O=C(CO)C1CC2C=CC1C2 MOL12676
-CC(=O)NN=C1CC(C)(C)C2CCC1C2 MOL12677
-O=C(O)C1C2CC3CC2CC31 MOL12678
-O=C(O)C12CCCC(CCC1)C2 MOL12679
-OC(c1ccccc1)C1CC2C=CC1C2 MOL12680
-CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1 MOL12681
-OC12OC3(c4ccc(C(F)(F)F)cc4)C4C5CC(C6C5C3C61)C42 MOL12682
-CC12OC3(O)C4C5CC(C6C5C3C61)C42 MOL12683
-C[Si](C)(C)OC1(C#N)C2C3CC4C2C(=O)C2C4C3C21 MOL12684
-COc1cc2c(c(OC)c1)C1(CC(CC#N)C2)SCCS1 MOL12685
-O=C1C2C3CC4C5C3C1C5C1(SCCS1)C42 MOL12686
-C1CCOC2(CCC3(CC2)OCCCCO3)OC1 MOL12687
-C=CCP1(=O)OC(c2ccccc2)C(C)N1C MOL12688
-C=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C MOL12689
-C=CCP1(=O)OC(c2ccccc2)C(C)N1C(C)C MOL12690
-CC(C)N1C(C)C(c2ccccc2)OP1(=O)CC1=CCCCC1 MOL12691
-CC(C)N1C(C)C(c2ccccc2)OP1(=O)CC1=CCCCC1 MOL12692
-O=C(O)CSc1nnc(-c2ccc(O)cc2)[nH]1 MOL12693
-O=C1OC(CC(=O)c2ccc(Cl)cc2)C(Cl)=C1Cl MOL12694
-Cc1ccc(-c2nc(SCC(=O)O)n[nH]2)cc1 MOL12695
-NC(=O)n1ncc(Cl)c(Cl)c1=O MOL12696
-O=C(C(=O)n1ncc(Cl)c(Cl)c1=O)n1ncc(Cl)c(Cl)c1=O MOL12697
-O=C1OC(CC(=O)c2ccc(Cl)cc2Cl)C(Cl)=C1Cl MOL12698
-Oc1ccc(-c2nc(=S)[nH][nH]2)cc1 MOL12699
-O=C(O)C(Cl)=C(Cl)C=NNC(=O)c1cc2ccccc2cc1O MOL12700
-COC(=O)CSc1n[nH]c(-c2ccccc2)n1 MOL12701
-Cc1cccc(-c2nc(=S)[nH][nH]2)c1 MOL12702
-N=C(N)n1ncc(Cl)c(Cl)c1=O MOL12703
-O=C(CCc1n[nH]c(=S)[nH]1)Nc1cc(Cl)ccc1Cl MOL12704
-Cc1ccc(NC(=O)CCc2nc(=S)[nH][nH]2)cc1 MOL12705
-O=C(CCc1nc(=S)[nH][nH]1)Nc1ccc(Cl)c(Cl)c1 MOL12706
-O=C(CCc1nc(=S)[nH][nH]1)Nc1cc(Cl)c(Cl)cc1Cl MOL12707
-Cc1cccc(C(C)(C)C)c1NC(=O)CCc1n[nH]c(=S)[nH]1 MOL12708
-COc1ccc(C=c2sc3nnc(CCC(=O)Nc4cccc(C(F)(F)F)c4)n3c2=O)cc1 MOL12709
-O=C(CCc1nc(=S)[nH][nH]1)NC12CC3CC(CC(C3)C1)C2 MOL12710
-Cc1ccc(NC(=O)CCc2nnc3sc(=CC=Cc4ccccc4)c(=O)n23)cc1 MOL12711
-Cc1cccc(C)c1NC(=O)CCc1nnc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n12 MOL12712
-O=C(CCc1nnc2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1 MOL12713
-O=C(CCc1nnc2sc(=Cc3ccc(Cl)c(Cl)c3)c(=O)n12)Nc1ccc(Cl)c(Cl)c1 MOL12714
-CCc1cccc(C)c1NC(=O)CCc1nnc2sc(=Cc3cccc4ccccc34)c(=O)n12 MOL12715
-CCOc1ccccc1NC(=O)CCc1nnc2sc(=CCCc3ccccc3)c(=O)n12 MOL12716
-NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl MOL12717
-N#CCCn1c(CCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]c1=S MOL12718
-CCc1ccccc1NC(=O)CCc1n[nH]c(=S)[nH]1 MOL12719
-S=c1nc(COc2ccc(Cl)cc2)[nH][nH]1 MOL12720
-NC(=S)NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl MOL12721
-NNC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL12722
-CCOc1ccccc1NC(=O)CCC(=O)NN MOL12723
-NNC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3 MOL12724
-COC(=O)c1nn(C(=N)c2ccc(Cl)cc2)c2c1CCC2 MOL12725
-COC(=O)c1nn(C(=N)c2ccc(Cl)cc2)c2c1CCCCC2 MOL12726
-CC(NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 MOL12727
-O=C(CC1=Nc2nnc(-c3nnc4n3C(=O)C(CC(=O)c3cccnc3)=N4)n2C1=O)c1cccnc1 MOL12728
-CS(=O)(=O)CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CS(C)(=O)=O)=N4)n2C1=O MOL12729
-CCC(=O)C(C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(C(C)C(=O)CC)=N4)n2C1=O MOL12730
-O=C(CC1=Nc2nnc(-c3nnc4n3C(=O)C(CC(=O)C3CC3)=N4)n2C1=O)C1CC1 MOL12731
-COc1ccc(C(=O)CC2=Nc3nnc(CCCCCCCc4nnc5n4C(=O)C(CC(=O)c4ccc(OC)cc4)=N5)n3C2=O)cc1 MOL12732
-O=C(CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CC(=O)c3ccccc3)=N4)n2C1=O)c1ccccc1 MOL12733
-CC(O)C(NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 MOL12734
-CCCCCC(=O)C(C)C1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(C(C)C(=O)CCCCC)=N4)n2C1=O MOL12735
-Cc1ccc(C(=O)CC2=Nc3nnc(CCCCCCCc4nnc5n4C(=O)C(CC(=O)c4ccc(C)cc4)=N5)n3C2=O)cc1 MOL12736
-CCc1cc(C(=O)OC)cn1C(=N)c1ccc(Cl)cc1 MOL12737
-O=C(CC1=Nc2nnc(CCCCCCCc3nnc4n3C(=O)C(CC(=O)c3ccc5ccccc5c3)=N4)n2C1=O)c1ccc2ccccc2c1 MOL12738
-COC(=O)c1ccc(C(=O)OC)c2nc3cc(Cl)ccc3nc12 MOL12739
-O=S(=O)([O-])[OH+][Fe-2]12Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]c1cccc[n+]12 MOL12740
-CC(=O)[OH+][Ni-3]12([OH+]C(C)=O)Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2 MOL12741
-CC(=O)[OH+][Zn-2]12[OH+]c3c(Cl)cc(Cl)cc3C=[N+]1[N-]c1cccc[n+]12 MOL12742
-CC(=O)[OH+][Mn+2]12([OH+]C(C)=O)Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2 MOL12743
-CC(=O)[OH+][Cu-4]12([OH+]C(C)=O)Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2 MOL12744
-O=S(=O)([O-])[OH+][Fe-2]12Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2 MOL12745
-CC(=O)[OH+][Co-3]12([OH+]C(C)=O)Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2 MOL12746
-CC(=O)[OH+][Zn-3]12([OH+]C(C)=O)Oc3c(Cl)cc(Cl)cc3C=[N+]1[N-]C(c1ccncc1)=[O+]2 MOL12747
-CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4[nH]cnc34)CC2)c(=O)[nH]c1=O MOL12748
-CCOC(=O)NC(=O)c1cn(CCN2CCN(c3ncnc4nc[nH]c34)CC2)c(=O)[nH]c1=O MOL12749
-BrN1C2c3ccccc3C1c1ccccc12 MOL12750
-Cc1cc(C)c(S(=O)(=O)O)c(C)c1.c1ccc2c(c1)C1NC2c2ccccc21 MOL12751
-COc1ccccc1Cc1nc(-c2ccccc2)nn(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1=S MOL12752
-COc1ccc(Cc2nn(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)n(-c3ccc(OC)cc3)c2=O)cc1 MOL12753
-CCOc1ccc(NC(=O)C(=Cc2ccccc2)C(C)=O)cc1 MOL12754
-COc1ccc(NC(=O)C(=Cc2ccccc2)C(C)=O)cc1 MOL12755
-COC(=O)C1CC(C(=O)OC)c2nc3cc([N+](=O)[O-])ccc3nc21 MOL12756
-COC(=O)C1CC(C(=O)OC)c2nc3cc(C)ccc3nc21 MOL12757
-COC(=O)c1ccc(C(=O)OC)c2nc3cc(C)ccc3nc12 MOL12758
-COC(=O)C1CC(C(=O)OC)c2nc3cc(C)c(C)cc3nc21 MOL12759
-Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)c(C)c1 MOL12760
-Cc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 MOL12761
-CCOC(=O)C(=O)Nc1nc2ccc(OC)cc2s1 MOL12762
-COc1ccc(C(=O)C(C(=O)C(=O)Nc2nc3ccc(OC)cc3s2)c2ccc(OC)cc2)cc1 MOL12763
-Cc1ccc2nc(NC(=O)C(=O)CC(=O)c3cccc4ccccc34)sc2c1 MOL12764
-Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O MOL12765
-CCOC(=O)C(=O)Nc1c(C)cccc1C(C)C MOL12766
-CCOC(=O)C(=O)Nc1ccccc1C(C)C MOL12767
-CCOC(=O)C(=O)Nc1cc(Cl)ccc1Cl MOL12768
-O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1 MOL12769
-CCc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O MOL12770
-NC(=S)NN=C(CC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL12771
-Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CCC2=NNC(=O)c2cc3ccccc3cc2O)cc1C MOL12772
-Cc1ccccc1C(C#N)C(=NNC(=O)C(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 MOL12773
-Cc1cccc(C)c1NC(=O)C(=NNC(N)=S)C(C)C(=O)c1ccc(Cl)cc1 MOL12774
-Cc1ccc(NC(=O)C(=NNC(N)=S)C(C#N)c2ccccc2C)cc1C MOL12775
-CCC(C(=O)c1ccccc1)C(CCCC(=O)Nc1c(C)cccc1C)N=O MOL12776
-Cc1ccc(NC(=O)CCc2nc(N)nc(N)c2-c2ccccc2)cc1C MOL12777
-Cc1ccc(C)c(NC(=O)C(=NNC(N)=S)C(C#N)c2ccccc2)c1 MOL12778
-COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 MOL12779
-N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1nc([N+](=O)[O-])cs1 MOL12780
-Cc1cc(Cl)ccc1NC(=O)CCCC(=O)C1CC(=NO)CCC1=NO MOL12781
-Cc1nc(N)nc(CCC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccc(Cl)cc1 MOL12782
-Cc1cccc(C)c1NC(=O)CCCC(=O)C1C(=NNC(=O)CC#N)CCCC1=NNC(=O)CC#N MOL12783
-Cc1ccccc1C(C#N)C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(Cl)c1 MOL12784
-O=C(CCC(=O)C1CCCC1=NO)Nc1ccc(Cl)cc1 MOL12785
-N#CC(C(=NNC(N)=S)C(=O)Nc1cccc(Cl)c1)c1ccccc1 MOL12786
-Nc1nc(N)c(-c2ccccc2)c(CCC(=O)Nc2ccc(Cl)cc2)n1 MOL12787
-Cc1cc(O)c(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)c(=O)o1 MOL12788
-O=C(CCC(CC(=O)c1ccc(Cl)cc1)=NO)Nc1ccc(Cl)c(Cl)c1 MOL12789
-NC(=O)C(=O)NN=C1c2ccccc2CC1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 MOL12790
-CC(C(=NNC(=O)C(N)=O)c1c(Cl)ccc(Cl)c1O)C1(O)C(=O)Nc2ccccc21 MOL12791
-Cc1ccc(NC(=O)CCC(CC(=O)c2ccc(F)cc2)=NNC(=O)C(=O)NN)cc1C MOL12792
-Cc1ccccc1NC(=O)C(=NNC(=O)CC#N)C1C(=N)NN(c2ccccc2)C1=O MOL12793
-N#CC(C(=NNC(N)=S)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 MOL12794
-Cc1ccc(NC(=O)C(=NNC(=O)CC#N)C2C(=N)NN(c3ccccc3)C2=O)cc1C MOL12795
-N#CCC(=O)NN=C(C(=O)Nc1ccccc1)C1C(=N)NN(c2ccccc2)C1=O MOL12796
-Cc1ccc(NC(=O)CCC(CC(=O)c2ccc(Cl)cc2)=NNC(=O)C(=O)NN)cc1C MOL12797
-CN=c1ncn(C)c2ncn(CC=C(C)CCC3(C)C(C)CCC4(O)C3CCCC4(C)C)c12 MOL12798
-COc1cc2ccc(CC(=O)O)cc2cc1OC MOL12799
-O=C1CC(c2ccccc2)NCN1 MOL12800
-CC(C)CN1CC(C)C(=O)NC1=O MOL12801
-CC12OC(=O)C(C#N)C1(C)C1C(=O)CCCC12 MOL12802
-CC(=O)C1C(c2ccccc2)C2(C)OC(=O)C(C#N)C12C MOL12803
-Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1N MOL12804
-Cc1cc2c(=O)c3ccccc3[nH]c2c(C(N)=O)c1C MOL12805
-Cc1cc2c(=O)cc(-c3ccc(Cl)cc3Cl)oc2c(C(=O)O)c1C MOL12806
-Cc1cc2c(=O)cc(-c3ccc(Cl)c(Cl)c3)oc2c(C(=O)O)c1C MOL12807
-Cc1cc2c(=O)cc(-c3ccc(Cl)cc3)oc2c(C(=O)O)c1C MOL12808
-Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1[N+](=O)[O-] MOL12809
-Cc1cc2c(=O)cc(-c3ccc(F)cc3)oc2c(C(=O)O)c1C MOL12810
-Cc1cc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc2c(C(=O)O)c1C MOL12811
-Cc1cc2c(c(C(=O)O)c1C)-c1cccc(Cl)c1C2=O MOL12812
-Cc1cc2c(c(C(=O)O)c1C)-c1cccc(F)c1C2=O MOL12813
-Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(=O)O)c1C MOL12814
-CCN(CC)CCSc1c2ccccc2nc2c(OC)ccc(OC)c12 MOL12815
-CCSc1c2ccccc2nc2c(OC)ccc(OC)c12 MOL12816
-COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12 MOL12817
-COc1ccc(OC)c2c(=O)c3ccccc3[nH]c12 MOL12818
-CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21 MOL12819
-CCN(CC)CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21 MOL12820
-O=c1c2ccccc2[nH]c2c(O)ccc(O)c12 MOL12821
-CCN(CC)CCn1c2ccccc2c(=O)c2c(O)ccc(O)c21 MOL12822
-COc1ccc(C(=O)O)c2c(=O)c3ccccc3[nH]c12 MOL12823
-COc1ccc(C(=O)O)c2c(=O)c3cccnc3[nH]c12 MOL12824
-COc1cc(C)c2c(=O)c3c(oc2c1)C(=O)c1c(OC)c(OC)cc(OC)c1C3=O MOL12825
-Cc1ccc2c(c1)C1(C)OC(CC(N)C1O)O2.Cl MOL12826
-CC(=O)OC1CC2Oc3ccc(C)cc3C(C)(O2)C1=O MOL12827
-CC(=O)NC1CC2Oc3ccc(C)cc3C(C)(O2)C1O MOL12828
-O=C1C=CC(=CC=C2C=CN(CCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)O)C=C2)C=C1.[KH] MOL12829
-CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1 MOL12830
-CC(C)(C)c1nc2c(o1)C(=Nc1ccccc1)c1ccccc1C2=O MOL12831
-CC(C)(C)c1nc2c(o1)C(=Nc1ccc(F)cc1)c1ccccc1C2=O MOL12832
-Cl.Nc1nc(O)c2c(n1)NCC(CO)N2 MOL12833
-CCC(C)C1NC(=O)C2CCCN2C(=O)CNC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC1=O MOL12834
-O=C1C2C(c3ccccc3)=NN(C(=O)c3ccccc3)C2C(=O)N1c1ccccc1 MOL12835
-CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1 MOL12836
-OCC1=CC(NC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O MOL12837
-CN1NC2(CCCCC2)ON=C1c1ccccc1 MOL12838
-Cc1ccc(C2OC(COCc3ccc(Cl)cc3)C(OCc3ccc(Cl)cc3)C2O)cc1 MOL12839
-c1ccc(COCC2OC3c4ccccc4COC3C2OCc2ccccc2)cc1 MOL12840
-COC1OC(COCc2ccc(Cl)cc2)C(OCc2ccc(Cl)cc2)C1N=[N+]=[N-] MOL12841
-COC1OC(CO)C(O)C1N MOL12842
-OCC1OC2c3ccccc3COC2C1OCc1ccccc1 MOL12843
-CC(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(N)=O MOL12844
-Cc1[nH]c2c(C)cccc2c1C1Cc2ccccc2N1.Cl MOL12845
-COc1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1 MOL12846
-O=C1C(c2ccccc2)=[N+]([O-])c2ccccc21 MOL12847
-Cc1ccccc1C1=[N+]([O-])c2ccccc2C1=O MOL12848
-O=C1C(c2ccccc2)=[N+]([O-])c2ccc(Cl)cc21 MOL12849
-Cc1ccc(C2=[N+]([O-])c3ccccc3C2=O)cc1 MOL12850
-O=C1C(c2ccc(Cl)cc2)=[N+]([O-])c2ccccc21 MOL12851
-Cc1ccccc1[C-]1C(=O)c2cc(Cl)ccc2[N+]1=O MOL12852
-O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])ccc21 MOL12853
-O=C1C(c2ccc(Br)cc2)=[N+]([O-])c2ccccc21 MOL12854
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1.Cl MOL12855
-Cc1cccc2c1NC(c1c(C)[nH]c3ccccc13)C2.Cl MOL12856
-CC1=Nc2ccccc2C1C(Cc1ccccc1N)c1c(C)[nH]c2ccccc12.Cl MOL12857
-COC(=O)c1c(C(=O)OC)c(C(=O)OC)c2c([nH]c3ccccc32)c1C(=O)OC MOL12858
-C=CCCCn1ccc2ccccc21 MOL12859
-CC1(C)Cc2nnsc2C2=C1C(=O)CCS2 MOL12860
-CCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)SCS3 MOL12861
-COC1OC(COCc2ccc(Cl)cc2)C(OCc2ccc(Cl)cc2)C1O MOL12862
-COc1ccc2nc(-c3cccs3)cc(C(O)CN3CCSCC3)c2c1 MOL12863
-CC1CCC2(C)C(CC=C(C=O)C2(O)C=O)C12CO2 MOL12864
-COc1ccc(C2Oc3c(c(O)cc4c3C(c3ccc(O)cc3O)C(O)C(c3ccc(O)c(O)c3)O4)CC2O)cc1O MOL12865
-N#CN=C1C=CC(=C(C#N)C#N)C=C1 MOL12866
-S=C(NCCCCCCNC(=S)Nc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12 MOL12867
-O=C1OC(=O)C([Se]c2ccccc2)=C1[Se]c1ccccc1 MOL12868
-COC(=O)C([Se]c1c(C)cc(C)cc1C)=C([Se]c1c(C)cc(C)cc1C)C(=O)OC MOL12869
-COC(=O)C([Se]c1c(C)cc(C)cc1C)=C([Se]c1c(C)cc(C)cc1C)C(=O)OC MOL12870
-O=C(O)C(F)(F)F.O=C1C(Br)=CC2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O MOL12871
-Cl.c1ccc2c(c1)[nH]c1cnc3c4cccnc4[nH]c3c12 MOL12872
-COC1=C(C(=O)OC(C)(C)C)C23CCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C MOL12873
-CC(C)(C)OC(=O)C1=C(O)C(C(=O)OC(C)(C)C)C23CCCCC12C(C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C MOL12874
-COC12CCC(=O)N1C=Cc1c2[nH]c2ccccc12 MOL12875
-Cc1nc2c(o1)C(=Nc1ccccc1)c1nc(C)oc1C2=Nc1ccccc1 MOL12876
-Fc1ccc(N=C2C=CC(=Nc3ccc(F)cc3)c3ccccc32)cc1 MOL12877
-Cc1nc2c(o1)C(=Nc1ccc(I)cc1)c1ccccc1C2=Nc1ccc(I)cc1 MOL12878
-COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)C(O)CC(C)(O)C1 MOL12879
-COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)CC(C)(O)CC3O MOL12880
-COc1cc(C2c3cc4c(cc3C(NC(=O)c3cccs3)C3COC(=O)C23)OCO4)cc(OC)c1OC MOL12881
-COc1cc(C2c3cc4c(cc3C(NS(C)(=O)=O)C3COC(=O)C23)OCO4)cc(OC)c1OC MOL12882
-COc1cc(C2c3cc4c(cc3C(NCC(O)CO)C3COC(=O)C23)OCO4)cc(OC)c1OC MOL12883
-COc1cc(CNC2c3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C3C(=O)OCC23)OCO4)cc(OC)c1OC MOL12884
-O=C1OC2CCC3=CCC(c4ccccc4)C=C1C32 MOL12885
-CC1(C(=O)O)CCOc2ccccc21 MOL12886
-COc1cc(C2c3cc4c(cc3C(N)C3COC(=O)C23)OCO4)cc(OC)c1O MOL12887
-COc1ccccc1C12OC(=O)C1(C)Oc1ccccc1C2=O MOL12888
-CC1=C2C(=CC(C)(CO)C2O)C(=O)C(C)(O)C12CC2 MOL12889
-CC1=C2C(=CC(C)(C)C2O)C(=O)C(C)(O)C12CC2 MOL12890
-CC1=C2C(=O)C(C)(C)C=C2C(=O)C(C)(O)C12CC2 MOL12891
-CCC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21 MOL12892
-CC(C)CCC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21 MOL12893
-CC(C)CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21 MOL12894
-CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21 MOL12895
-CCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21 MOL12896
-O=C1C2c3[nH]c4ccccc4c3C3CCCC3C2C(=O)N1c1ccccc1 MOL12897
-O=C1C2c3[nH]c4ccccc4c3C3CCCCCCC3C2C(=O)N1c1ccccc1 MOL12898
-O=C1C2c3[nH]c4ccccc4c3C3CCCCCCCCCCC3C2C(=O)N1c1ccccc1 MOL12899
-O=C1C2c3[nH]c4ccccc4c3C3CCCCCC3C2C(=O)N1c1ccccc1 MOL12900
-O=C1C2c3[nH]c4ccccc4c3C3CCC(c4ccccc4)CC3C2C(=O)N1c1ccccc1 MOL12901
-CC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1 MOL12902
-O=C1NC(=O)C2C1c1[nH]c3ccccc3c1C1CCCC12 MOL12903
-CCCCN1C(=O)C2c3[nH]c4ccccc4c3C3CCCCC3C2C1=O.CCCCN1C(=O)C2c3[nH]c4ccccc4c3C3CCCCC3C2C1=O MOL12904
-Cn1c2c(c3ccccc31)C1CCCCC1C1C(=O)NC(=O)C21 MOL12905
-O=C1C2c3[nH]c4ccccc4c3C3CCCCC3C2C(=O)N1c1ccccc1 MOL12906
-O=C1C2c3[nH]c4ccccc4c3C3CCCCC3C2C(=O)N1c1ccccc1 MOL12907
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1 MOL12908
-Cn1c2c(c3ccccc31)C1CCCCCCC1C1C(=O)OC(=O)C21 MOL12909
-O=C1C=C(c2[nH]c3ccccc3c2C2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21 MOL12910
-O=C1C(c2ccc([N+](=O)[O-])cc2)=[N+]([O-])c2ccc([N+](=O)[O-])cc21 MOL12911
-O=C1C([C-]2C(=O)c3ccccc3[N+]2=O)=[N+]([O-])c2ccccc21 MOL12912
-O=C1C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 MOL12913
-O=C1C(c2ccccc2)=[N+]([O-])c2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc21 MOL12914
-O=C1C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 MOL12915
-CC(=O)N1C(=O)C(=O)c2cc(Cl)ccc21 MOL12916
-N#CC1(C2CC(=O)N(c3ccccc3)C2=O)CCCCC1=O MOL12917
-O=C1NC2CCC(C2)C1c1ccccc1 MOL12918
-CC12CC(C=O)C(=O)C(O)=C1CCC1C2CCC2(C)C1CCC2(C)O MOL12919
-CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C1CCC2(C)O MOL12920
-CC(=O)OC1CCC2C3CCC4C(=O)c5oncc5CC4(C)C3CCC12C MOL12921
-CC12CC(C#N)C(=O)C(O)=C1CCC1C2CCC2(C)C(O)CCC12 MOL12922
-CC(=O)OC1=C2CCC3C(CCC4(C)C(OC(C)=O)CCC34)C2(C)CC(C#N)C1=O MOL12923
-CC(=O)OC1CCC2C3CCC4=C(O)C(=O)C(C#N)CC4(C)C3CCC12C MOL12924
-CC(=O)OC1CCC2(C)C(=CCC3C(CC#N)C(C)(C#N)CCC32)C1 MOL12925
-CC(=O)C1CCC2C3CCC4c5nn(-c6ccccc6)nc5CCC4(C)C3CCC12C MOL12926
-CC12CCC(=O)C=C1CCC1C2CCC2(C)c3nn(-c4ccccc4)nc3CC12 MOL12927
-COc1ccc2c(C3(O)CCNCC3)c[nH]c2c1 MOL12928
-Cc1nc(=O)n2c(c1C(=O)Nc1ccc(Cl)cc1)NCC2.Cl MOL12929
-COc1ccc2[nH]c3c(cnn4cnnc34)c2c1 MOL12930
-CCn1cc(C=CC(C)c2cn(CC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL12931
-COC(=O)C=C1C2CC3CC(C2)C(O)C1C3 MOL12932
-COC(=O)C=C1C2CC3CC(C2)C(O)C1C3 MOL12933
-CC1(C)OC(=O)C(=C2CC(c3ccccc3)c3ccccc32)C(=O)O1 MOL12934
-CCOC(=O)C(=C=C=C(c1ccccc1)c1ccccc1)C(=O)OCC MOL12935
-CCOC(=O)C(C(=O)OCC)=C1C=C(c2ccccc2)c2ccccc21 MOL12936
-Brc1cc2c(cc1Br)CN(c1ccccc1)C2 MOL12937
-O=Cc1cc([N+](=O)[O-])no1 MOL12938
-CC1C(=O)c2c(cc(O)c(C3OC(CO)C(O)C(O)C3O)c2O)OC1c1ccc(O)c(O)c1 MOL12939
-O=C(C=Cc1ccc(O)cc1)OCC(O)COC1OC(CO)C(O)C(O)C1O MOL12940
-COC1=C(C(=O)OC(C)(C)C)C2(C)C(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2(C)C1C(=O)OC(C)(C)C MOL12941
-CCCCN1C(C)C=CC(C)[S+]1[O-] MOL12942
-CCCCN1C(C)C=CC(C)[S+]1[O-] MOL12943
-O=C1CCCC2(CCCC(=O)N2)C1 MOL12944
-COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C=C(C)OC3O MOL12945
-CC1=CC2c3cc(c(O)cc3O)C(=O)C3C(C=C(C)CC3c3ccc(O)cc3O)c3cc(c(O)cc3O)C(=O)C2C(c2ccc(O)cc2O)C1 MOL12946
-CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O MOL12947
-CC1(C)COC2C(N(Cc3ccccc3)Cc3ccccc3)C(=O)N21 MOL12948
-COC1C(NC(=O)OC(C)(C)C)C(=O)N1Cc1ccccc1 MOL12949
-CC(C)(C)OC(=O)NC1C(=O)N2CCCOC12 MOL12950
-CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1.NCCCCN MOL12951
-O=C(O)c1ccccc1NC(=O)C1CCCCC1 MOL12952
-O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 MOL12953
-O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 MOL12954
-COC(=O)c1ccc(Cl)cc1NC(=O)C1CCCCC1 MOL12955
-COC(=O)c1cc(Cl)ccc1NC(=O)C1CCCCC1 MOL12956
-Cl.Oc1nc(-c2ccccc2)nc2ccc(Cl)cc12 MOL12957
-O=[N+]([O-])c1ccc(-c2nc(O)c3cc(Cl)ccc3n2)cc1 MOL12958
-COc1ccc(-c2nc(O)c3cc([N+](=O)[O-])ccc3n2)cc1 MOL12959
-Oc1nc(C2CCCCC2)nc2cc(Cl)ccc12 MOL12960
-Oc1nc(C2CCCCC2)nc2ccc(Cl)cc12 MOL12961
-O=[N+]([O-])c1cc2nc(-c3ccccc3)nc(O)c2cc1C(Cl)=Cc1ccccc1 MOL12962
-O=[N+]([O-])c1cc2ncc(-c3ccccc3)c(O)c2cc1C(Cl)=Cc1ccccc1 MOL12963
-Clc1ccc2c(Cl)nc(-c3ccccc3)nc2c1 MOL12964
-Clc1ccc2nc(-c3ccccc3)nc(Cl)c2c1 MOL12965
-NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 MOL12966
-O=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12.[NaH] MOL12967
-Cc1nc(C(=O)O)c2ccccc2n1 MOL12968
-COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12 MOL12969
-COc1ccc(CC23CCC(=O)N2CCc2cc(OC)c(O)cc23)cc1O MOL12970
-COc1cc2c(cc1O)C1(Cc3ccc(OC)c(OC)c3)CCC(=O)N1CC2 MOL12971
-COc1cc2c(cc1O)CC13CCC(=O)N1CCc1cc(OC)c(O)c-2c13 MOL12972
-O=c1cc(CCc2ccccc2)oc2c(O)ccc(O)c12 MOL12973
-CSc1s[s+]c(SC)c1[O-] MOL12974
-COc1ccc2nc3ccccc3c(NCCCN(C)CCCl)c2c1.Cl MOL12975
-CCN(CCCl)CCCNc1c2ccccc2nc2ccc(OC)cc12.Cl MOL12976
-N#CCN1CCOCCOCCN(CC#N)CCOCCOCC1 MOL12977
-C1CN2CCO[SiH](O1)OCC2 MOL12978
-ClC[Si]12OCCN(CCO1)CCO2 MOL12979
-ClC(Cl)[Si]12OCCN(CCO1)CCO2 MOL12980
-ClCCC[Si]12OCCN(CCO1)CCO2 MOL12981
-N#CCCC[Si]12OCCN(CCO1)CCO2 MOL12982
-c1ccc(NC[Si]23OCCN(CCO2)CCO3)cc1 MOL12983
-C[Si]12OCCCN(CCO1)CCO2 MOL12984
-CC(C)C(=O)OCN(C)c1nc(N(C)COC(=O)C(C)C)nc(N(C)COC(=O)C(C)C)n1 MOL12985
-CN(COC(=O)C(C)(C)C)c1nc(N(C)COC(=O)C(C)(C)C)nc(N(C)COC(=O)C(C)(C)C)n1 MOL12986
-COc1ccc(C=CC(=O)NC2CCN3CCCC23)cc1 MOL12987
-CCCc1c(C)c(O)nc2c1C(=O)c1c(nc(O)c(C)c1CCC)C2=O MOL12988
-CCCOC1OC(CS(=O)(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.[NaH] MOL12989
-C=CCOC1OC(CS(=O)(=O)O)C(O)C(O)C1O.[NaH] MOL12990
-Nc1nc(Cl)nc2c1ncn2C1CCC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.[NaH] MOL12991
-COc1cc2[nH]c3c(c2cc1OC)CCNC31CCC2(CC3c4c(cc(OC)c(O)c42)CCN3C)CC1OC MOL12992
-COc1cc2[nH]c3c(c2cc1OC)CCNC31CCC2(CC3c4c(cc(OC)c(O)c42)CCN3C)CC1OC MOL12993
-O=C(O)CC(O)(CC(=O)O)C(=O)O MOL12994
-CC(=O)C=O MOL12995
-CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O MOL12996
-CC#CC#CC=C1C=CC2(OC=CC2OC(C)=O)O1 MOL12997
-CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1N=Nc1ccccc1C(=O)O MOL12998
-CC1=NN(C(=O)c2ccccc2Br)C(=O)C1N=Nc1ccccc1C(=O)O MOL12999
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1N=Nc1ccccc1C(=O)O MOL13000
-CC1=NN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(=O)C1N=Nc1ccccc1C(=O)O MOL13001
-CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C1N=Nc1ccccc1C(=O)O MOL13002
-CC1=NN(C(=O)c2ccccc2)C(C)C1N=Nc1ccccc1C(=O)O MOL13003
-Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccccc3)c2C)c1 MOL13004
-Cc1ccc(C(=O)n2nc(C)c(N=Nc3ccccc3)c2C)cc1 MOL13005
-Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccccc3Cl)c2C)c1 MOL13006
-Cc1cccc(N=Nc2c(C)nn(C(=O)c3ccc(O)cc3)c2C)c1 MOL13007
-Cc1nn(C(=O)c2c(O)cccc2Br)c(C)c1N=Nc1ccccc1 MOL13008
-Cc1nn(C(=O)c2c(O)cccc2Cl)c(C)c1N=Nc1ccccc1 MOL13009
-CC(=O)N1C(C(=O)O)CSC1c1ccc(F)cc1 MOL13010
-CC(=O)N1C(C(=O)O)CSC1c1ccncc1 MOL13011
-COc1cc2ccc(CC#N)cc2cc1OC MOL13012
-COc1cc(OC)c(C#N)c(OC)c1C MOL13013
-O=C(NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O MOL13014
-CC(C(=O)O)C(=Cc1ccc2c(c1)OCO2)C(=O)O MOL13015
-Oc1nc2c3ccccc3ccc2c2cc3c(cc12)OCO3 MOL13016
-CCOC(=O)NC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)NCCCN2CCN(CCCNC(=O)CNC(=O)CNC(=O)Cn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O MOL13017
-CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CNC(=O)CNC(=O)Cn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O MOL13018
-CCOC(=O)NC(=O)c1cn(CCCCCCCCCCC(=O)NCCCN2CCN(CCCNC(=O)CCCCCCCCCCn3cc(C(=O)NC(=O)OCC)c(=O)[nH]c3=O)CC2)c(=O)[nH]c1=O MOL13019
-COc1cc(O)c2c(c1C)C(C)(O)c1c(C)coc1C2=O MOL13020
-C=C1c2c(C)coc2C(=O)c2c(O)cc(OC)c(C)c21 MOL13021
-OC1CC(O)OC(c2ccccc2)C1 MOL13022
-CC(C)=CCc1c(O)ccc2c1OC1c3ccc(O)c(CC=C(C)C)c3OCC21 MOL13023
-COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2 MOL13024
-COc1cc(O)c2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3 MOL13025
-COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2 MOL13026
-COc1cc(O)c2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3 MOL13027
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3 MOL13028
-COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1C(C2)N(C)CC3 MOL13029
-COc1ccc2cc1Oc1ccc(cc1)CC1NCCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1CCN(C)C3C2 MOL13030
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1CCN(C)C3C2 MOL13031
-COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4c5cc(OC)c(OC)cc5CCN4C)ccc3OC)cc1)N(C)CC2 MOL13032
-COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1cc5c(c(c1)Oc1ccc(cc1)CC3N(C)CC2)OCO5)N(C)CC4 MOL13033
-COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCNC5C2)CCN1C MOL13034
-COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4 MOL13035
-COC1=CC2=C3C(Cc4cc5c(c(c4)Oc4ccc(cc4)CC4c6cc7c(cc6CCN4C)OCC3(O7)C1=O)OCO5)N(C)CC2 MOL13036
-COc1ccc(C2C(Cl)C(=O)N2c2ccc(OC)cc2)cc1 MOL13037
-CCN(c1ccccc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)C1c1ccc(OC)cc1 MOL13038
-CN(c1ccccc1)C1C(=O)N(c2ccccc2)C1C=Cc1ccccc1 MOL13039
-CCOC(=O)N1CCC(=O)CC1CC=CP1(=O)OC(c2ccccc2)C(C)N1C(C)C MOL13040
-CC(C)N1C(C)C(c2ccccc2)OP1(=O)C=CCC1CC(=O)CCN1Cc1ccccc1 MOL13041
-CCCC[Sn](CCCC)(CCCC)CN1CCC(=O)CC1CC=CP1(=O)OC(c2ccccc2)C(C)N1C(C)C MOL13042
-Cc1c(CN2CCCC2)c(O)c2c(=O)c3c(O)c(CN4CCCC4)c(O)c4c5c(O)c(CN6CCCC6)c(O)c6c(=O)c7c(O)c(CN8CCCC8)c(C)c8c1c2c(c34)c(c78)c65 MOL13043
-Cc1c(CN2CCN(C)CC2)c(O)c2c(=O)c3c(O)c(CN4CCN(C)CC4)c(O)c4c5c(O)c(CN6CCN(C)CC6)c(O)c6c(=O)c7c(O)c(CN8CCN(C)CC8)c(C)c8c1c2c(c34)c(c78)c65 MOL13044
-Cc1c(CSCC(=O)O)c(O)c2c(=O)c3c(O)c(CSCC(=O)O)c(O)c4c5c(O)c(CSCC(=O)O)c(O)c6c(=O)c7c(O)c(CSCC(=O)O)c(C)c8c1c2c(c34)c(c78)c65 MOL13045
-COC1=C(C)C2CC(=O)OC3CC4C(C)CC(O)C(=O)C4(C)C(C1=O)C32C MOL13046
-COC1=C(C)C2CC(=O)OC3CC4C(C)CC(OC(C)=O)C(=O)C4(C)C(C1=O)C32C MOL13047
-C=C1CC2OC(=O)C(=C)C2C(O)C2C(=C)CCC12 MOL13048
-C=C1C(=O)OC2C1C(OC(C)CCC)C(O)C(C)C(O)C1OC1(C)C2O MOL13049
-C=C1C(=O)OC2C1CCC(C)C1(O)C(O)CC(=O)C21C MOL13050
-CC1CCC2C(CN(C)C)C(=O)OC2C2(C)C(=O)C=CC12O MOL13051
-CC1CCC2C(CN3CCCCC3)C(=O)OC2C2(C)C(=O)CC(N3CCCCC3)C12O MOL13052
-C=C1C(=O)OC2C1CCC(C)=C1C=CC(=O)C12C MOL13053
-C=C1C(=O)OC2C1CCC(C)C13OC(=O)CC1C23C MOL13054
-CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC.[NaH] MOL13055
-CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 MOL13056
-CCCNC(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1 MOL13057
-CCCNC(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1 MOL13058
-CCCNC(=O)N(CCC)S(=O)(=O)c1ccc(Cl)cc1 MOL13059
-CCCNC(=O)N(C(C)C)S(=O)(=O)c1ccc(Cl)cc1 MOL13060
-CCCCN(C(=O)NCCC)S(=O)(=O)c1ccc(Cl)cc1 MOL13061
-CCCNC(=O)N(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1 MOL13062
-CCCNC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 MOL13063
-CCCNC(=O)N(CC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 MOL13064
-CCCN(C)C(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1 MOL13065
-CCCNC(=O)N(CCN(C)C)S(=O)(=O)c1ccc(Cl)cc1 MOL13066
-CNC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 MOL13067
-CCCNC(=O)N1C(=O)c2ccccc2S1(=O)=O MOL13068
-CCCNC(=O)SCc1ccccc1 MOL13069
-COc1ccc(C2C(C)C(=O)C(C)C(c3ccc(OC)cc3)N2N=O)cc1 MOL13070
-CC1C(=O)C(C)C(c2ccccc2)N(N=O)C1c1ccccc1 MOL13071
-O=NN1C(c2ccccc2)CCCC1c1ccccc1 MOL13072
-COc1ccc(C2C3CCCC(C3=O)C(c3ccc(OC)cc3)N2N=O)cc1 MOL13073
-CC1C(=O)C(C)C(c2cccs2)N(N=O)C1c1cccs1 MOL13074
-CC1C(=O)C(C)C(c2ccco2)N(N=O)C1c1ccco1 MOL13075
-CC1C(=O)CC(c2cccs2)N(N=O)C1c1cccs1 MOL13076
-O=NN1C(c2ccccc2)C2CCCC(C2=O)C1c1ccccc1 MOL13077
-CC1NC(=O)C(C)C(c2ccccc2)N(N=O)C1c1ccccc1 MOL13078
-CC(C)C1NC(=O)CC(c2ccccc2)N(N=O)C1c1ccccc1 MOL13079
-CC1NC(=O)CC(c2ccccc2)N(N=O)C1c1ccccc1 MOL13080
-O=NN1C(c2ccccc2)CNC(=O)CC1c1ccccc1 MOL13081
-Cc1ccccc1C1SCc2nc3ccccc3n21 MOL13082
-FC(F)(F)c1ccccc1C1SCc2nc3ccccc3n21 MOL13083
-FC(F)(F)c1cccc(C2SCc3nc4ccccc4n32)c1 MOL13084
-FC(F)(F)c1ccc(C2SCc3nc4ccccc4n32)cc1 MOL13085
-Fc1cccc(C2SCc3nc4ccccc4n32)c1 MOL13086
-Fc1ccccc1C1SCc2nc3ccccc3n21 MOL13087
-Clc1cc(Cl)cc(C2SCc3nc4ccccc4n32)c1 MOL13088
-Oc1cccc(C2SCc3nc4ccccc4n32)c1 MOL13089
-O=[N+]([O-])c1ccc(Cl)c(C2SCc3nc4ccccc4n32)c1 MOL13090
-O=[N+]([O-])c1cc(C2SCc3nc4ccccc4n32)ccc1Cl MOL13091
-O=[N+]([O-])c1ccc(Cl)cc1C1SCc2nc3ccccc3n21 MOL13092
-CC12C=CC3(CCC4C(C)(CO)CCCC4(C)C3CC1)C2 MOL13093
-CC1(Cl)CCC2(CC(Br)=CC3OC32C)CC1Br MOL13094
-CC(=O)Oc1cc(C)c2c(c1OC(C)=O)CC1(O2)C(C)CCC2C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C MOL13095
-CC(=O)OC1CCC2(C)C(CCC3(C)C4Cc5cc(O)cc(C)c5OC4(C)CCC32)C1(C)C MOL13096
-CCCCCCCCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1 MOL13097
-CC(Cl)(C=CCl)C(Cl)C=CC(Cl)(CCl)CBr MOL13098
-CC(NC(=O)C(C)NC(=O)C(N)CCP(C)(=O)O)C(=O)O MOL13099
-Oc1cc(O)c2c(-c3c(O)c(-c4ccc(O)c(O)c4)[o+]c4cc(O)cc(O)c34)c(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-] MOL13100
-Cc1cc(O)c2cnncc3c(O)cc(C)c4c(=O)oc5c(CO)c(O)c(C(=O)O)c(cnncc6c(C(=O)O)c(O)c(CO)c7oc(=O)c1c2oc67)c5oc34 MOL13101
-CC1OC(OCC2COC(O)(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C2O)C(O)C(O)C1O MOL13102
-Oc1ccc(C2Oc3cc(O)cc4c3C(=[O+][AlH3-3]35([O+]=C6c7c(cc(O)cc7[OH+]3)OC(c3ccc(O)cc3O)C6O)([O+]=C3c6c(cc(O)cc6[OH+]5)OC(c5ccc(O)cc5O)C3O)[OH+]4)C2O)c(O)c1 MOL13103
-Cc1nc(=N)[nH]n1C1OCC(O)C(O)C1O MOL13104
-CC(=O)OC1C(CCl)OC(N=[N+]=[N-])C(OC(C)=O)C1OC(C)=O MOL13105
-COc1ccc(C=NNC(=N)N)c(C(=O)O)c1OC.O=[N+]([O-])O MOL13106
-OCC(O)C(O)C(O)C1SC(c2ccccc2)=NN1c1ccccc1 MOL13107
-O=C(C=Nc1ccccc1S)c1ccco1 MOL13108
-O=C1[OH+][Zn-4]234([O+]=C(c5cccs5)C=[N+]2c2ccccc21)[O+]=C(c1cccs1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL13109
-C1=[N+]2c3ccccc3[SH+][Cu-5]234([O+]=C1c1ccco1)[O+]=C(c1ccco1)C=[N+]3c1ccccc1[SH+]4 MOL13110
-C1=[N+]2c3ccccc3[SH+][Ni-4]234([O+]=C1c1ccco1)[O+]=C(c1ccco1)C=[N+]3c1ccccc1[SH+]4 MOL13111
-C1=[N+]2c3ccccc3[SH+][Co-4]234([O+]=C1c1ccco1)[O+]=C(c1ccco1)C=[N+]3c1ccccc1[SH+]4 MOL13112
-C1=[N+]2c3ccccc3[SH+][Zn-4]234([O+]=C1c1ccco1)[O+]=C(c1ccco1)C=[N+]3c1ccccc1[SH+]4 MOL13113
-O=C1[OH+][Cu-5]234([O+]=C(c5cccs5)C=[N+]2c2ccccc21)[O+]=C(c1cccs1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL13114
-O=C1[OH+][Ni-4]234([O+]=C(c5cccs5)C=[N+]2c2ccccc21)[O+]=C(c1cccs1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL13115
-O=C1[OH+][Co-4]234([O+]=C(c5cccs5)C=[N+]2c2ccccc21)[O+]=C(c1cccs1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL13116
-NC1CCCCC1.O=C(O)C1(P(=O)(O)O)CC1 MOL13117
-O=C(O)C1(C(=O)O)CC1 MOL13118
-NC1CCCCC1.O=P(O)(O)C(CSc1ccccc1)P(=O)(O)O MOL13119
-CCCSCC(P(=O)(O)O)P(=O)(O)O.NC1CCCCC1 MOL13120
-CC1=CC2=C(OCO1)C(=O)c1ccccc1C2=O MOL13121
-CC(=O)NC1(C)C2CCC3(C)N=C(C)C1CC3C2 MOL13122
-CCOC(=O)C(O)=C1C(=O)N(C)C(=O)C1c1cccc(OC)c1 MOL13123
-CCOC(=O)C(O)=C1C(=O)N(C)C(=O)C1c1ccc(OC)c(OC)c1 MOL13124
-CCCN1C(=O)C(=C(O)C(=O)OCC)C(c2ccc(OC)c(OC)c2)C1=O MOL13125
-O=C1NC(Cc2ccccc2)C(=O)N2CCCCC12 MOL13126
-Cc1nn2c(=O)n(-c3cccc(-n4nnc5c(-c6ccccc6)c(C)nn5c4=O)c3C)nnc2c1-c1ccccc1 MOL13127
-OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 MOL13128
-Clc1ccc(C(c2ccc(Cl)cc2)c2cncnc2)cc1 MOL13129
-CC1NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(C)NC1=O MOL13130
-N#Cc1cc(NC(=O)c2ccccc2)c(=O)n2c1[nH]c1ccccc12 MOL13131
-CCOC(=O)c1cc(C(=O)O)c(=O)n2c1[nH]c1ccccc12 MOL13132
-N=c1ccn(C=C=CCO)c(=O)[nH]1 MOL13133
-CC1(C)C2CCC13CS(=O)(=O)N=C3C2 MOL13134
-Nc1cccc(S(=O)(=O)NCC(=O)O)c1 MOL13135
-CN(C)c1cccc2c(S(=O)(=O)NCC(=O)O)cccc12 MOL13136
-O=C(O)CNS(=O)(=O)c1ccc(NCc2ccccc2)cc1 MOL13137
-O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 MOL13138
-O=C(O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL13139
-COc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1 MOL13140
-COc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1 MOL13141
-O=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 MOL13142
-O=C(O)C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 MOL13143
-O=C(O)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL13144
-O=C(O)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL13145
-O=C(O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 MOL13146
-O=C(O)C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 MOL13147
-COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1 MOL13148
-O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 MOL13149
-O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 MOL13150
-O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL13151
-O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 MOL13152
-O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 MOL13153
-NCCOCCOCC(=O)O MOL13154
-NCCCOCC(=O)O MOL13155
-NCCCSCC(=O)O MOL13156
-O=C(O)CCSCCCN1C(=O)c2ccccc2C1=O MOL13157
-CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C MOL13158
-COc1ccc(C=CCO)cc1OC MOL13159
-COc1ccc(C=CCOC(C)=O)cc1OC MOL13160
-COc1ccc(C=CCN(C)CCc2ccccc2)cc1OC MOL13161
-CC=CC(=O)C(O)C(C)C MOL13162
-CC=CC(=O)C(O)C(C)(C)C MOL13163
-Nc1ccccc1S(=O)(=O)N(CC(=O)O)c1ccccc1 MOL13164
-Nc1cccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)c1 MOL13165
-COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1 MOL13166
-Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2)cc1 MOL13167
-O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL13168
-O=C(O)CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL13169
-O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL13170
-COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 MOL13171
-Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1 MOL13172
-Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1 MOL13173
-Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1 MOL13174
-O=C(O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 MOL13175
-O=C(O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 MOL13176
-O=C(O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 MOL13177
-O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 MOL13178
-O=C(O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL13179
-O=C(O)CCNS(=O)(=O)c1ccc2ccccc2c1 MOL13180
-O=C(O)CCCNS(=O)(=O)c1ccccc1 MOL13181
-O=C(O)CCCNS(=O)(=O)c1ccc2ccccc2c1 MOL13182
-COc1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 MOL13183
-CN(CC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 MOL13184
-CN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1 MOL13185
-CN(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 MOL13186
-Cc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1 MOL13187
-Cc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1 MOL13188
-COc1ccc(S(=O)(=O)NC(C)C(=O)O)cc1 MOL13189
-CC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O MOL13190
-CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O MOL13191
-CCOC(=O)C1NS(=O)(=O)NC(C(=O)OCC)NS(=O)(=O)N1 MOL13192
-N[Pt-2]1(N)[OH+]C(=O)P(=O)([O-])[OH+]1.[Na+] MOL13193
-O=C1[OH+][Pt-2]2(NC3CCCCC3N2)[OH+]P1(=O)[O-].[Na+] MOL13194
-S=CN1CCN(C=S)CC1 MOL13195
-Nc1ccc2c(c1)C1=NNC(=O)CC1C2 MOL13196
-Nc1cccc2c1C1=NNC(=O)CC1C2 MOL13197
-Oc1nnc(O)c2nc3c(nc12)c1nc2c(O)nnc(O)c2nc1c1nc2c(O)nnc(O)c2nc31 MOL13198
-OCCCCn1cnc2c(O)ncnc21 MOL13199
-S=C1NC(c2ccccc2)=NC(Cc2ccccc2)(c2ccccc2)N1c1ccccc1 MOL13200
-O=C(Nc1ccccc1)N1C(c2ccccc2)=NC(c2ccccc2)C1c1ccccc1 MOL13201
-CC1(C(=O)NCCN(CCNC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CCNC(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CC2(C)CC(C)(C1)C(=O)NC2=O MOL13202
-CC(=O)C1Cn2c(nc3ccccc32)C[Se]1 MOL13203
-O=C(O)c1cc2c3c(c1)C1C=CCC1CN3CC1CC=CC21 MOL13204
-COC1(O)c2cccc(Cl)c2C(=O)N1C1(C(N)=O)CCCCC1 MOL13205
-CC(=O)OCC(COC(=O)C=Cc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1O MOL13206
-COC(=O)c1cc2c(nc1C)-c1ccccc1OS2(=O)=O MOL13207
-COC1OC(CS(=O)(=O)O)C(O)C(O)C1O.COC1OC(CS(=O)(=O)O)C(O)C(O)C1O MOL13208
-CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O MOL13209
-CN(C)c1ncnc2c1ncn2C1OC(CO)C(O)C1O MOL13210
-Nc1ncnc2c1ncn2C1OC(CO)CC1O MOL13211
-Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O MOL13212
-CN1CCN(C)C12C=CC=CC21CC1 MOL13213
-CN1CCN(C)C12C=c1ccccc1=CC21CC1 MOL13214
-C[Si](C)(C)N=C1N2C(=NC1(C(F)(F)F)C(F)(F)F)Sc1ccccc12 MOL13215
-FC(F)(F)c1nc(-c2ccccc2)oc1Sc1oc(-c2ccccc2)nc1C(F)(F)F MOL13216
-FC(F)(F)c1nc(-c2ccccc2)oc1Sc1nnc(Sc2oc(-c3ccccc3)nc2C(F)(F)F)s1 MOL13217
-CCOC(=O)c1c[nH]c2cc3c(cc2c1=O)CCS3(=O)=O.CCOC(=O)c1c[nH]c2ccc3c(c2c1=O)S(=O)(=O)CC3 MOL13218
-Cl.NCC(=CC(=O)O)c1ccc(Cl)cc1 MOL13219
-CC(NC1CC1)c1ccccc1.Cl MOL13220
-CCSC1(C)C(=O)c2ccccc2C(=O)C1(C)O MOL13221
-C=CCC(C)(C(=O)NCCC)C(=O)c1ccccc1O MOL13222
-CCCNC(=O)C(C)(Cl)C(=O)c1ccccc1O MOL13223
-CCSC(=O)C1(C)OC2CCCCC2C1=O MOL13224
-CCSC(=O)C1(C)Cc2ccccc2O1 MOL13225
-CCOC(=O)c1cc(=O)n(C)c(=O)n1C MOL13226
-Cc1c(C(=O)O)n(C)c(=O)n(C)c1=O MOL13227
-COC(=O)c1c(C)c(=O)n(C)c(=O)n1C MOL13228
-CN(Cc1ccccc1)C1(N(C)Cc2ccccc2)CC1 MOL13229
-NC(CSCCCO)C(=O)O MOL13230
-O=C1CC(C(NC(=O)OCc2ccccc2)C(=O)O)ON1 MOL13231
-O=C1CC(C(NC(=O)OCc2ccccc2)C(=O)O)ON1 MOL13232
-O=C(O)CC(Cl)C(NC(=O)OCc1ccccc1)C(=O)O MOL13233
-O=C(O)CC=C(C(=O)O)N1C(=O)c2ccccc2C1=O MOL13234
-O=C(CC(Cl)C(NC(=O)OCc1ccccc1)C(=O)O)NO MOL13235
-O=C(O)CC(Cl)C(NC(=O)OCc1ccccc1)C(=O)O MOL13236
-NC(C(=O)O)C(Cl)CC(=O)O MOL13237
-NC(C(=O)O)C(Cl)CC(=O)O MOL13238
-CC1=C(CC=Cc2ccccc2)C(=O)c2ccccc2C1=O MOL13239
-COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)C(=O)OC MOL13240
-CCOC(=O)C=C(CN1C(=O)c2ccccc2C1=O)c1ccccc1 MOL13241
-COC(=O)C=C(CNC(=O)OCc1ccccc1)c1ccccc1 MOL13242
-CCOC(=O)C1CC=CC(NC(=O)OC(C)(C)C)C1(c1ccccc1)[N+](=O)[O-] MOL13243
-O=P(O)(O)c1cc(O)nc(O)n1 MOL13244
-NC(=O)CCC(NC(=O)C(F)(F)F)C(=O)O MOL13245
-O=C(O)c1cc(O)nc(O)n1.[NaH] MOL13246
-CC1(C)Cc2cc(C(=O)O)c3c(c2C1=O)COCC3 MOL13247
-C#CC1OC(C)(C)OC1C1OC(C)(C)OCC1O MOL13248
-C#CC1OC(C)(C)OC1C1OC(C)(C)OCC1O MOL13249
-CCCCn1cc[n+](-c2nc3ccccc3n2C)c1.[I-] MOL13250
-CCCCN1C=CN2c3nc4cc(C)c(C)cc4n3C(C(=O)OC)=C(C(=O)OC)C12 MOL13251
-O=C1C=CC2=[N+]([O-])C(c3ccccc3)(c3ccccc3)C(=Nc3ccccc3)C2=C1 MOL13252
-CC(C(=O)O)c1cnn(-c2ccccc2)c1-n1cccc1 MOL13253
-CN1Cc2ccccc2C2(COc3ccccc3C2=O)C1 MOL13254
-CN1Cc2ccccc2C2(COc3ccc(C=O)cc3C2=O)C1 MOL13255
-CN(C)C=C1C(Cl)=C(C=O)CC(C=O)=C1Cl MOL13256
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1 MOL13257
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c(=O)c2c1 MOL13258
-CNC(C)C(N)c1ccccc1.Cl MOL13259
-CNC(C)C(N)c1ccccc1.O=C(O)C(O)C(O)C(=O)O MOL13260
-CNC(C)C(NC)c1ccccc1.Cl MOL13261
-CNC(C)C(NC)c1ccccc1.Cl MOL13262
-O=S1(=O)CCCCS1 MOL13263
-CC1(CO)C2CC3CN(C(=O)c4ccccc4)C(C2)C31C MOL13264
-CC1(CO)C2CC3CN(C(=O)c4ccccc4)C(C2)C31C MOL13265
-CCOC(=O)C12CC(C#N)C1N(Cc1ccccc1)C1ON=C(c3ccc(Cl)cc3)C1C2 MOL13266
-CC(C)(C)c1cc(COc2c3sc(=S)sc3c(OCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3sc(=S)sc23)cc(C(C)(C)C)c1 MOL13267
-CC(=CCNc1ncnc2c1ncn2C1CCCCO1)COP(=O)(O)O MOL13268
-Cc1c(C2=NN=C(N=Nc3c(O)cccc3O)C2=Cc2ccccc2)c(=O)n(-c2ccccc2)n1C MOL13269
-Cc1c(-c2cc3n(n2)C(c2cccs2)C(C#N)=C(c2ccccc2)N3)c(=O)n(-c2ccccc2)n1C MOL13270
-Cc1nc(C(N)=O)c(N)n1CCN1CCN(C(=O)CCCCCCCCCCNC2N=CNc3[nH]cnc32)CC1 MOL13271
-CCOC(=O)NC(=O)c1cn(CC(=O)NCC(=O)NCC(=O)N2CCN(CCn3c(C)nc(C(N)=O)c3N)CC2)c(=O)[nH]c1=O MOL13272
-Cc1[nH]nc2c1C(=O)C=C(N(CCO)c1ccccc1)C2=O MOL13273
-COC12OCCN(C)C1=CC(=O)C1N=NCC12 MOL13274
-COC12OCCN(C)C1=CC(=O)C1=NNC(C)C12 MOL13275
-COC12OCCN(C)C1=CC(=O)C1(C)N=NCC12 MOL13276
-COC12OCCN(CCO)C1=CC(=O)C1(C)N=NC(C)C12 MOL13277
-CCOCC(=O)N(C)c1cccc2c3c(n(C)c12)CCCCC3 MOL13278
-O=C(O)CNS(=O)(=O)c1ccc(NC(=O)CI)cc1 MOL13279
-O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 MOL13280
-O=C(O)CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 MOL13281
-CC(NS(=O)(=O)c1ccccc1)C(=O)O MOL13282
-CC(NS(=O)(=O)c1ccccc1)C(=O)O MOL13283
-COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 MOL13284
-Cc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1 MOL13285
-O=C(Nc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1)c1ccc(F)cc1 MOL13286
-CC(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O MOL13287
-CC(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O MOL13288
-O=C(O)CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 MOL13289
-CC(=NNC(N)=S)c1ccc(C(C)=NNC(N)=S)cc1 MOL13290
-CN(C)CC1CCCC(CN(C)C)C1O.Cl MOL13291
-CN(C)CC1CCCC(CN(C)C)C1=NO.Cl MOL13292
-O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccccc1 MOL13293
-CCCCC(C)=NNC(N)=S MOL13294
-ON=C1CCCCC1=Cc1ccccc1 MOL13295
-COc1ccc(C(C)=NNC(N)=S)c(OC)c1 MOL13296
-CC(=NNC(N)=S)c1ccc2c(c1)OCO2 MOL13297
-CC(=NO)c1ccccc1 MOL13298
-CC(=NNC(=N)N)c1ccccc1 MOL13299
-O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)C1(Cc1nnn(-c2ccc([N+](=O)[O-])cc2)c1N1CCOCC1)c1ccccc1 MOL13300
-O=c1oc2c(ccc3occc32)c(N2CCCCC2)c1-c1ccccc1 MOL13301
-CN(c1ccccc1)c1c(-c2ccccc2)c(=O)oc2c1ccc1occc12 MOL13302
-Cc1cc2c(ccc3c(C)cc(=O)oc32)o1 MOL13303
-CC(=O)OC1C(OC(C)=O)C2(C)C(C(OC(C)=O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12 MOL13304
-CC(=O)OC1C(OC(C)=O)C2(C)C(C(O)C3C2C(C)C=C2OC(=O)C(C)(O)C23C)C2C(O)C(=O)C3CC4OC4C(OC(C)=O)C3(C)C12 MOL13305
-CC(C)(C)C1(c2ccc(C3(c4ccccc4)Oc4ccccc4S3)[nH]2)Oc2ccccc2S1 MOL13306
-CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC(=O)N2 MOL13307
-CC12CCNC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12 MOL13308
-CCOC(=O)c1ccc(N2C(=O)Cc3ccccc3C2=O)cc1 MOL13309
-CCOC(=O)c1ccc(N2C(=O)C(=COC)c3ccccc3C2=O)cc1 MOL13310
-COC(=O)c1ccccc1N1C(=O)Cc2ccccc2C1=O MOL13311
-Oc1nc2c(c3ccccc13)CCc1ccccc1-2 MOL13312
-Cn1c(=O)c2ccccc2c2nc3ccccc3nc21 MOL13313
-O=c1c2ccccc2c2nc3ccccc3nc2n1C1CCCCC1 MOL13314
-Cn1c(=O)c2nc3c4ccccc4c(=O)n(C)c3nc2n(C)c1=O MOL13315
-COc1cc2c(cc1OC)CC(=O)Nc1cc(OC)c(OC)cc1CC2 MOL13316
-Cc1c(N(Cc2ccccc2)Cc2ccccc2)nc(S(C)(=O)=O)nc1S(C)(=O)=O MOL13317
-COc1cc2c(cc1OC)C1Cc3sccc3CN1CC2 MOL13318
-O=C(O)C1CCCCN1c1ccccc1[N+](=O)[O-] MOL13319
-C=C1C(=O)c2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C(=O)O)OCO3 MOL13320
-CCOC(=O)c1ncoc1C1COC(C)(C)O1 MOL13321
-CCC12CCCC13C=CC(O3)C(C)(C)C2=O MOL13322
-CCCCCCCCCCCCC(Br)C(=O)NCC(N)=O MOL13323
-CCCCCCCCCCCCCC(=O)NCO MOL13324
-CCCCCCCCCCOC(=O)NCCC MOL13325
-CCCCCCCCCCSC(=O)NC MOL13326
-CCCCCCCCSC(=O)NCCCC MOL13327
-CCCCCCCCNC(=O)SCCCC MOL13328
-CCCCCCCCCOC(=S)NC MOL13329
-CCCCCCCCCCCCOC(=S)NC MOL13330
-CCCCCCCCCCCCOC(=S)NCCCC MOL13331
-CCCCCCCCCOC(=S)NCCCCC MOL13332
-CCCCCCCCCCNC(=S)OC MOL13333
-CCCCCCCCCCNC(=S)OCCCC MOL13334
-CCCCCCCCCCCCNC(=S)OC MOL13335
-CCCCCCCCCCCCNC(=S)OCCCC MOL13336
-CCCCCCCCCCCOC(=S)NC(C)C MOL13337
-CNC(=S)OCCC(C)CCCC(C)C MOL13338
-CCCCNC(=S)OCCC(C)CCCC(C)C MOL13339
-C=CCNC(=S)OCCCCCCCCCC MOL13340
-Clc1cc2n[se]nc2cc1Cl MOL13341
-Clc1cc(Cl)c2n[se]nc2c1 MOL13342
-COC(=O)c1ccc2n[se]nc2c1 MOL13343
-Nc1ccc2n[se]nc2c1 MOL13344
-O=[N+]([O-])c1cc(C(F)(F)F)cc2n[se]nc12 MOL13345
-CN(C)c1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 MOL13346
-CC(C)(C)c1cc(Cc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 MOL13347
-CSc1ccc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1 MOL13348
-CC(C)(C)c1cc(Cc2ccc([N+](C)(C)C)cc2)c(O)c(C(C)(C)C)c1.COS(=O)(O)=[OH+] MOL13349
-COc1c(C(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)cc1C(C)(C)C MOL13350
-CCCCCCP(=O)(OC)OC MOL13351
-CCCCCCCCCCCCCP(=O)(OC)OC MOL13352
-CCCCCCCCCCCCCCCCP(=O)(OC)OC MOL13353
-Cc1cccc2c(O)cc(=O)oc12 MOL13354
-CCCCCCCCCCCCCCC1OC(=O)c2ccccc21 MOL13355
-Oc1ccccc1C=NCc1ccco1 MOL13356
-Cc1cc2c(cn1)C(=O)OCC2 MOL13357
-COCCOCCOCCOc1cccc2c1C(=O)c1c(OCCOCCOCCOC)cccc1C2=O MOL13358
-COCCOCCOCCOc1cccc2c1C(=O)c1cccc(OCCOCCOCCOC)c1C2=O MOL13359
-O=C1c2cccc3c2C(=O)c2c(cccc21)OCCOCCOCCOCCO3 MOL13360
-CC1(C)CC(c2c[nH]c3ccccc23)=CC2=Nc3ccccc3C21O MOL13361
-CC1=CC(C)(c2c[nH]c3ccccc23)CC(C)(C)c2c1[nH]c1ccccc21 MOL13362
-O=C1C2c3[nH]c4ccccc4c3C3CCSCC3C2C(=O)N1c1ccccc1 MOL13363
-Cc1[nH]c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2c1[N+](=O)[O-] MOL13364
-CCCCCCCCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21 MOL13365
-CC(C)C1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccccc3c21 MOL13366
-CCCCCCCCCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccccc3)C(=O)C21 MOL13367
-CCOC(=O)C(C)(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12 MOL13368
-CCOC(=O)C(C)(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 MOL13369
-Cc1[nH]c2ccccc2c1C=Cc1c(C)[nH]c2ccccc12 MOL13370
-Cn1cc(C(=O)C(Cl)=C(Cl)C(=O)O)c2ccccc21 MOL13371
-Cc1[nH]c2ccccc2c1CCC(=NNc1ccccc1)c1ccccc1 MOL13372
-COC(=O)C(CC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 MOL13373
-Cc1c(C(=O)c2ccccc2C(=O)O)c2ccccc2n1C MOL13374
-Cc1[nH]c2ccccc2c1-c1nnc(O)c2ccccc12 MOL13375
-Oc1nc(-c2ccccc2)nc2cc(Cl)ccc12 MOL13376
-O=C(c1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12 MOL13377
-COC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 MOL13378
-CCNC1C2(CCCCC2)NC(=O)C12CCCCC2 MOL13379
-COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 MOL13380
-O=[N+]([O-])c1ccc(C=Cc2ccc(C=Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL13381
-CNC(=N)c1ncn(C2OC(CO)C(O)C2O)n1.Cl MOL13382
-CN=C(NC)c1ncn(C2OC(CO)C(O)C2O)n1.Cl MOL13383
-N=C(NCC(=O)O)c1ncn(C2OC(CO)C(O)C2O)n1 MOL13384
-Cl.OCC1OC(n2cnc(C3=NCCCN3)n2)C(O)C1O MOL13385
-Cl.OCC1OC(n2cnc(C3=NCC(O)CN3)n2)C(O)C1O MOL13386
-Cl.N=C(N)c1csc(C2OC(CO)C(O)C2O)n1 MOL13387
-Nc1ncnc2c1nc(Br)n2C(C=O)OC(C=O)CO MOL13388
-Cl.N=C(N)c1ncn(C2OC(CO)C(O)C2O)n1 MOL13389
-O=C1CCCCC1=O MOL13390
-O=CC(=O)c1ccccc1 MOL13391
-Br.COC1=Cc2ccnc3c(O)c4ccccc4c(c23)C1=O MOL13392
-C=CCc1c(O)c2c(c3oc(=O)cc(C)c13)CC(C)O2 MOL13393
-CCOC(=O)C1CCn2c(nc3c2c(=O)n(C)c(=O)n3C)S1 MOL13394
-CCOC(=O)C1CCn2c(nc3c(=O)n(C)c(=O)n(C)c32)S1 MOL13395
-COC1=CC(C)C2CC3OC(O)CC4C(C)C(=O)C(O)C(C2(C)C1=O)C34C MOL13396
-CCOC(=O)NC(=O)c1cn(CCN2CCN(C(=O)CCCCCCCCCCNc3ncnc4c3ncn4C3OC(CO)C(O)C3O)CC2)c(=O)[nH]c1=O MOL13397
-CC(Sc1ccccc1)C(CO)(CO)[N+](=O)[O-] MOL13398
-Cc1cc(C)c(O)c(CN(Cc2ccccn2)Cc2ccccn2)c1 MOL13399
-c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1 MOL13400
-CCCCCC1OC(=O)C(=C2CCC(CCCC)O2)C(=O)C1O MOL13401
-CC1=CC2c3c([nH]c4ccccc34)C(c3c[nH]c4ccccc34)C2CC1 MOL13402
-OCc1cc[te]c1 MOL13403
-OCc1c[te]c(-c2ccccc2)c1 MOL13404
-COc1ccc(Br)c(C(=O)N2CCc3ccccc32)c1N MOL13405
-COc1cc2ccnc3c2c(c1OC)CC1CC(O)C(OC)CC31.Cl MOL13406
-CC(=O)c1cc2c3c(c1)c1cc4c(cc1c(=O)n3CC2)OCO4 MOL13407
-CC1Oc2ccc(C(=O)CC(C(=O)O)c3ccc4c(c3)OCO4)cc2O1 MOL13408
-COc1cc(-c2nccc3cc(OC)c(OC)cc23)ccc1O.Cl MOL13409
-COc1cc2cc[n+]3c4cc(OC)c(OC)cc4c(C)cc3c2cc1OC.[Cl-] MOL13410
-COc1ccc(Br)c(CN2CCc3ccccc32)c1OS(=O)(=O)c1ccc(C)cc1.Cl MOL13411
-COc1cccc(C(=O)N2CCc3ccccc32)c1OC MOL13412
-O=c1c2cc3c(cc2c2cccc4c2n1CCC4)OCO3 MOL13413
-COc1ccc2ccc3c(c2c1)CN1CCc2cc(OC)c(OC)cc2C1C3 MOL13414
-Nc1cc(O)nc(SC2=NC(N)CC(O)C2)n1 MOL13415
-CCN(CC)CCNC(=O)c1nn(C)c(=S)[nH]c1=S MOL13416
-O=C(O)CNc1cc(-c2ccccc2)nc(NCC(=O)O)n1 MOL13417
-CCOC(=O)C1Cc2c(ccc(OC)c2OC)C(=O)C1N MOL13418
-COc1ccc2c(c1OC)C(=O)c1cnccc1C2=O MOL13419
-O=C1CCC(=O)c2c1c(O)c1ccncc1c2O MOL13420
-N=C1NC(=N)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N1 MOL13421
-CCOc1ccc(C=C2C(=N)NC(=N)NC2=O)cc1OCC MOL13422
-COC(=O)C1CSC(c2csc(CCN)n2)=N1 MOL13423
-CCOC(=O)CCn1cnc(=N)[nH]1 MOL13424
-COc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=S MOL13425
-Cc1c(C)c([N+](=O)[O-])c2c(c1N)C(=O)c1ccccc1C2=O MOL13426
-O=C1c2ccccc2C(=O)c2cc3c(cc21)CS(=O)C3 MOL13427
-Cc1cc2c(c3nocc13)C(=O)c1ccccc1C2=O MOL13428
-CC1(C=O)C(=O)CCC2(C)C3CC(=O)OC3CCC12 MOL13429
-CC(=O)SCCC1c2[nH]c3ccccc3c2CCN1O MOL13430
-COc1cc2ccnc3c2c(c1OC)C(=O)C3=C(SC)SC MOL13431
-N#CC(C#N)c1ccc(C(=O)N2CCCC2CO)cc1 MOL13432
-COc1c2c3c(c(OC)c1OC)-c1ccc(O)cc1C3=NCC2 MOL13433
-COc1cc2c(cc1OC)C(=Cc1ccccc1N)C(=O)OC2 MOL13434
-N#CC1(C#N)C2(c3ccccc3)OC(c3ccccc3)(c3cc4ccccc4cc32)C1(C#N)C#N MOL13435
-O=c1c(Sc2c(O)c3ccccc3c3ccccc3c2=O)c(O)c2ccccc2c2ccccc12 MOL13436
-O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21 MOL13437
-O=S1(=O)C(c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2C1c1ccccc1 MOL13438
-O=S1C(c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2C1c1ccccc1 MOL13439
-COC(=O)C1=C(C(=O)OC)C2(c3ccccc3)OC1(c1ccccc1)c1cc3ccccc3cc12 MOL13440
-c1ccc(-c2sc(-c3ccccc3)c3c2C(c2ccccc2)SC3c2ccccc2)cc1 MOL13441
-[BrH+][Ni-2]1([BrH+])[PH](c2ccccc2)(c2ccccc2)c2ccccc2[PH]1(c1ccccc1)c1ccccc1 MOL13442
-CCOC(=O)c1cc2c3c(c(O)c(OC)c2s1)N(C(=O)c1cc2c4c(c(OC)c(OC)c2s1)N(C(=O)OC(C)(C)C(Cl)(Cl)Cl)CC4)CC3 MOL13443
-OC(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(O)c1ccccc1 MOL13444
-OC(c1ccccc1)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1C(O)c1ccccc1 MOL13445
-CC(=O)OC1CCC2(C)C(CCC3C2C(Br)C(=O)C2(C)C3CC3OC4(OCC(C)CC4Br)C(C)C32)C1 MOL13446
-[O-]c1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)[n+]1-c1ccccc1 MOL13447
-CCOC1C2c3cc(OC)c(OC)cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1 MOL13448
-COc1ccc(C(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)O)cc1 MOL13449
-COC(=O)C1=C(C(=O)OC)C2=S(SC3=C2CCCC3)S1 MOL13450
-COC(=O)C=c1sc(=CC(=O)OC)c2ccccc12 MOL13451
-CC12OC3(C)OC(=O)C(c4ccccc4)(O1)C3(C)O2 MOL13452
-CC(=O)OC1(C)C(=O)OC1(C)C(C)=O MOL13453
-Cn1cccc1C=Cc1cc(Br)c(C=Cc2cccn2C)cc1Br MOL13454
-C1CC2=C(C1)C1=S(S2)SC2=C1CCC2 MOL13455
-S=c1c2ccccc2c(=S)n2n1CC=CC2 MOL13456
-O=c1c2ccccc2c(=O)n2n1CC=CC2 MOL13457
-O=C1CCCC(O)=C1SC1=C(O)CCCC1=O MOL13458
-CN1C(=O)C2C=CC1C1CCC2N(C)C1=O MOL13459
-CC1c2[nH]c3ccccc3c2CCN1O MOL13460
-NC1=C(O)c2cccc3cccc(c23)C1=O MOL13461
-O=C1C=Cc2noc3cccc1c23 MOL13462
-O=S1Nc2c(Cl)cc(Cl)c3c(Cl)cc(Cl)c(c23)N1 MOL13463
-Clc1cc(Cl)c2c(Cl)cc(Cl)c3c2c1N=S=N3 MOL13464
-COC(=O)c1sc(C(=O)OC)c2c1CS(=O)C2 MOL13465
-COC(=O)c1sc(C(=O)OC)c2c1CSC2 MOL13466
-COc1cc(O)c2c(c1)C(=O)C=C(Cl)C2=O MOL13467
-COc1cc2c(cc1OC)CCN=C2 MOL13468
-COc1cc2c(cc1O)C=NCC2 MOL13469
-O=C(O)C(=Cc1ccc2c(c1)OCO2)C(=Cc1ccc2c(c1)OCO2)C(=O)O MOL13470
-O=C1OC(=O)C(=Cc2ccc3c(c2)OCO3)C1=Cc1ccc2c(c1)OCO2 MOL13471
-O=c1ccn(COC(COCc2ccccc2)COCc2ccccc2)c(=O)[nH]1 MOL13472
-COc1ccc(C(Cl)=C(C=O)c2ccccc2)cc1OC MOL13473
-O=C1C2C3SC(c4cc5ccccc5cc43)C2C(=O)N1c1ccccc1 MOL13474
-O=C1C2C3SC(c4cc5ccccc5cc43)C2C(=O)N1c1ccccc1 MOL13475
-O=C1C2C3SC(c4c3ccc3ccccc43)C2C(=O)N1c1ccccc1 MOL13476
-CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C(C(=O)OCC)C(=O)OCC MOL13477
-O=c1c2ccccc2c(=O)c2cc3c(=O)n(-c4ccccc4)c(=O)c3cc12 MOL13478
-CCC12C=C(C(=O)OC)N3c4ccccc4C4CCN(CCC1)C2C43 MOL13479
-CC(C)=CC1c2[nH]c3ccccc3c2CC(C(=O)O)N1C(=O)OC(C)(C)C(Cl)(Cl)Cl MOL13480
-COc1ccc(C2=C3c4cc(OC)c(OC)cc4CCN3C(=S)SS2)cc1OC MOL13481
-COc1cc2c(cc1OC)c1c(OC)c(OC)cc3c1c1c2sc(=S)n1CC3 MOL13482
-O=c1[c-](-c2ccccc2)[se]c(-c2ccccc2)[n+]1-c1ccccc1 MOL13483
-COC(=O)C1=C(C(=O)OC)SC(=C2C(=O)c3ccccc3-c3ccccc32)S1 MOL13484
-CC1(C)CC(=O)c2c(ccc(C(=O)CC(N)CO)c2N)O1 MOL13485
-COCC1OC(=O)c2coc3c2C1(C)C1=C(C3=O)C2CCC(=O)C2(C)CC1OC(C)=O MOL13486
-O=C(OCC1OCC(=O)C2(OC(=O)c3ccccc3)C3C=CC(C3)C12)c1ccccc1 MOL13487
-O=C(OCC1OCC(=O)C2(OC(=O)c3ccccc3)C3C=CC(C3)C12)c1ccccc1 MOL13488
-O=C(OCC1OC(OC(=O)c2ccccc2)C(=O)C2(OC(=O)c3ccccc3)C3C=CC(C3)C12)c1ccccc1 MOL13489
-Nc1ncnc2c1ncn2CC(O)CO MOL13490
-COC(=O)C=CC=Cc1ccc2c(c1OC)C(=O)c1ccccc1C2=O MOL13491
-COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1c3ccc(C(C)=O)c4cccc(c34)C12 MOL13492
-COC(=O)c1c(-c2ccccc2)sc(-c2cccc3ccccc23)c1C(=O)OC MOL13493
-O=S1(=O)CC2C(C1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21 MOL13494
-CC(=O)Oc1c2c(c(OC(C)=O)c3c1C(=O)c1ccccc1C3=O)CCC(C(C)O)=C2 MOL13495
-CC12CCC3C(CCC4C(=NO)C(=O)C(=NO)CC43C)C1CC(=NO)C2=O MOL13496
-COc1cc2c(cc1OC)C(C1C(=O)CC(C)(C)CC1=O)NCC2 MOL13497
-N#CC1(Cc2ccccc2[N+](=O)[O-])c2ccccc2C2C(N1C(=O)c1ccccc1)C2(Cl)Cl MOL13498
-O=C1OC(Sc2ccccc2)(Sc2ccccc2)c2cccc3cccc1c23 MOL13499
-CC1C=CC2COC(=O)C2=CC1c1ccccc1 MOL13500
-COC(=O)C1=C2CCC(=O)C2(C)C(OC(C)=O)C=CC1 MOL13501
-COC(=O)C1=C2CCC(=O)C2(C)CC(C)=C(C)C1 MOL13502
-CCOC(=O)c1cccc(=O)c(C(=O)OCC)c1 MOL13503
-CCOC(=O)C1=CC(C(=O)OCC)C2C=CC1N2C(=O)OC MOL13504
-CCOC(=O)Nc1ccc(S(=O)(I)=[O+][Mg][O+]=S(=O)(I)c2ccc(NC(=O)OCC)cc2)cc1.CNC(=O)N=O.NC(=O)OCCCl MOL13505
-CCOC(=O)Nc1ccc(S(=O)(I)=[O+][Mg][O+]=S(=O)(I)c2ccc(NC(=O)OCC)cc2)cc1.CN(C=O)C1=C(N(C)C=O)C(N(C)C=O)=C(N(C)C=O)C(=O)C1=O MOL13506
-N#CC(OC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O)c1ccccc1 MOL13507
-COc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1C1C=C(C)CCC1C(C)C MOL13508
-CC(=O)OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12 MOL13509
-CC=C(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12 MOL13510
-CCC(C)C(=O)OC1CCC2(CO2)C2(COC(C)=O)C(OC(C)=O)CC(C)C(C)(CC(O)C3=CC(=O)OC3)C12 MOL13511
-COc1cc2ccnc(C(OC(=O)c3ccccc3)c3ccc(OC)c(OC)c3OC)c2cc1OC MOL13512
-COc1cc2c3c(c1OC)-c1ccccc1C(C(OC(C)=O)c1ccccc1)C3N(C)CC2 MOL13513
-COc1cc(C=Cc2ccc(C=Cc3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC MOL13514
-O=C1C2C(C(=O)N1c1ccccc1)C1c3ccccc3C2C2C(=O)N(c3ccccc3)C(=O)C21 MOL13515
-O=C1c2ccccc2C(C2c3ccccc3C(=O)c3ccccc32)c2ccccc21 MOL13516
-O=C1C2C(C(=O)N1c1ccccc1)C1(Br)c3ccccc3C2(Br)C2C(=O)N(c3ccccc3)C(=O)C21 MOL13517
-O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21 MOL13518
-COc1cc2c(cc1OC)C(Cc1cc(OCc3ccccc3)c(OC)cc1N)N(C)CC2 MOL13519
-COC(=O)C1CCCN1C(=O)C1Cc2c([nH]c3ccccc23)C(C=C(C)C)N1C(=O)OC(C)(C)C(Cl)(Cl)Cl MOL13520
-COc1cc2c(cc1OC)C(Cc1ccc(OC)c(OC)c1Oc1ccccc1)N(C)CC2 MOL13521
-COc1cc2c(cc1OC)Cc1cc(OC)c(OC)cc1Cc1cc(OC)c(OC)cc1C2 MOL13522
-COc1cc2c(cc1OC)C(Cc1ccc(O)cc1)N(C)CC2.O=C(O)C(O)c1ccccc1 MOL13523
-CN(C)c1ccc(C=Cc2ccc(C=Cc3ccc(N(C)C)cc3)cc2)cc1 MOL13524
-O=c1c(-c2ccccc2)c2c3cccc4cccc(c-2c1-c1ccccc1)c43 MOL13525
-COc1cc(Br)c(CC2(C#N)c3ccccc3C3C(N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC MOL13526
-COc1cc2c3c(c1OC)-c1c(ccc4c1OCO4)CC3(C#N)N(C(=O)c1ccccc1)CC2 MOL13527
-COc1cc2c3c(c1OC)-c1cc4c(cc1CC3(C#N)N(C(=O)c1ccccc1)CC2)OCO4 MOL13528
-COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n(-c2ccccc2)c(=O)c1-c1ccccc1 MOL13529
-CCOC1C2c3cc4c(cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 MOL13530
-COc1cc2c(C(OC(=O)c3ccccc3)c3ccc4c(c3)OCO4)nccc2c(OC)c1OC MOL13531
-COC(=O)C(=O)OC1(C(C)=O)CC2(c3ccccc3)OC1(c1ccccc1)c1ccccc12 MOL13532
-O=C(NC1CC(NC(=O)OCc2ccccc2)C2c3ccccc3C12)OCc1ccccc1 MOL13533
-CCOC(=O)c1cc2c3c(c(O)c(OC)c2s1)N(C(=O)c1cc2c4c(c(O)c(OC)c2s1)N(C(C)=O)CC4)CC3 MOL13534
-COc1cc2c3c(c1OC)C(=NOS(=O)(=O)c1ccc(C)cc1)CC3N(S(=O)(=O)c1ccc(C)cc1)CC2 MOL13535
-C=CCC1C(=O)CC2(C)C(CC=C)C(=O)CC12C MOL13536
-C=CCC1C(=O)CC2(C)CC(=O)C(CC=C)C12C MOL13537
-C=CCC1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2C1C(C(=O)OC(C)(C)C)=C(OC)C2(CC=C)C(=O)OC(C)(C)C MOL13538
-[O-]c1c2c(nn1-c1ccccc1)c1ccccc1c[n+]2Cc1ccccc1 MOL13539
-O=C1CN(C(=O)c2ccccc2)Cc2[nH]c3ccccc3c21 MOL13540
-O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)C1 MOL13541
-CCOC(=O)C1C(=O)c2ccccc2CN1Cc1ccccc1.Cl MOL13542
-COc1cc2c(cn1)[nH]c1ccccc12 MOL13543
-COC(=O)c1cc2c3ccccc3n(C(C)=O)c2cn1 MOL13544
-COc1ccc(Br)c(NN=C2CCCNC2=O)c1 MOL13545
-CCOC(=O)C(Cc1c(C=O)[nH]c2ccccc12)(NC(=O)c1ccccc1)C(=O)OCC MOL13546
-c1ccc(COc2ccc3[nH]c4c(ncc5[nH]c6ccccc6c54)c3c2)cc1 MOL13547
-O=C(O)C1=C(O)C(C(=O)O)C23CCCCCCCCCCC12C(C(=O)O)C(O)=C3C(=O)O MOL13548
-BrC1=CC=C2NC=CC3=CC=NC1C32 MOL13549
-O=C(O)Cc1cc(O)nc2c1C(=O)CCC2 MOL13550
-O=C(O)Cc1cc(O)nc2c1C(=NO)CCC2 MOL13551
-COC(=O)Cc1cc(O)nc2c1C(=O)CCC2 MOL13552
-COC(=O)C1C(=O)C(C(=O)OC)C2C(C(=O)OC)C(=O)C(C(=O)OC)C12 MOL13553
-O=C1CC23CCCCCCCCCCC2(C1)CC(=O)C3 MOL13554
-OC1(c2ccccc2)OC(C#Cc2ccccc2)(c2ccccc2)c2ccccc21 MOL13555
-CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C(CC(OC(C)=O)C3=CCOC3=O)C(O)(CO)CCC12 MOL13556
-O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3.O=C1OCc2cc3cc4c(cc3c(-c3ccc5c(c3)OCO5)c21)OCO4 MOL13557
-CCOC(C)=O.O=C1OC(=O)c2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3 MOL13558
-CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCN.O=C(O)C(F)(F)F MOL13559
-O=S(=O)(c1ccccc1)c1ccccc1 MOL13560
-O=S1(=O)c2ccccc2-c2ccccc21 MOL13561
-Cc1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 MOL13562
-Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL13563
-Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Cl MOL13564
-CCc1cccc(C)c1NS(=O)(=O)c1ccccc1 MOL13565
-CCc1cccc(C)c1NC(C)=O MOL13566
-CCC(C)(C)NS(=O)(=O)c1ccccc1 MOL13567
-Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 MOL13568
-CC(C)(C)c1ccccc1NS(=O)(=O)c1ccccc1 MOL13569
-Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 MOL13570
-CCc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 MOL13571
-Cl.Nc1cc([As]=O)ccc1O MOL13572
-N=C(N)NS(=O)(=O)c1ccc(NCCc2c3ccccc3nc3ccccc23)cc1 MOL13573
-CC(Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1c2ccccc2nc2ccccc12 MOL13574
-COc1cc(NS(C)(=O)=O)ccc1NCc1c2ccccc2nc2ccccc12 MOL13575
-N=C(N)NCCCC(Nc1c2ccccc2nc2ccccc12)C(=O)O MOL13576
-NC(=O)CCC(Nc1c2ccccc2nc2ccccc12)C(=O)O MOL13577
-O=C(O)C(CS)Nc1c2ccccc2nc2ccccc12 MOL13578
-CC(C)C(Nc1c2ccccc2nc2ccccc12)C(=O)O MOL13579
-O=C(O)CNc1c2ccccc2nc2ccccc12 MOL13580
-N=C(N)NCCCC(NCc1c2ccccc2nc2ccccc12)C(=O)O MOL13581
-CC(C)C(NCc1c2ccccc2nc2ccccc12)C(=O)O MOL13582
-O=C(O)C(CS)NCc1c2ccccc2nc2ccccc12 MOL13583
-O=C(O)CNCc1c2ccccc2nc2ccccc12 MOL13584
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(C=NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 MOL13585
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(C=NNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)c2ccccc21 MOL13586
-COS(=O)(O)=[OH+].Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+](C)c3ccccc23)cc1 MOL13587
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2cc2c(CNC(CCCNC(=N)N)C(=O)O)cccc21 MOL13588
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNC(CCC(N)=O)C(=O)O)c2ccccc21 MOL13589
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNC(CS)C(=O)O)c2ccccc21 MOL13590
-CC(C)C(NCc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(O)=[OH+] MOL13591
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNCC(=O)O)c2ccccc21 MOL13592
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(CNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21 MOL13593
-CN1C(=O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C MOL13594
-CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cnoc5NC4(C)CCC32)C1 MOL13595
-CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cn[nH]c5NC4(C)CCC32)C1 MOL13596
-CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cnn(-c6ccccc6)c5NC4(C)CCC32)C1 MOL13597
-CC12CCC3C(CC=C4CC(O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2 MOL13598
-CC12CCC3C(CCC4=CC(=O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2 MOL13599
-CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1Cc1cnn(-c3ccccc3)c1N2 MOL13600
-CC12CCC3C(CC=C4CC(O)CCC43C)C1Cc1cn[nH]c1N2 MOL13601
-CC12CCC3C(CCC4=CC(=O)CCC43C)C1Cc1cn[nH]c1N2 MOL13602
-CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(C#N)C(=O)N2 MOL13603
-CC12CCC3C(CCC4=CC(=O)CCC43C)C1CC(C#N)C(=O)N2 MOL13604
-CC(=O)OC1CCC2C3CCC4Nc5[nH]ncc5CC4(C)C3CCC12C MOL13605
-CC(=O)OC1CCC2C3CCC4Nc5c(cnn5-c5ccccc5)CC4(C)C3CCC12C MOL13606
-CC(C)CCCC(C)C1CCC2C3CCC4N=C5NOC=C5CC4(C)C3CCC12C MOL13607
-CC(C)CCCC(C)C1CCC2C3CCC4Nc5[nH]ncc5CC4(C)C3CCC12C MOL13608
-CC(C)CCCC(C)C1CCC2C3CCC4Nc5c(cnn5-c5ccccc5)CC4(C)C3CCC12C MOL13609
-CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cc6ccccc6nc5NC4(C)CCC32)C1 MOL13610
-CCN(CC)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)c(C)c1 MOL13611
-CN(C)c1ccc(N=C2C=CC(=C(C#N)C#N)c3ccccc32)cc1 MOL13612
-CCN(CC)c1ccc(N=C2C=C(Cl)C(=O)c3ncccc32)c(C)c1 MOL13613
-COc1ccc(SS(=O)(=O)c2ccc(OC)cc2)cc1 MOL13614
-O=C1C=Cc2cc(Br)ccc2C12CCc1c(O)ccc3cc(Br)cc2c13 MOL13615
-COC(=O)C1(C)C(OC)=CC(=O)C2C3CCCC3C21 MOL13616
-CCC(C)CC(C)CC(C)C=C(C)C1=C(C)CC(C)(O)O1 MOL13617
-COC(=O)Cc1c(C2(C)CCCC(C)(C)C2)ccc2c1C(=O)OC2 MOL13618
-Cc1cc(O)cc2c1OC1(C)CCC3C(C)(CCC4C(C)(C)C(O)CCC43C)C1C2 MOL13619
-COc1cc2cc[n+]3c(c2cc1OC)C(=O)c1ccccc1-3.OS(O)(=[OH+])=[OH+] MOL13620
-CN1C=Nc2c(ncn2C2CCC(CO)O2)C1O MOL13621
-CC(=NNC(N)=S)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL13622
-O=C(OC1CC(OC(=O)c2cc(O)c(O)c(O)c2)(C(=O)O)CC(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 MOL13623
-O=C(O)c1cc2c([nH]1)-c1cc(C(=O)O)c(C(=O)O)nc1C(=O)C2=O MOL13624
-CN1C2(c3ccccc3)C(C(=O)c3ccccc3)=C(C(=O)c3ccccc3)C1(c1ccccc1)c1c(-c3ccccc3)sc(-c3ccccc3)c12 MOL13625
-c1ccc(-c2sc(-c3ccccc3)c3c2C(c2ccccc2)c2c(-c4ccccc4)sc(-c4ccccc4)c2C3c2ccccc2)cc1 MOL13626
-CCCCCCCCCCn1cccc1C=Cc1ccc(C=Cc2cccn2CCCCCCCCCC)cc1 MOL13627
-O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)SC2(c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c21 MOL13628
-CN1C2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3C1(c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C12 MOL13629
-O=C(Cc1c(C(=O)Nc2ccccc2)sc(C(=O)Nc2ccccc2)c1CC(=O)Nc1ccccc1)Nc1ccccc1 MOL13630
-CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12C(c1ccc(OC)c(OC)c1)=Nc1ccccc12 MOL13631
-O=C1OC(=O)C2C1C1(c3ccccc3)C(=O)C2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 MOL13632
-CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12c1ccccc1NC2c1ccc(OC)c(OC)c1 MOL13633
-Cc1ccc(S(=O)(=O)N2CCC3(C(C=Cc4ccccc4)=Nc4ccccc43)C2c2ccccc2)cc1 MOL13634
-CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12C(c1ccc(OC)cc1)NC1CCCCC12 MOL13635
-CC(=O)C1(O)CC2(c3ccccc3)C(=O)C1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 MOL13636
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 MOL13637
-CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12c1ccccc1N(C(C)=O)C2c1ccc(OC)c(OC)c1 MOL13638
-CCOC(=O)C1N(S(=O)(=O)c2ccc(C)cc2)CCC12c1ccccc1N(C(C)=O)C2C(C=CC(=O)OC)=CC(=O)OC MOL13639
-COc1cc2c3c(c1OCc1ccccc1)NCCC3NCC2.Cl MOL13640
-O=C(c1ccccc1)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2c1-c1ccccc1 MOL13641
-COc1cc2c(cc1OC)C1C=NC(C(=O)O)(C2)c2ccccc21 MOL13642
-c1ccc(N2N=NC3C4CC(C5c6ccccc6C45)C32)cc1 MOL13643
-COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3.[Cl-] MOL13644
-COc1ccc(-c2ccccc2)c2[nH]c3c(c12)CCNC3=O MOL13645
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CCCNC(=N)N)C(=O)O)c2ccccc21 MOL13646
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CCC(N)=O)C(=O)O)c2ccccc21 MOL13647
-COS(=O)(O)=[OH+].C[n+]1c2ccccc2c(NC(CS)C(=O)O)c2ccccc21 MOL13648
-CC(C)C(Nc1c2ccccc2[n+](C)c2ccccc12)C(=O)O.COS(=O)(O)=[OH+] MOL13649
-COS(=O)(=O)[OH2+].C[n+]1c2ccccc2c(NCC(=O)O)c2ccccc21 MOL13650
-O=S(=O)(NN=Cc1c2ccccc2[n+]([O-])c2ccccc12)c1ccc(Cl)cc1 MOL13651
-O=C(O)c1cc(S(=O)(=O)NN=Cc2c3ccccc3[n+]([O-])c3ccccc23)ccc1O MOL13652
-Cc1ccc(S(=O)(=O)NN=Cc2c3ccccc3[n+]([O-])c3ccccc23)cc1 MOL13653
-N=C(N)NCCCC(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O MOL13654
-NC(=O)CCC(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O MOL13655
-O=C(O)C(CS)NCc1c2ccccc2[n+]([O-])c2ccccc12 MOL13656
-CC(C)C(NCc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O MOL13657
-O=C(O)CNCc1c2ccccc2[n+]([O-])c2ccccc12 MOL13658
-N=C(N)NS(=O)(=O)c1ccc(NCc2c3ccccc3[n+]([O-])c3ccccc23)cc1 MOL13659
-N=C(N)NCCCC(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O MOL13660
-NC(=O)CCC(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O MOL13661
-O=C(O)C(CS)Nc1c2ccccc2[n+]([O-])c2ccccc12 MOL13662
-CC(C)C(Nc1c2ccccc2[n+]([O-])c2ccccc12)C(=O)O MOL13663
-O=C(O)CNc1c2ccccc2[n+]([O-])c2ccccc12 MOL13664
-Nc1cc([As]=O)ccc1O MOL13665
-O=C(O)CCC12CCC3(O)OC(=O)C(CC1C(=O)O)C32 MOL13666
-COC(=O)CCC12CCC(=O)C1C(C(=O)OC)CC2C(=O)OC MOL13667
-CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1 MOL13668
-Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1 MOL13669
-CCOC(=O)CNC1C(NC(C)=O)C(OC)OC2COC(c3ccccc3)OC21 MOL13670
-CN1CCN2c3ccccc3CC(C#N)(C#N)C2C1 MOL13671
-Cc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21 MOL13672
-Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1 MOL13673
-Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c(C)c1 MOL13674
-Cc1cc(C)cc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 MOL13675
-Cn1c(=O)nc2n(-c3cccc(Cl)c3)c3ccccc3nc-2c1=O MOL13676
-Cn1c(=O)nc2n(-c3cc(Cl)ccc3Cl)c3ccccc3nc-2c1=O MOL13677
-Cn1c(=O)nc2n(-c3ccc(Cl)c(C(F)(F)F)c3)c3ccccc3nc-2c1=O MOL13678
-Cn1c(=O)nc2n(-c3cccc(F)c3)c3ccccc3nc-2c1=O MOL13679
-Cn1c(=O)nc2n(-c3ccc(F)cc3)c3ccccc3nc-2c1=O MOL13680
-Cn1c(=O)nc2n(-c3ccc(F)c(F)c3)c3ccccc3nc-2c1=O MOL13681
-Cn1c(=O)nc2n(-c3cccc(Br)c3)c3ccccc3nc-2c1=O MOL13682
-Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3ccccc3nc-2c1=O MOL13683
-CCc1ccccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21 MOL13684
-CCCCc1ccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)cc1 MOL13685
-Cn1c(=O)nc2n(-c3ccc(O)cc3)c3ccccc3nc-2c1=O MOL13686
-COc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 MOL13687
-CSc1cccc(-n2c3nc(=O)n(C)c(=O)c-3nc3ccccc32)c1 MOL13688
-Cn1c(=O)nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c1=O MOL13689
-Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccc(Cl)cc3nc-2c1=O MOL13690
-Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3cc(Cl)ccc3nc-2c1=O MOL13691
-Cc1cc2nc3c(=O)n(C)c(=O)nc-3n(-c3ccc(Cl)cc3)c2cc1C MOL13692
-CCn1c(=O)nc2n(-c3ccc(SC)cc3)c3ccccc3nc-2c1=O MOL13693
-CCn1c(=O)nc2n(-c3ccccc3)c3ccccc3nc-2c1=O MOL13694
-Cc1nc2c(=O)n(C)c(=O)nc-2n(-c2ccc(Cl)cc2)c1C MOL13695
-Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c(-c3ccccc3)c(-c3ccccc3)nc-2c1=O MOL13696
-COc1ccc2c(C(=O)O)cc3cc(OC)c(OC)cc3c2c1 MOL13697
-COC1(OC)c2ccccc2C2(O)c3ccccc3C(=O)C12 MOL13698
-CC12SC(C)(c3c[se]cc31)C1C(=O)N(c3ccccc3)C(=O)C12 MOL13699
-O=C1C2C(C(=O)N1c1ccccc1)C1c3ccccc3C2S1(=O)=O MOL13700
-COc1cc2ccnc3c2c(c1OC)-c1ccccc1C3=O MOL13701
-O=C1C2C3SC(c4ccccc43)C2C(=O)N1c1ccccc1 MOL13702
-CCOC(=O)c1ccc(C=Cc2cccn2C(=O)OC(C)(C)C)[nH]1 MOL13703
-COc1ccc(N)c(CC2c3ccccc3CCN2C)c1.Cl MOL13704
-CCOC(=O)C(NO)C(Sc1ccccc1)c1ccc(OC)cc1 MOL13705
-COc1ccc(-c2ccccc2)c(NN=C2CCCNC2=O)c1 MOL13706
-COc1cc2c(cc1OC)-c1c(cc(OC)c(OC)c1OC)C2=O MOL13707
-COc1cc2c3c(c1OC)-c1cc(O)ccc1CC3NCC2 MOL13708
-COc1cc2c(c3c1C=CCO3)C(=O)c1ccccc1C2=O MOL13709
-CSCC1Cc2c(cc3c(c2O)C(=O)c2ccccc2C3=O)O1 MOL13710
-C[N+](C)(C)C1CC([N+](C)(C)C)C2c3ccccc3C21.[I-] MOL13711
-O=C1OC(=O)c2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 MOL13712
-Cc1cc(O)c2c(c1)C(O)(c1ccc3c(c1O)C(=O)c1c(O)cc(C)cc1C3(O)C1OC(CO)C(O)C(O)C1O)c1cccc(O)c1C2=O MOL13713
-CCCN1C(=O)CNC(=O)c2[nH]cnc21 MOL13714
-CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(C(=O)OC)(C2)C13 MOL13715
-CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13.Cl MOL13716
-CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O MOL13717
-CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13.Cl MOL13718
-CCC12C=CCN3CCC4(c5ccc(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32 MOL13719
-CC=C1CNC2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC MOL13720
-CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3c(OC)ccc4c5c([nH]c34)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC MOL13721
-CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4c5c([nH]c4cc3OC)C3(C(=O)OC)CC4CC(CC)C3N(CC5)C4)CC1C2C(=O)OC MOL13722
-CCC1CC2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C(C(=O)OC)(C2)C13 MOL13723
-CCC1CC2CC3c4[nH]c5ccccc5c4CCN(C2)C13 MOL13724
-CCC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C(C(=O)OC)(C2)C13 MOL13725
-CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(CO)(C2)C13 MOL13726
-CCC1CC2CN3CCc4c([nH]c5ccc(OC)cc45)C(COC(=O)c4ccc(OC)c(OC)c4)(C2)C13 MOL13727
-CCC12OC(=O)C34CC(C(=O)N(CCc5c3[nH]c3ccccc53)C41)C2I MOL13728
-CC(=O)Oc1c(C)c(-c2ccccc2)c(C)c(-c2ccccc2)c1C(=S)c1ccccc1 MOL13729
-O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(O)C(O)C(O)C(O)CO MOL13730
-O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NCCCOCCOCCCNC(=O)C(O)C(O)C(O)C(O)CO MOL13731
-O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO MOL13732
-c1cncc(CN2CCCC2)c1 MOL13733
-c1cncc(CN2CCCCC2)c1 MOL13734
-c1cncc(CN2CCCCCC2)c1 MOL13735
-CC1CC(C)CN(Cc2cccnc2)C1 MOL13736
-CC1CCCC(C)N1Cc1cccnc1 MOL13737
-CC1CCN(Cc2cccnc2)CC1 MOL13738
-COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC=O)CC2 MOL13739
-O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc2c1=O MOL13740
-CCN(CCCl)CCNc1c2ccccc2nc2ccc(OC)cc12.Cl MOL13741
-COc1ccc2nc3ccccc3c(NCCN(C)CCCl)c2c1.Cl MOL13742
-COc1cc2c(Cc3cc(OCc4ccccc4)ccc3N)nccc2c(OC)c1OC MOL13743
-COc1cc2c3c(c1OC)-c1ccccc1C(C(O)c1ccccc1)C3N(C)CC2.Cl MOL13744
-CCC1CC(=O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)C1(C#N)C(=O)OC(C)(C)C MOL13745
-CC(=O)OC1(C(C)=O)CC2(c3ccccc3)OC1(c1ccccc1)c1ccccc12 MOL13746
-COC1C2c3ccccc3C(C#N)(Cc3ccc4c(c32)OCO4)N1C(=O)c1ccccc1 MOL13747
-COC1C2c3cc4c(cc3CC(C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 MOL13748
-COc1cc2c(cc1OC)C(C#N)N(C(=O)c1ccccc1)C=C2OC(=O)c1ccccc1 MOL13749
-OCc1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)c1CO MOL13750
-COc1cc2c(cc1OC)C1c3ccccc3C(C#N)(C2)N(C(=O)c2ccccc2)C1O MOL13751
-COc1cc2c(cc1OC)C(C#N)(Cc1ccccc1)N(C(=O)c1ccccc1)C=C2 MOL13752
-COc1cc2c(-c3onc4ccc(OCc5ccccc5)cc34)nccc2c(OC)c1OC MOL13753
-O=C1c2c(oc3c2C(=O)c2cccc4cccc-3c24)-c2cccc3cccc1c23 MOL13754
-O=C(O)c1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)c1C(=O)O MOL13755
-N#CC(C#N)=c1ccc(=C2N3CCCC3CN2C23CC4CC(CC(C4)C2)C3)cc1 MOL13756
-COC(=O)C=C(C(=O)OC)c1c2c3c(cc(OC)c(OC)c3c3ccccc13)CCN2C MOL13757
-COc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(C)cc2)cc1 MOL13758
-COc1ccc2c(CN3CCCCC3CO)cc3cc(OC)c(OC)cc3c2c1 MOL13759
-Cc1ccc2ccc(-c3ccccc3)c3c2c1C(=O)c1ccccc1C3=O MOL13760
-N#CC12Cc3cc4c(cc3-c3cccc(c31)CCN2C(=O)c1ccccc1)OCO4 MOL13761
-N#CC12Cc3ccc4c(c3-c3cccc(c31)CCN2C(=O)c1ccccc1)OCO4 MOL13762
-COc1cccc(-c2nccc3c(OCc4ccccc4)c(OC)c(OC)cc23)c1 MOL13763
-Nc1c2ncn(C3OC(CO)CC3F)c2nc[n+]1[O-] MOL13764
-Nc1nc(N)c2nc(-c3ccco3)cnc2n1 MOL13765
-O=C1CC(c2c[nH]c3ccccc23)C(=O)N1c1ccccc1 MOL13766
-Cc1[nH]c2ccccc2c1C1CC(=O)NC1=O MOL13767
-O=C1CC(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1 MOL13768
-O=C1CC(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1 MOL13769
-O=C1CC(c2c[nH]c3ccccc23)C(=O)N1 MOL13770
-O=C1CC(c2n[nH]c3ccccc23)C(=O)N1c1ccccc1 MOL13771
-O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)C31 MOL13772
-O=Cc1cn(C(=O)c2ccccc2)c2ccccc12 MOL13773
-CCCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 MOL13774
-Cc1c(CCC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c2ccccc2n1C MOL13775
-CCN(N=O)C1C2(CCCC2)NC(=O)C12CCCC2 MOL13776
-CC(=O)OC12CCCCC1C1(CCCC1)NC2=O MOL13777
-O=Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 MOL13778
-COC(=O)C(c1n[nH]c2ccccc12)C(C(=O)OC)c1n[nH]c2ccccc12 MOL13779
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C#Cc1ccc([N+](=O)[O-])cc1.Cl MOL13780
-O=C1NC2CCCCC2C12CCCCC2 MOL13781
-O=C1NC2=C(CCCCC2=NO)C12CCCCC2 MOL13782
-O=C1NC2(CCCCC2)C2CCCCCC12 MOL13783
-O=C1NC2CCCCCC2C12CCCCC2 MOL13784
-O=C1NC2C(O)CCCCC2C12CCCCC2 MOL13785
-O=C1Nc2ccccc2C12CCCC2 MOL13786
-O=C1NC2(CCCCC2)C2CCCCC(O)C12 MOL13787
-O=C1NC2(CCCC2)C(=O)C12CCCC2 MOL13788
-O=C1NC2(CCCCC2)C2CCCCC=C12 MOL13789
-NC1C2(CCCCCC2)NC(=O)C12CCCCCC2 MOL13790
-O=C1NC2(CCCCC2)C2=C1CCCCC2 MOL13791
-O=C1NC2=C(CCCCCC2=NO)C12CCCCCC2 MOL13792
-O=C1NC2(CCCC2)C2CCCCC12O MOL13793
-CC(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O MOL13794
-Cl.Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 MOL13795
-[N-]=[N+]=Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1I MOL13796
-Cl.Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1I MOL13797
-COCCN1C2=CCCCC2=Nc2c(N)nc(N)nc21 MOL13798
-COCCN1C2=CCCCC2=Nc2c(O)nc(N)nc21 MOL13799
-CN(C)CC[N+]([O-])=C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 MOL13800
-CN(C)CCONC(=O)C12CC3CC(CC(C3)C1)C2 MOL13801
-CCN(CC)c1ccc2c(c1)N=C1N=CC=CN1C2(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 MOL13802
-COC(=O)C=C(C(=O)OC)C1(C)c2cc(C(=O)OC)c(C(=O)OC)c(N)c2C(=N)N1c1ccccc1 MOL13803
-O=C(O)C12C3CCCC1C2CC3 MOL13804
-CN1CCC2(C)c3ccc(O)cc3CC3CCCC1C32C MOL13805
-CN1CCC2(C)c3c(O)cccc3CC3CCCC1C32C MOL13806
-CN1CCC2(C)c3cc(O)ccc3CC3CCCC1C32C MOL13807
-CC1(C)C=N[N+]2(C)C3C=CC(CC3)C12.[I-] MOL13808
-Cn1nc(-c2ccccc2)c2c(C=Cc3ccccc3)onc2c1=O MOL13809
-CC1CCC2(OCCO2)C2(C)CC(O)C(=O)C=C12 MOL13810
-CC(=O)OC1CC2(C)C(C(C)=O)CCC2C2CC=C3CC(O)CCC3(C)C12 MOL13811
-CC1(O)CCC2(C)C(=O)C1(C)CCC21OCCO1 MOL13812
-CCOC(=O)C1=CC(C(C)CC(=O)CC(=O)O)CC1 MOL13813
-C=CC1(O)CCCC2=C(C(=O)OCC)CCC21C MOL13814
-CCOC(=O)C#CCCC=C(C)COC1CCCCO1 MOL13815
-CCOC(=O)C1=C(C)CC2C(=O)OC(=O)C2C1(C)C MOL13816
-CCOC(=O)C1C=CC(C)C2CCCCC12N1CCCC1 MOL13817
-C#CC1(O)CCCC2=CC(=O)CC21C MOL13818
-C#CC1(O)CCCC2=CC(=O)CCC21C MOL13819
-CC12CCC(=O)CC13CCC2OC(O)C3 MOL13820
-COC(=O)C12C3C=CC(O3)C1C1C=CC2O1 MOL13821
-O=C1C2CCCCC2C(=O)N1N1C(=O)C2CCCCC2C1=O MOL13822
-CC12CCC3C(CC4OC(=O)C35CCC(=O)C=C45)C1CCC2=O MOL13823
-CC(C)CCCC(C)C1CCC2C3C(O)C4CC45C=CCCC5(C)C3CCC12C MOL13824
-O=C1CC2C=CC1C2CO MOL13825
-CC12CCC(=O)C(O)=C1CCC2=O MOL13826
-CC12CCC(=O)C(OC(=O)c3ccc([N+](=O)[O-])cc3)=C1CCC2=O MOL13827
-CC1=C2CCC3(C)C(=CCC3O)C2(C)CCC1=O MOL13828
-CC1=C2C3CCCC(C3=O)C(C)C2CC1=O MOL13829
-CC(=O)OC1CN2CCC(O)C2C(O)C1O MOL13830
-CCCC(=O)OC1CN2CCC(O)C2C(O)C1O MOL13831
-CCCCCCCCCC(=O)OC1CN2CCC(O)C2C(O)C1O MOL13832
-CC1OC(=O)C(O)=C1O MOL13833
-COc1cc(O)c(C(=O)C=Cc2ccc(OC)c(OCc3ccccc3)c2)c(OC)c1 MOL13834
-O=C(c1ccccc1)C(C(=O)c1ccccc1)C1(O)C(=O)c2ccccc2C1=O MOL13835
-N#CC1(Cc2ccccc2Cl)c2ccccc2C=CN1C(=O)c1ccccc1 MOL13836
-O=C1OC(=O)C2C1C1(c3ccccc3)OC2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21 MOL13837
-O=c1c(-c2cccc3ccccc23)c(-c2cccc3ccccc23)c1=O MOL13838
-CCOC(=O)N1CCc2cc(OC)c(OC)cc2C1=Cc1ccc(OC)c(OC)c1 MOL13839
-CCOC(=O)N1CCc2cc(OC)c(OC)cc2C1=Cc1ccc(OC)c(OC)c1 MOL13840
-O=C(NC12CC3CCC1CC(C3)C2)C1CCCN1C(=O)OCc1ccccc1 MOL13841
-N#CC1(Cc2ccc(N)cc2)c2ccccc2C=CN1C(=O)c1ccccc1 MOL13842
-NC(=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1[N+](=O)[O-])C(=O)O MOL13843
-COc1cc(C(=C2SCCS2)c2nccc3cc(OC)c(OC)cc23)c([N+](=O)[O-])cc1OC MOL13844
-CCOC(=O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)OCC MOL13845
-CCOC(=O)Cc1ccc2c(c1O)C(=O)c1c(ccc(CC(=O)OCC)c1O)C2=O MOL13846
-O=C1C2C=CC(C3C=CC2N(Cc2ccccc2)C3=O)N1Cc1ccccc1 MOL13847
-CC(=O)N1CCC2(c3ccccc3N(C(C)=O)C2c2ccc(O)cc2)C1C(=O)O MOL13848
-COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3N(C(=O)OC(C)(C)C(Cl)(Cl)Cl)CC2 MOL13849
-O=C(C(O)c1cn(Cc2ccccc2)c2ccccc12)N1CCCCC1 MOL13850
-CCOC(=O)C1Cc2ccc3c4c(ccc(c24)C1)CC(C(=O)OCC)C3 MOL13851
-CC1(C)c2ccccc2C(C)(C)C(C(=O)Nc2ccccc2)C1C(=O)O MOL13852
-COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)c(C(=O)O)cc1OC MOL13853
-CC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C2NC(=O)C(Cc3ccccc3)NC(=O)C3CCCN3C(=O)CNC(=O)C(Cc3ccccc3)NC(=O)C3CNCCCCC(C(=O)O)NC(=O)C4NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(C(O)C(=O)O)NC(=O)C(CSCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CSC4C)C(=O)NC(CSC2C)C(=O)N3)NC1=O MOL13854
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.[NaH] MOL13855
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C MOL13856
-CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] MOL13857
-CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] MOL13858
-CCCCCCCCSC1OC(CO)C(O)C(O)C1O MOL13859
-COc1ccc(OC)c(Cc2c(OC)ccc(OC)c2O)c1O MOL13860
-COC1=C(CC(C)=O)C(=O)c2c(O)c(CO)cc(O)c2C1=O MOL13861
-CC1(C)CCC(=O)c2c(O)ccc(O)c21 MOL13862
-Cc1cc(C)c2c(c1)C(=O)c1c(O)ccc(O)c1C2=O MOL13863
-O=[N+]([O-])N1CCCS1(=O)=O MOL13864
-CCCCC1(C(NC(=O)c2ccccc2Cl)c2ccncc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O MOL13865
-COc1c(CC(C)=O)ccc2c1C(=O)c1ccc(C=O)c(OC(C)=O)c1C2=O MOL13866
-CCC(C(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C MOL13867
-Cc1cn2c(=O)c3ncn(C4OC(CO)C(O)C4O)c3n(C)c2n1 MOL13868
-CCOC(=O)C(O)=Cc1cc(OC)cc(=O)o1 MOL13869
-COc1c(C(=O)O)oc2c(OC)cccc12 MOL13870
-OCC1OC(n2ccc3cnccc32)CC1O MOL13871
-OCC1OC(n2ccc3c(O)nccc32)CC1O MOL13872
-Sc1nnc(Cc2ccccc2)c(S)n1 MOL13873
-Cc1ccc2c(c1)C(=O)N(N(C)C)CC(=O)N2 MOL13874
-CN(C)C1=CC(=O)C(=O)c2ccncc21 MOL13875
-O=C1C=C(N2CCCCC2)c2cnccc2C1=O MOL13876
-O=C1C=C(N2CCOCC2)c2cnccc2C1=O MOL13877
-CN(C)C1=CC(=O)C(=O)c2cnc(N(C)C)cc21 MOL13878
-O=C1C=C(N2CCCCC2)c2cc(N3CCCCC3)ncc2C1=O MOL13879
-O=C1C=C(N2CCOCC2)c2cc(N3CCOCC3)ncc2C1=O MOL13880
-O=C1C=C(N2CCCC2)c2cc(N3CCCC3)ncc2C1=O MOL13881
-COC1=C(C)C(=O)C(=O)c2ccccc21 MOL13882
-Cc1nc2c(O)cc(Br)c(O)c2nc1C MOL13883
-Cc1nc2c(O)cc(Cl)c(O)c2nc1C MOL13884
-Cc1nc2c(nc1C)C(=O)C(N)=CC2=O MOL13885
-Cc1nc2c(nc1C)C(=O)C(N(C)C)=CC2=O MOL13886
-CCN(CC)C1=CC(=O)c2nc(C)c(C)nc2C1=O MOL13887
-Cc1nc2c(nc1C)C(=O)C(N1CCCCC1)=CC2=O MOL13888
-Cc1nc2c(nc1C)C(=O)C(Br)=CC2=O MOL13889
-Cc1nc2c(nc1C)C(=O)C(Cl)=CC2=O MOL13890
-Cc1nc2c(nc1C)C(=O)C(Br)=C(N)C2=O MOL13891
-Cc1nc2c(nc1C)C(=O)C(Cl)=C(N)C2=O MOL13892
-COC1=CC(=O)c2cc(C)cc(-c3cc4ccc(=O)oc4cc3OC)c2C1=O MOL13893
-CCOC(=O)Cc1nc(C(C#N)=Cc2ccco2)nc(O)c1C#N MOL13894
-COC1=CC(=O)C(=O)c2ccc(C)nc21 MOL13895
-COC1=CC(=O)C(=O)c2c(C)ccnc21 MOL13896
-COC1=C(C)C(=O)C(=O)c2cccnc21 MOL13897
-COC1=C(C)C(=O)C(=O)c2ccc(C)nc21 MOL13898
-COC1=C(C)C(=O)C(=O)c2c(C)ccnc21 MOL13899
-CCC1=C(OC)c2ncccc2C(=O)C1=O MOL13900
-CCC1=C(OC)c2nc(C)ccc2C(=O)C1=O MOL13901
-CCC1=C(OC)c2nccc(C)c2C(=O)C1=O MOL13902
-Cc1ccc2c(n1)C(N1CCOCC1)=CC(=O)C2=O MOL13903
-Cc1ccnc2c1C(=O)C(=O)C=C2N1CCOCC1 MOL13904
-Cc1ccc2c(n1)C(N1CCCCC1)=CC(=O)C2=O MOL13905
-Cc1ccnc2c1C(=O)C(=O)C=C2N1CCCCC1 MOL13906
-CC1CCN(C2=CC(=O)C(=O)c3cccnc32)CC1 MOL13907
-Cc1ccc2c(n1)C(N1CCC(C)CC1)=CC(=O)C2=O MOL13908
-Cc1ccnc2c1C(=O)C(=O)C=C2N1CCC(C)CC1 MOL13909
-O=C1C=C(N2CCCC2)c2ncccc2C1=O MOL13910
-Cc1ccc2c(n1)C(N1CCCC1)=CC(=O)C2=O MOL13911
-Cc1ccnc2c1C(=O)C(=O)C=C2N1CCCC1 MOL13912
-Cc1ccc2c(n1)C(N(C)C)=CC(=O)C2=O MOL13913
-Cc1ccnc2c1C(=O)C(=O)C=C2N(C)C MOL13914
-CCN(CC)C1=CC(=O)C(=O)c2cccnc21 MOL13915
-CCC(=O)NC1=CC(=O)C(=O)c2cccnc21 MOL13916
-O=C1C=C(NC(=O)C2CCCCC2)c2ncccc2C1=O MOL13917
-O=C1C=C(NC(=O)c2ccc(Cl)cc2)c2ncccc2C1=O MOL13918
-CCCCCC(=O)OC1CN2CCC(O)C2C(O)C1O MOL13919
-Nn1c(-c2ccccc2Cl)nc2ccccc2c1=O MOL13920
-Nn1c(-c2cccc(Cl)c2)nc2ccccc2c1=O MOL13921
-Nn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O MOL13922
-O=c1c2ccccc2nc(-c2ccccc2)n1NC1OC(CO)C(O)C(O)C1O MOL13923
-O=c1c2ccccc2nc(-c2ccccc2Cl)n1NC1OC(CO)C(O)C(O)C1O MOL13924
-O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1NC1OC(CO)C(O)C(O)C1O MOL13925
-Cc1ccc(-c2nc3ccccc3c(=O)n2NC2OC(CO)C(O)C(O)C2O)cc1 MOL13926
-O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NC1OC(CO)C(O)C(O)C1O MOL13927
-O=c1c2ccc(Br)cc2nc(-c2ccccc2)n1NC1OC(CO)C(O)C(O)C1O MOL13928
-O=C(O)C(=O)O.O=c1c2ccccc2nc(-c2ccccc2)n1NCC1(O)OCC(O)C(O)C1O MOL13929
-O=C(O)C(=O)O.O=c1c2ccccc2nc(-c2ccccc2Cl)n1NCC1(O)OCC(O)C(O)C1O MOL13930
-O=C(O)C(=O)O.O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1NCC1(O)OCC(O)C(O)C1O MOL13931
-Cc1ccc(-c2nc3ccccc3c(=O)n2NCC2(O)OCC(O)C(O)C2O)cc1.O=C(O)C(=O)O MOL13932
-O=C(O)C(=O)O.O=c1c2cc(Br)ccc2nc(-c2ccccc2)n1NCC1(O)OCC(O)C(O)C1O MOL13933
-O=C(O)C(=O)O.O=c1c2cc(Br)ccc2nc(-c2ccccc2Cl)n1NCC1(O)OCC(O)C(O)C1O MOL13934
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccccc2c1=O MOL13935
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccc(C)cc2)nc2ccccc2c1=O MOL13936
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2)nc2ccc(Br)cc2c1=O MOL13937
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccc(Br)cc2c1=O MOL13938
-CC(=O)OC1C=CC23OC(=O)C1(C)C2C(C(=O)O)C12CC(=O)C(CO)(CCC13)C2 MOL13939
-CCOC(=O)NC1C2CC(=O)C(O2)C1OC MOL13940
-CCOC(=O)N1N=NC2C1C1CC(C#N)(OC(C)=O)C2O1 MOL13941
-O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1 MOL13942
-CCN(CC)CCCNc1nccc2c(C)c3c(cc12)c1cnccc1n3C.O=C(O)C=CC(=O)O MOL13943
-O=c1c2ccccc2n2n1CC(O)C2 MOL13944
-O=C1NC(O)n2c(=O)[nH]c(=O)n21 MOL13945
-O=C(O)C(Cc1ccccc1)N1C(=O)NC(=Cc2ccc(F)cc2)C1=O MOL13946
-Clc1ccc2nc(CCSCCc3nc4ccc(Cl)cc4[nH]3)[nH]c2c1 MOL13947
-COC1=CC(=O)c2nc(C)ccc2C1=O MOL13948
-COC1=CC(=O)c2nc(COC(C)=O)ccc2C1=O MOL13949
-COC1=CC(=O)c2nccc(C)c2C1=O MOL13950
-COC1=C(C)C(=O)c2ncccc2C1=O MOL13951
-COC1=C(C)C(=O)c2nc(Cl)ccc2C1=O MOL13952
-COC1=C(C)C(=O)c2nc(C)ccc2C1=O MOL13953
-COC1=C(C)C(=O)c2nc(COC(C)=O)ccc2C1=O MOL13954
-COC1=C(C)C(=O)c2nccc(C)c2C1=O MOL13955
-COC1=C(C)C(=O)c2nc(Cl)cc(C)c2C1=O MOL13956
-CCCCCCCCC1=C(OC)C(=O)c2cccnc2C1=O MOL13957
-CCCCCCCCC1=C(OC)C(=O)c2ccc(Cl)nc2C1=O MOL13958
-CCCCCCCCC1=C(OC)C(=O)c2ccc(C)nc2C1=O MOL13959
-CCCCCCCCC1=C(OC)C(=O)c2ccc(COC(C)=O)nc2C1=O MOL13960
-CCCCCCCCC1=C(OC)C(=O)c2c(C)ccnc2C1=O MOL13961
-CCCCCCCCC1=C(OC)C(=O)c2c(C)cc(Cl)nc2C1=O MOL13962
-CCCCCCCCCCCCC1=C(OC)C(=O)c2cccnc2C1=O MOL13963
-CCCCCCCCCCCCC1=C(OC)C(=O)c2ccc(C)nc2C1=O MOL13964
-O=C1C=CC(=O)c2c(-c3ccccc3[N+](=O)[O-])cc(Cl)nc21 MOL13965
-N=c1ccn(C2OC(CO)CC2F)c(=O)[nH]1 MOL13966
-Cc1cn(C2CC(O)C(CO)O2)c(=O)n2nnnc12 MOL13967
-COc1ccc2nc3ccccc3c(NCCCCN(C)CCCl)c2c1.Cl MOL13968
-O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O MOL13969
-O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O MOL13970
-C=C1C(=O)OC(CCCCC)C1C(=O)O MOL13971
-N#CC1(C2SCCS2=O)C2=C(C(=O)c3ccccc3C2=O)N2CCCC21 MOL13972
-O=C1c2ccccc2C(=O)C1(Cl)C1(Cl)C(=O)c2ccccc2C1=O MOL13973
-O=C(O)c1c2c(c(C(=O)O)c3ccccc13)-c1ccccc1-2 MOL13974
-Clc1ccc2cccc3c2c1C1OC3c2ccccc21 MOL13975
-c1c2c(cc3c1OCO3)C(c1onc3cc4c(cc13)OCO4)=NCC2 MOL13976
-C1=CC2CCC1CN2CCC1CNc2ccccc21 MOL13977
-COc1ccc2c(C(=O)O)cc3ccccc3c2c1OC MOL13978
-ON1CCc2c([nH]c3ccccc23)C1c1ccccc1Br MOL13979
-ON1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1 MOL13980
-COc1ccc(C(C#N)=C(N)SCc2ccccc2Cl)cc1 MOL13981
-COc1ccc(-c2cc3ccccc3nc2O)cc1OC MOL13982
-O=[N+]([O-])C1(CO)COC2(OC1)c1ccccc1-c1ccccc12 MOL13983
-COc1cc(Br)c(C(=Cc2ccccc2N)C(=O)O)cc1OC MOL13984
-O=C(C(=O)N1CC2C=CC1CC2)c1c[nH]c2ccccc12 MOL13985
-COc1cc(O)c(C(=O)C2Cc3ccccc32)c(OC)c1 MOL13986
-COC(=O)C1=C(C(=O)OC)SC(C(C(=O)OC)=C2SC3=C(CCCC3)S2)S1 MOL13987
-CC(=O)Nc1c(C)ccc2c1C(=O)c1ccccc1C2=O MOL13988
-O=C1C=C(Br)c2c(-c3ccccc3)oc3cccc1c23 MOL13989
-O=C1OC(=O)c2c1nc1ccccc1c2-c1ccccc1 MOL13990
-O=C1C=Cc2c(-c3ccccc3)oc3cccc1c23 MOL13991
-O=C(O)C(O)=C1C=C(c2ccccc2)c2ccccc21 MOL13992
-COC(=O)Cc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O MOL13993
-COc1ccccc1C(=O)N(C)c1ccc(Cl)c(C(=O)OC(C)C)c1 MOL13994
-NCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O MOL13995
-CC12C(=O)N(CCN)C(=O)C1C1c3ccccc3C2c2ccccc21 MOL13996
-CC(=O)OC12C=CC(=O)N1c1ccccc1C(=O)O2 MOL13997
-CC(=O)OC12C(C)=C(C)C(=O)N1c1ccccc1N2C(C)=O MOL13998
-C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C MOL13999
-C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C MOL14000
-C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C MOL14001
-C=C1C(OC(=O)C(OC(C)=O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(OC(C)=O)C12)C3(C)C MOL14002
-C=C1C(OC(=O)CC(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(C(O)C12)C3(C)C MOL14003
-C=C1C(OC(=O)C(OC(C)=O)C(c2ccccc2)N(C)C)CC(O)C2(C)C1CC1CC(OC(C)=O)C(C)=C(C(OC(C)=O)C2O)C1(C)C MOL14004
-COC1(OC)CC2CCCCC2=C(C)N1S(=O)(=O)c1ccccc1 MOL14005
-CCOC(=O)c1c[nH]c2nc(=O)c3ccccc3n2c1=O MOL14006
-CCOC(=O)c1cnc2oc(-c3ccc(OC)cc3)nn2c1=O MOL14007
-COc1cc2c(cc1O)C1(C(=O)c3ccc4c(c3C1O)OCO4)N(C)CC2 MOL14008
-CCCC[Sn]1(CCCC)OC(=O)c2cccc(C)c2O1 MOL14009
-CCCC[Sn]1(CCCC)OC(=O)c2ccc(C)cc2O1 MOL14010
-CCCC[Sn]1(CCCC)OC(=O)c2ccc(N)cc2O1 MOL14011
-Nc1ccc2c(c1)O[Sn](c1ccccc1)(c1ccccc1)OC2=O MOL14012
-CCCC[Sn]1(CCCC)OC(=O)c2cc(I)cc(I)c2O1 MOL14013
-CCCC[Sn]1(CCCC)OC(=O)c2cccc(OC)c2O1 MOL14014
-C=CCCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL14015
-OCC(O)CCC[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL14016
-OCC(O)CCC[Sn](Br)(c1ccccc1)c1ccccc1 MOL14017
-CC(=O)OCC(CCC[Sn](Cl)(Cl)c1ccccc1)OC(C)=O MOL14018
-c1ccc([Sn](Oc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1 MOL14019
-c1ccc([Sn](Sc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1 MOL14020
-CCCC[Sn](CCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12 MOL14021
-CCCC[Sn](CCCC)(Sc1cccc2cccnc12)Sc1cccc2cccnc12 MOL14022
-c1ccc(C[Sn](Cc2ccccc2)(Oc2cccc3cccnc23)Oc2cccc3cccnc23)cc1 MOL14023
-c1ccc(C[Sn](Cc2ccccc2)(Sc2cccc3cccnc23)Sc2cccc3cccnc23)cc1 MOL14024
-c1ccc([Sn](Oc2cccc3cccnc23)(Oc2cccc3cccnc23)c2ccccc2)cc1 MOL14025
-c1ccc([Sn](Sc2cccc3cccnc23)(Sc2cccc3cccnc23)c2ccccc2)cc1 MOL14026
-C=C[Sn](C=C)(Oc1cccc2cccnc12)Oc1cccc2cccnc12 MOL14027
-C=C[Sn](C=C)(Sc1cccc2cccnc12)Sc1cccc2cccnc12 MOL14028
-Oc1ccncc1-c1cnccc1O MOL14029
-Oc1cccc(-c2cccc(O)n2)n1 MOL14030
-NC(CCCC(N)P(=O)(O)O)P(=O)(O)O MOL14031
-Cc1csc(CCC(N)C(=O)O)n1 MOL14032
-NC(CCc1nc(-c2ccccc2)cs1)C(=O)O MOL14033
-NC(CCc1ncc(-c2ccccc2)s1)C(=O)O MOL14034
-NC(CCc1ncc(C(=O)O)s1)C(=O)O MOL14035
-O=C(CCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O MOL14036
-CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)CNC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(N)C(C)C)C(C)C)C(C)C)C(=O)O MOL14037
-CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(N)CCC(N)=O)C(C)C)C(C)C)C(C)O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)O MOL14038
-CCC(C)C(NC(=O)CNC(=O)C(C)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CCCCN)C(C)CC)C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O MOL14039
-CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C(C)O MOL14040
-CCC(N)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)O MOL14041
-CC1C=C(OC(=O)c2ccccc2)C(=O)C(n2cc(F)c(=O)[nH]c2=O)O1 MOL14042
-CSC(=C(S)c1ccccc1)c1ccccc1 MOL14043
-COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(C)CC3 MOL14044
-COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(Cc1ccccc1)CC3 MOL14045
-COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(Cc1ccc([N+](=O)[O-])cc1)CC3 MOL14046
-COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)N(C(=O)C=Cc1ccccc1)CC3 MOL14047
-COc1cc(C(=O)N2CCc3c([nH]c4c([N+](=O)[O-])c(OC)ccc34)C2C)cc(OC)c1OC MOL14048
-COc1ccc2c3c([nH]c2c1[N+](=O)[O-])C(C)=NCC3 MOL14049
-C=C1c2[nH]c3c([N+](=O)[O-])c(OC)ccc3c2CCN1C(C)=O MOL14050
-COc1ccc2c(CCNC(C)=O)c(C(C)=O)[nH]c2c1 MOL14051
-COc1ccc2c(CCNC(=O)C=Cc3ccccc3)c(C(C)=O)[nH]c2c1[N+](=O)[O-] MOL14052
-COc1ccc2c(CCNS(=O)(=O)c3ccccc3)c(C(C)=O)[nH]c2c1[N+](=O)[O-] MOL14053
-C=CCOC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)C(C)CCC4(C(=O)O)CCC23C)C1(C)C MOL14054
-CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)c6ccccc6)C(C)(C)C5CCC43C)C2C1C MOL14055
-CC1CCC23CCC4(C)C5(C)CCC6C(C)(C)C(=O)CCC6(C)C5C=CC4(OC2=O)C3C1C MOL14056
-CC1CCC2(C(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C MOL14057
-COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)C(O)C2 MOL14058
-Cc1cc(=O)oc2c(C3=NN(C=O)C(c4ccccc4)C3)c(O)ccc12 MOL14059
-COc1ccc(-c2cc(Cc3cccs3)c(O)nn2)cc1 MOL14060
-[O-]c1c(-c2ccccc2)sc(-c2ccccc2O)[n+]1-c1ccccc1 MOL14061
-COc1nc(O)c2[nH]c(=N)n(C3OC(CO)C(O)C(O)C3O)c2n1 MOL14062
-COc1nc2c([nH]c(=N)n2C2OC(CO)C(O)C(O)C2O)c(=O)n1C MOL14063
-COc1nc2c([nH]c(=N)n2C2OCC(O)C(O)C2O)c(=O)n1C MOL14064
-CSc1nc(O)c2[nH]c(=N)n(C3OC(CO)C(O)C(O)C3O)c2n1 MOL14065
-CSc1nc(O)c2[nH]c(=N)n(C3OCC(O)C(O)C3O)c2n1 MOL14066
-CSc1nc2c([nH]c(=N)n2C2OC(CO)C(O)C(O)C2O)c(=O)n1C MOL14067
-CSc1nc2c([nH]c(=N)n2C2OCC(O)C(O)C2O)c(=O)n1C MOL14068
-COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1C MOL14069
-CSc1nc(O)c(N=C(C)C(C)=O)c(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n1 MOL14070
-CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=C(C)C(C)=O)c(=O)n1C MOL14071
-COc1nc(O)c(N=CC=Nc2c(O)nc(OC)nc2NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n1 MOL14072
-COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(OC)n(C)c2=O)c(=O)n1C MOL14073
-CSc1nc(O)c(N=CC=Nc2c(O)nc(SC)nc2NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n1 MOL14074
-CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=CC=Nc2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(SC)n(C)c2=O)c(=O)n1C MOL14075
-COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(C(=O)CCl)c(=O)n1C MOL14076
-COc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(C(=O)CCl)c(=O)n1C MOL14077
-CC(=O)OCC1OC(Nc2cc(O)nc(O)n2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL14078
-CC(=O)OCC1OC(Nc2cc(=O)n(C)c(=O)[nH]2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL14079
-COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O MOL14080
-CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O MOL14081
-Cc1c(OC(C)C(=O)O)ccc2c(-c3ccccc3)cc(=O)oc12 MOL14082
-Cc1c(C)c2ccc(OC(C)C(=O)O)cc2oc1=O MOL14083
-CC(Oc1ccc2c(-c3ccc(Cl)cc3)cc(=O)oc2c1)C(=O)O MOL14084
-CC(Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1)C(=O)O MOL14085
-Cc1c(C(=N)N)oc2ccccc12.Cl MOL14086
-CC(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O MOL14087
-O=C(C=Cc1ccc(O)cc1)c1cc(Cl)ccc1O MOL14088
-CC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)O MOL14089
-O=C1CC2C=C(S(=O)(=O)c3ccccc3)C1N(Cc1ccccc1)C2=O MOL14090
-COC1(OC)CC2C=C(S(=O)(=O)c3ccccc3)C1N(Cc1ccccc1)C2=O MOL14091
-O=C1CC2C(=O)N(Cc3ccccc3)C1C=C2S(=O)(=O)c1ccccc1 MOL14092
-COC1(OC)CC2C(=O)N(Cc3ccccc3)C1C=C2S(=O)(=O)c1ccccc1 MOL14093
-COC1(OC)CC2C(=O)N(Cc3ccccc3)C1C(S(=O)(=O)c1ccccc1)C2S(=O)(=O)c1ccccc1 MOL14094
-O=C1CC2C(=O)N(Cc3ccccc3)C1C(S(=O)(=O)c1ccccc1)C2S(=O)(=O)c1ccccc1 MOL14095
-CCC(CO)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CCO MOL14096
-CCN(CC)CC.O=C1c2ccccc2C(=O)C1(Cl)C1(S(=O)(=O)O)c2ccccc2-c2ccccc21 MOL14097
-CN1C(=O)C(Cl)(C(Cl)(Cl)S(=O)(=O)O)C(=O)c2ccccc21.c1ccncc1 MOL14098
-COc1nc(OC)c2c(=O)oc(-c3ccccc3)cc2n1 MOL14099
-COc1ccc2c(c1OC)CN(C)CCc1cc3c(c(OC)c1C(=O)C2)OCO3 MOL14100
-O=[N+]([O-])C(=C(c1ccccc1)c1ccccc1)[N+](=O)[O-] MOL14101
-O=[N+]([O-])C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL14102
-COc1ccc(C(=C[N+](=O)[O-])c2ccc(OC)cc2)cc1 MOL14103
-COc1ccc(C(=C(C#N)C#N)c2ccc(OC)cc2)cc1 MOL14104
-O=[N+]([O-])C(=C1c2ccccc2-c2ccccc21)[N+](=O)[O-] MOL14105
-O=[N+]([O-])C=C1c2ccccc2-c2ccccc21 MOL14106
-N#CC1CC2(C1)OCCS2 MOL14107
-CC=C1C=[N+]([O-])C2CC1C(C(=O)OC)C13CC(OC)OC21Nc1ccccc13 MOL14108
-COc1ccc2c(c1)OCCCN(C)OC2c1ccccc1 MOL14109
-O=S1OC2(c3ccccc3-c3ccccc32)c2ccccc21 MOL14110
-O=C1CCC(S(=O)(=O)c2ccccc2)C(C=Cc2ccccc2)O1 MOL14111
-O=[N+]([O-])c1nccn1COCCO MOL14112
-CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)OC1C MOL14113
-OCCC1(O)CCC(O)CC1 MOL14114
-Cn1c(=O)c2ccc(-c3ccc(Br)cc3)nc2n(C)c1=O MOL14115
-CC1CC(=O)c2c(ccc3c2C(=O)c2cccc(O)c2C3=O)C1 MOL14116
-Cc1c(-c2ccccc2)c(=O)oc2ccc(Cl)cc12 MOL14117
-COc1ccc(C2(CN(C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC MOL14118
-COc1ccc(C2COc3c(ccc(OC)c3OC)C2=O)cc1OC MOL14119
-C=C=C(CC)C(C(=O)OC)N(CC)CC.Cl MOL14120
-CCC1=CC2CC(C(=O)OC)C1(N(C)C)C2=O MOL14121
-O=C1CCC(S(=O)(=O)c2ccccc2)C(C=Cc2ccccc2)O1 MOL14122
-O=C1C=C(c2c(O)ccc3ccccc23)c2ccccc2C1=O MOL14123
-O=S1C(=c2ccc(=C3Sc4ccccc4S3)cc2)Sc2ccccc21 MOL14124
-BrC12c3ccccc3Sc3ccccc3C1(Br)c1ccccc12 MOL14125
-N#CC(C#N)=c1ccc(=C2NCC3CCCN23)cc1 MOL14126
-CC1=C(C)CC2(SC1)C(=O)c1ccccc1C2=O MOL14127
-COc1cc2noc(-c3ccccc3)c2cc1OC MOL14128
-N#CC1(C#N)C=CC(=C2OCC3CCCN23)C=C1 MOL14129
-O=C(c1c(O)cc(O)cc1O)C1Cc2ccccc21 MOL14130
-C[S+]=c1sc2ccccc2s1.O=S(O)(=[OH+])F MOL14131
-O=C1c2ccccc2C(=O)c2c1ccc1conc21 MOL14132
-O=C1c2ccccc2-c2ccccc2C(=O)C1(Br)Br MOL14133
-O=C1C(=NO)S(=O)(=O)c2ccccc21 MOL14134
-O=C1C(=NO)c2ccccc2S1(=O)=O MOL14135
-COc1cc2c(c(OC)c1OC)CCNC2C1=C(O)COC1=O MOL14136
-CCOC(=O)N1CCc2cc(OC)c(OC)c3c2C1CC3=O MOL14137
-Cc1cc2c(c(N)c1C)C(=O)c1ccccc1C2=O MOL14138
-COc1cc2ccnc3c2c(c1OC)-c1coc(SC)c1-3 MOL14139
-O=C(O)C1c2ccccc2C(C(=O)O)c2ccccc21 MOL14140
-COC(=O)c1cc(=O)nc2cc3cccccc3n12 MOL14141
-Cc1cc(=O)n(-c2cc3cccccc-3n2)[nH]1 MOL14142
-Cc1cc(=O)n2c(cc3cccccc32)n1 MOL14143
-CCOC(=O)c1c2cccccc2n2c(=O)cc(C)nc12 MOL14144
-CCOC(=O)c1cnc2cc3cccccc3n2c1=O MOL14145
-Nc1ncc2ncn(C3CCC(CO)O3)c2n1 MOL14146
-CC(=O)OCC1C(OC(C)=O)CC2OC(=O)CC21 MOL14147
-O=C(O)C1(C(=O)O)CC23CCC2(COC3)C1 MOL14148
-O=C(O)C1C(C(=O)O)C2C3C4C1C1C2C3C41 MOL14149
-O=C(O)C1C(C(=O)O)C2C3C4C1C1C2C3C41 MOL14150
-S=C1OC2C3C4CC5C3C(O1)C1C5C4C21 MOL14151
-CC(=CC(=O)O)C1=C(C)CC2OCC(=O)C(C)C2C1 MOL14152
-CC(=O)OC1CCC2(C)C(=CCC3C4=CC=C(C(C)=O)C4(C)CCC32)C1 MOL14153
-CC1=C2C3OC(=O)C(C)C3C(O)CC2(C)C(=O)CC1 MOL14154
-O=C1C=CC2(CCCCCCC2=O)CC1 MOL14155
-Cc1cc(C(C)C)cc(=O)c(O)c1 MOL14156
-Oc1nc2ccccc2c2c1CCO2 MOL14157
-CC1=C2C(O)C(C(C)CO)C(O)CC2(C)C(O)CC1 MOL14158
-OCC1(CO)CCC1(CO)CO MOL14159
-COC(=O)C1=CCC2C(C(=O)OC)CCC2(C)CC(O)=C1C(=O)OC MOL14160
-CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C(O)CCC12 MOL14161
-CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)C(C)C)C(C)O)C(=O)O MOL14162
-O=c1c(=O)c2c3c(ccc12)OCO3 MOL14163
-Nc1ncnc2c1ncn2C1CC(CO)C(CO)O1 MOL14164
-CC12CCC3C(CCC4(C=N)CC(=O)CCC34C)C1CCC2O MOL14165
-COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1C(NC(C)=O)CC2 MOL14166
-CCOC(=O)C1(C)CCC(C(C(=O)O)C(=O)O)CC1=O MOL14167
-CC1CCC(=[N+](C)[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CCC(C(C)C(=O)O)C=C12 MOL14168
-CC(=O)OC1CCC2C3CCC4(C)CC(=O)C=CC4(C)C3CCC12C MOL14169
-CC1CC(=O)C2CCCC1C2=O MOL14170
-CC1(CC(=O)O)C(=O)CCCC1=O MOL14171
-COC(=O)C1C=CCC2CCCCC21N1CCCC1 MOL14172
-Cc1cccc(O)c(=O)c1 MOL14173
-NC(=O)Nn1c2c(c3c1CCCC3)CCCC2 MOL14174
-CC1=C2CCC(O)CC2(C)C(O)C1C MOL14175
-C=CCC12CCC(O)C1(C)CCC(=O)C2=NN MOL14176
-C=CCC12CCC(=O)C1(C)CC=C(O)C2=O MOL14177
-C=CCC1(C)CCCCC1(O)CS(=O)c1ccccc1 MOL14178
-C=CCOC1=C2CCC(O)C2(C)CCC1=O MOL14179
-CC12CCC3(OCCO3)C(OC(=O)c3ccccc3)=C1CCC21OCCO1 MOL14180
-CC(=O)C1CC2=C(CCC1=O)CCC1(CC2)OCCO1 MOL14181
-CC1=CC(=O)C2(C)CCC3(O)CCCC132 MOL14182
-OCC1C2C=CC(O2)C1CO MOL14183
-O=C1c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3CC=CC4)C(=O)N1Cc1ccccc1 MOL14184
-CC(=O)OCCOCn1c2ccccc2c2c3c(c4c5ccccc5n(COCCOC(C)=O)c4c21)C(=O)N(Cc1ccccc1)C3=O MOL14185
-O=C1c2c(c3c4ccccc4n(CC4CO4)c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1 MOL14186
-CC(=O)OCCOCn1c2ccccc2c2c3c(c4c5ccccc5n(COCCO)c4c21)C(=O)N(Cc1ccccc1)C3=O MOL14187
-O=C1c2c(c3c4ccccc4n(COCCO)c3c3[nH]c4ccccc4c23)C(=O)N1Cc1ccccc1 MOL14188
-COC(=O)C1=C(C(=O)OC)SC(=Cc2ccccc2C=C2SC(C(=O)OC)=C(C(=O)OC)S2)S1 MOL14189
-Nc1ccc2c(c1)CC1c3ccccc3C(C2)c2ccccc21 MOL14190
-O=C(O)c1ccc([N+](=O)[O-])c2c(=O)c3ccccc3[nH]c12 MOL14191
-COc1cc2cccc(OC)c(=O)c2c(O)c1OC MOL14192
-CC1(C)CC(=O)c2c(oc3cc(O)c(O)cc23)C1 MOL14193
-COc1c(OC(C)=O)ccc(C=C2N=C(C)OC2=O)c1[N+](=O)[O-] MOL14194
-O=C(O)C(=Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 MOL14195
-COc1ccc(-n2cc3c(c2)C(=O)OC3=O)cc1OC MOL14196
-Nc1ccc(C(=O)O)c2[nH]c3ccccc3c(=O)c12 MOL14197
-O=Cc1ccc(-c2ccc(-c3ccc(C=O)s3)o2)s1 MOL14198
-S=C1SCC2CCCN12 MOL14199
-O=C(O)c1cocc1C(=O)O MOL14200
-O=C(O)c1sc(=S)sc1C(=O)O MOL14201
-S=c1sc2sc(=S)sc2s1 MOL14202
-C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC(O)C(=CCO)C(=O)O MOL14203
-CCOC(=O)C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 MOL14204
-O=C1c2ccccc2C(=O)c2c1c(-c1ccccc1)cc(CCO)c2-c1ccccc1 MOL14205
-C=CCn1c(-c2ccccc2)nn(CC(=O)Nn2c(C)nc3ccccc3c2=O)c1=S MOL14206
-Nc1nc(Cl)c2ncn(C3OC(CO)CC3F)c2n1 MOL14207
-Nc1nc(O)c2ncn(C3OC(CO)CC3F)c2n1 MOL14208
-CC(C(N)=O)N(C)C(=O)c1cnc2ccccc2c1 MOL14209
-CC(C(N)=O)N(C)C(=O)c1cc2ccccc2[n+](Cc2ccccc2)c1.[Br-] MOL14210
-CC1C(=O)N=C2C(=CN(Cc3ccccc3)c3ccccc32)C(=O)N1C MOL14211
-O=c1c2cc(Br)ccc2oc2ccc(Br)cc12 MOL14212
-N#Cc1ccc2oc3ccc(C#N)cc3c(=O)c2c1 MOL14213
-Cl.N=C(N)c1ccc2oc3ccc(C(=N)N)cc3c(=O)c2c1 MOL14214
-O=C(CCNC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL14215
-OC(CCNC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL14216
-O=S(=O)(c1ccccc1)N1CCCC(c2ccccc2)CC1 MOL14217
-CCOC(=O)CC1NCCc2cc(OC)c(OC)c([N+](=O)[O-])c21 MOL14218
-COc1nc2c(nnn2C2OCC(O)C(O)C2O)c(=O)n1C MOL14219
-COc1nc2c(nnn2C2OC(CO)C(O)C(O)C2O)c(=O)n1C MOL14220
-COc1nc(N)c(N=O)c(=O)n1C MOL14221
-COc1nc(N)c(N(C(C)=O)C(C)=O)c(O)n1 MOL14222
-COc1nc(N)c(NC2OC(CO)C(O)C(O)C2O)c(=O)n1C MOL14223
-COc1nc(O)c2nn[nH]c2n1 MOL14224
-COc1nc(O)c2nc[nH]c2n1 MOL14225
-COc1nc2ncn(C(C)=O)c2c(=O)n1C MOL14226
-O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1Cc1ccccc1)C1C(=O)N(Cc2ccccc2)C(=O)C31 MOL14227
-CC(=O)N1c2ccccc2C2=CC3C4C(=O)N(c5ccccc5)C(=O)C4C21C1C(=O)N(c2ccccc2)C(=O)C31 MOL14228
-O=C1C=CC(=O)c2c1ccc1c2[nH]c2ccccc21 MOL14229
-O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2ccccc21 MOL14230
-CCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O MOL14231
-Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4 MOL14232
-COc1cc(OC)c(C2=NOC(n3c4ccccc4c4ccccc43)C2)c(OC)c1 MOL14233
-C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1CCOC1=O MOL14234
-C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC(O)C1=CCOC1=O MOL14235
-COc1cc(Br)c(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC MOL14236
-CCCC(O)C(O)c1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O MOL14237
-COc1ccc2c(c1OC)C1=NCCc3c(OC)c(OC)c(OC)c-2c31 MOL14238
-CCC(O)C1Cc2c(C)cc3c(c2O1)C(=O)c1ccccc1C3=O MOL14239
-COc1cc2c3c(c1OC)C(=O)C=C3N(S(=O)(=O)c1ccc(C)cc1)CC2 MOL14240
-COc1cc2ccnc(-c3n[nH]c4cc(OC)c(OC)cc34)c2cc1OC MOL14241
-O=C1OC2(c3ccccc3Oc3ccccc32)c2ccccc21 MOL14242
-COC(=O)C1=C(C(=O)OC)SC(=C(N=Nc2ccccc2)c2ccccc2)S1 MOL14243
-O=C1C=CC(=O)C2C1Cc1ccccc1C2c1ccccc1 MOL14244
-COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3N(C(C)=O)CC2 MOL14245
-CC(C)OC(=O)c1cc(NC(=S)OC(C)C)ccc1Cl MOL14246
-CCCCCCCCCCCCCc1nn[nH]n1 MOL14247
-COc1ccc2nc3ccccc3c(NCCCCCCN(CCCl)CCCl)c2c1.Cl MOL14248
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccc(Cl)cc1 MOL14249
-O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL14250
-O=[N+]([O-])c1ccc2c(c1)-c1ccccc1S2(=O)=O MOL14251
-O=[N+]([O-])c1ccccc1CS(=O)(=O)c1ccccc1 MOL14252
-O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccccc2)cc1 MOL14253
-O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 MOL14254
-O=[N+]([O-])c1ccccc1Sc1ccccc1[N+](=O)[O-] MOL14255
-O=[N+]([O-])c1ccccc1Nc1ccccc1 MOL14256
-NS(=O)(=O)c1ccccc1[N+](=O)[O-] MOL14257
-O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1 MOL14258
-Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 MOL14259
-O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(Cl)cc1 MOL14260
-O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1 MOL14261
-O=[N+]([O-])c1ccccc1OS(=O)(=O)c1ccccc1 MOL14262
-CCOC(=O)C(CC)c1cc2n(c(=O)c1C#N)CCC21OCCO1 MOL14263
-O=C(O)CCSC(=O)Nc1ccccc1 MOL14264
-O=C(O)CCSC(=S)Nc1ccccc1 MOL14265
-O=C(O)CCSC(=O)Nc1cccc([N+](=O)[O-])c1 MOL14266
-O=C(O)CCSC(=O)Nc1ccc([N+](=O)[O-])cc1 MOL14267
-O=C(O)CCSC(=S)Nc1ccc([N+](=O)[O-])cc1 MOL14268
-O=C(O)CCSC(=O)Nc1ccccc1F MOL14269
-Cc1ccc(NC(=O)SCCC(=O)O)cc1NC(=O)SCCC(=O)O MOL14270
-Cc1ccc(NC(=S)SCCC(=O)O)cc1 MOL14271
-O=C(O)CCSC(=O)Nc1cccc(F)c1 MOL14272
-COc1cc(-c2ccc(NC(=O)SCCC(=O)O)cc2OC)ccc1NC(=O)SCCC(=O)O MOL14273
-CCOC(=O)c1ccc(NC(=O)SCCC(=O)O)cc1 MOL14274
-Cc1ccc(S(=O)(=O)c2ccc(NC(=O)SCCC(=O)O)cc2)cc1 MOL14275
-Cc1ccc(NC(=O)SCCC(=O)O)cc1 MOL14276
-O=C(Nc1ccc(N=Nc2ccccc2)cc1)Sc1ccccc1C(=O)O MOL14277
-CC(SC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)O MOL14278
-O=C(O)CSC(=O)Nc1ccc(N=Nc2ccccc2)cc1 MOL14279
-CC(SC(=S)Nc1cccc(F)c1)C(=O)O MOL14280
-O=C(O)CCCSC(=O)Nc1ccc(N=Nc2ccccc2)cc1 MOL14281
-COC(=O)CCSC(=O)Nc1ccccc1Cl MOL14282
-N#CC1(C#N)C2C=CC(c3coc4cccc2c34)C1(C#N)C#N MOL14283
-CCNC(CCCC(NCC)P(=O)(O)O)P(=O)(O)O MOL14284
-O=P(O)(O)C1CCCC(P(=O)(O)O)N1 MOL14285
-NC(CCCC(N)P(=O)(O)O)C(=O)O MOL14286
-NCC(=O)NC(CCCC(NC(=O)CN)P(=O)(O)O)P(=O)(O)O MOL14287
-NC(CCc1nc(-c2ccc(Cl)cc2)cs1)C(=O)O MOL14288
-COc1ccccc1-c1csc(CCC(N)C(=O)O)n1 MOL14289
-NC(CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)O MOL14290
-CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O MOL14291
-O=C1c2c(O)cccc2Cc2cccc(O)c21 MOL14292
-C1CNCCNCCNCCN1 MOL14293
-C1CN2CCN3CCN4CCN1[PH]243 MOL14294
-C[SH+][Pt+2]1([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[N+]23CCN4CCN5CCN(CC2)[PH-]5431 MOL14295
-CC(=O)OC1(C)OC(=O)C(C)N1[N+](=O)[O-] MOL14296
-CC(=O)OC1(C)OC(=O)C(CC(C)C)N1[N+](=O)[O-] MOL14297
-CC(C(N)C(=O)NC(C(=O)O)C1OC(c2cnc(O)nc2O)C(O)C1O)C(O)c1ccc(O)cn1 MOL14298
-CCOC(=O)C(Sc1ccccc1)c1c(OC)cc(=O)oc1C=[N+]([O-])c1ccc(N(C)C)cc1 MOL14299
-CCOC(=O)C12CN(C34CC5CC(CC(C5)C3)C4)CC(C(=O)OCC)(C1=O)C(c1ccccc1)OC2c1ccccc1 MOL14300
-CSc1snc2sc3c(Cl)nnnc3c12 MOL14301
-COC(=O)C1Cc2c(n(C)c3ccccc23)C(c2ccccc2)N1 MOL14302
-COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1 MOL14303
-COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2O)N1Cc1ccccc1 MOL14304
-COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2O)N1 MOL14305
-CCC1NC(C(=O)OC)Cc2c1[nH]c1ccccc21 MOL14306
-COC(=O)C1Cc2c([nH]c3ccccc23)C(C2CCCCC2)N1 MOL14307
-COC(=O)C1CC2c3c(c4ccccc4n3C)CC(C1=O)N2C MOL14308
-CCC(=O)C1=C(OC(C)=O)C2Cc3c(n(C)c4ccccc34)C(C1)N2C MOL14309
-O=C(O)C1NCCc2c1[nH]c1ccccc21 MOL14310
-O=C(O)C1Cc2nc[nH]c2CN1 MOL14311
-CCC1NCC(=O)c2c1[nH]c1ccccc21 MOL14312
-O=C(O)CCC1c2[nH]c3ccccc3c2CCN1Cc1ccccc1 MOL14313
-CCC(Br)=C1CC2c3c(c4ccccc4n3C)CC(C1=O)N2Cc1ccccc1 MOL14314
-COC(=O)C1Cc2c(n(Cc3ccccc3)c3ccccc23)C(CCC(=O)O)N1C(C)C MOL14315
-CC=C(NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C1CSC(C)C(NC(=O)C2CSCC(NC(=O)C(C)NC(=O)C(N)C(C)CC)C(=O)NC(CCCCN)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(C)C)C(=O)N2)C(=O)N2CCCC2C(=O)NCC(=O)N1)C(=O)NCC(=O)NC1CSCC2NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CSC=CNC2=O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2ccccc2)NC1=O MOL14316
-CN1CC(=O)N2Cc3ccccc3-n3cccc3C2C1 MOL14317
-N.O=C(O)c1cc(C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)ccc1O MOL14318
-N.O=C(O)c1cc(Cc2ccc(O)c(C(=O)O)c2)ccc1O MOL14319
-N.O=C(O)c1ccccc1O MOL14320
-CN1C(c2ccccc2)CS(=O)(=O)CS1(=O)=O MOL14321
-CC1=NN=C(NCCN(C)C)CC1=Cc1ccccc1Cl MOL14322
-O=C1Nc2nc3ccccc3n2N=C2CCCC12 MOL14323
-COc1c(Sc2ccccc2)cc(Sc2ccccc2)c2cccnc12 MOL14324
-N#CC1=C(c2ccccc2)OC2(N)OC(c3ccccc3)=C(C#N)C12C#N MOL14325
-COc1cc(OC)c(C(=O)c2cccs2)cc1N MOL14326
-CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C MOL14327
-Cc1nn(-c2ccccc2)c2nc(N3CCOCC3)nnc12 MOL14328
-CCSc1nnc2c(-c3ccccc3)n[nH]c2n1 MOL14329
-Nc1nnc2c(-c3ccccc3)n[nH]c2n1 MOL14330
-Oc1nnc2c(-c3ccccc3)n[nH]c2n1 MOL14331
-CCC12CCC(C#N)N3CCc4c(n(c5ccccc45)C(=O)C1)C32 MOL14332
-CN1C(=O)C(C)(C)NS1(=O)=O MOL14333
-CN1N=CSC12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1 MOL14334
-O=c1c2ccccc2oc2nccnc12 MOL14335
-O=C1C=CC(=O)OCCCC(=O)C=CC(=O)OCCC1 MOL14336
-CCN(C1=CC(=O)NC2CCCCN12)c1ccccc1 MOL14337
-COc1ccc(OC)c2cc(C3(C)SCCCS3)ccc12 MOL14338
-CC1CCC(C(C)C)C(OC2OC(=O)CC2Sc2ccccc2)C1 MOL14339
-CN(C)c1ccc(C(C=C2c3ccccc3Sc3ccccc32)=C(C#N)C#N)cc1 MOL14340
-NCP(=O)(O)OCC(=O)O MOL14341
-C(CCC[Te][Te]CCCCCCOC1CCCCO1)CCOC1CCCCO1 MOL14342
-CN(C)C=CC(C=CN(C)C)=CC=[N+](C)C.[O-][Cl+3]([O-])([O-])O MOL14343
-Nn1c(=O)n(Cc2ccccc2)n(-c2ccccc2)c1=O MOL14344
-CNC(=O)NCCN1N=C(C)C(=Cc2ccccc2)CC1=O MOL14345
-C1CCCCc2nc3c(nc2CCC1)c1nc2c(nc1c1nc4c(nc31)CCCCCCCC4)CCCCCCCC2 MOL14346
-COc1ccc2c(c1Oc1ccccc1)C13CCN(C)C(C2)C12C=CC(CC2C(C)(C)O)C3 MOL14347
-O=c1ccccc2c(C=Cc3ccccc3)nn(-c3ccccc3)c12 MOL14348
-CCCCCCCCc1cc2c(O)c(c1)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)Cc1cc(CCCCCCCC)cc(c1O)C2 MOL14349
-O=C(O)C1C(c2ccccc2)C=CC(c2ccccc2)C1C(=O)O MOL14350
-CC(C)C1=CC2=CC=C3C(C)(C)CC(=O)OC3(C)CC2=C(O)C1=O MOL14351
-CC(=O)OC1=C2CC3(C)OC(=O)CC(C)(C)C3=CC=C2C=C(C(C)C)C1=O MOL14352
-CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)CC1(C)OC(=O)CC(C)(C)C1=CC2 MOL14353
-CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)CC1(C)OC(=O)CC(C)(C)C1(OC(C)=O)C=C2 MOL14354
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)C3c3ccoc3)C12C MOL14355
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C MOL14356
-CCCCCCC(O)CCCC(O)C1CCC(C2CCC(C(O)CCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1 MOL14357
-C=C(C)C1CC=C(C)C(O)(C2(O)CC(C(=C)C)CC=C2C)C1 MOL14358
-C=C(C)C1CC=C(C)C(O)(C2(O)CC(C(=C)C)CC=C2C)C1 MOL14359
-CCC(C)N(CCN)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1.Cl MOL14360
-CCC(C)N(CCN)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1.Cl MOL14361
-CC1=CCCC2(C)C(CCC2C(C)C=CC(C)C)c2ccc(cc2C(=O)O)CC(O)CC1 MOL14362
-CC(=O)OC1CCC(C)=CCCC2(C)C(CCC2C(C)C=CC(C)C)c2ccc(cc2C(=O)O)C1 MOL14363
-N#CC(NCCc1ccccc1)c1ccccc1 MOL14364
-N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL14365
-COc1ccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)cc1OC MOL14366
-N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCO2 MOL14367
-COc1ccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)cc1 MOL14368
-COc1cccc(C(C#N)NC23CC4CC(CC(C4)C2)C3)c1 MOL14369
-O=c1nc(-c2ccccc2)c2c3c(cccn13)CCC2 MOL14370
-Nc1nc(Cl)cc(NCCCCCNc2cc(Cl)nc(N)n2)n1 MOL14371
-Nc1nc(Cl)cc(NCCCCCCNc2cc(Cl)nc(N)n2)n1 MOL14372
-Nc1nc(Cl)cc(NCCCCCCCCNc2cc(Cl)nc(N)n2)n1 MOL14373
-Nc1nc(Cl)cc(NCCCCCCCCCCNc2cc(Cl)nc(N)n2)n1 MOL14374
-CCn1c2ccccc2c2c3c(cc(C)cc31)c1ccccc1[n+]2CC.[I-] MOL14375
-O=C1CCCC1=Cc1ccccc1 MOL14376
-Cc1ccc(C(=O)ON=C2CCCCC2=Cc2ccccc2)cc1 MOL14377
-O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccc(Cl)cc1 MOL14378
-O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccc(Cl)c(Cl)c1 MOL14379
-ON=C1CCCC1=Cc1ccccc1 MOL14380
-Cc1ccc(S(=O)(=O)ON=C2CCCC2=Cc2ccccc2)cc1 MOL14381
-COc1ccc(C(=O)ON=C2CCCCC2=Cc2ccccc2)cc1 MOL14382
-O=C1CCCCC1=Cc1ccc(Cl)c(Cl)c1 MOL14383
-Cc1ccc(C=C2CCCCC2=O)cc1 MOL14384
-COc1ccc(C=C2CCCCC2=O)cc1 MOL14385
-Cc1ccc(C=C2CCCCC2=NO)cc1 MOL14386
-ON=C1CCCCC1=Cc1ccc(Cl)c(Cl)c1 MOL14387
-C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1=NO.[I-] MOL14388
-O=C(ON=C1CCCCC1=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL14389
-C(=C1CCCCC([n+]2ccccc2)=N1)c1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1 MOL14390
-CN(C)CC1CCCCC1=NOC(=O)c1ccccc1.Cl MOL14391
-C[N+](C)(C)CC1CCCC(C[N+](C)(C)C)C1O.[I-] MOL14392
-O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc(Cl)c(Cl)c1 MOL14393
-O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc(Cl)cc1 MOL14394
-O=C1CCCCC(=Cc2ccccc2)N1 MOL14395
-CN(C)CC1CCCCC1=NOC(=O)c1ccc(Cl)cc1.Cl MOL14396
-CN(C)CC1CCCCC1=NO MOL14397
-O=C1C(=Cc2ccccc2)CCC1=Cc1ccccc1 MOL14398
-O=C(ON=C1CCCC1=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL14399
-O=C(ON=C1CCCC1=Cc1ccccc1)c1ccccc1 MOL14400
-Cc1ccc(C(=O)ON=C2CCCC2=Cc2ccccc2)cc1 MOL14401
-NC(=O)NN=C1CCCCC1=Cc1ccccc1 MOL14402
-CN(C)CC1CCCCC1=NOC(=O)c1ccc(Cl)c(Cl)c1.Cl MOL14403
-COc1ccc(C(=O)ON=C2CCCC2=Cc2ccccc2)cc1 MOL14404
-Cc1ccc(C(=O)ON=C2CCCCC2CN(C)C)cc1.Cl MOL14405
-COc1ccc(C(=O)ON=C2CCCCC2CN(C)C)cc1.Cl MOL14406
-CN=C1SC(=Nc2ccc(N(C)C)cc2)N1C MOL14407
-CN1C(=Nc2ccccc2)SC1=Nc1ccccc1 MOL14408
-COc1ccc2[nH]c3c(O)nncc3c2c1 MOL14409
-Cn1ncc2c(Nc3ccc(Cl)cc3)c3ccccc3nc21 MOL14410
-O=C1CCC(c2ccccc2)=NN1c1nc2ccccc2s1 MOL14411
-COC(CC1(OC)OC(=O)C=C1N)OC MOL14412
-CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21 MOL14413
-CC=CC(=O)C(C)C1=CC(=O)C2=C(OC34CCC(O)C(C)(C)C3CCC(C)C4(C)C2)C1=O MOL14414
-C=C1CCC2(C)C(C)CCC(O)C2(CCC=C(C)C)C1Cc1c[nH]c2ccccc12 MOL14415
-C=CC(C)(C)c1cccc2[nH]c3c(c12)CC1CCC2(O)C4=CC(=O)C5OC4(CCC2(C)C31C)OC5(C)C MOL14416
-CC(CO)C1=C(c2c[nH]c3ccccc23)C2C(C)CC(O)C3(C)C(C)CCC(O)C23CC1 MOL14417
-COc1ccc2nc3ccccc3c(NCCCN(CCCl)CCCl)c2c1.Cl MOL14418
-OCC1C(OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1Cc1ccccc1 MOL14419
-CCCC(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21 MOL14420
-CCCC(=O)OCC1OC2OC(C)(C)OC2C2OC(C)(C)OC12 MOL14421
-O=C1CNCCNCC(=O)Nc2ccccc2-c2ccccc2N1 MOL14422
-O=C1CCC(=O)Nc2ccccc2-c2ccccc2N1 MOL14423
-O=C1CCCCC(=O)Nc2ccccc2-c2ccccc2N1 MOL14424
-CCN1C(=O)CCCCC(=O)Nc2ccccc2-c2ccccc21 MOL14425
-CN(C)CCCN1C(=O)CCC(=O)Nc2ccccc2-c2ccccc21 MOL14426
-CC(=O)Nc1ccccc1-c1ccccc1NC(C)=O MOL14427
-O=C1CCCCCCCCCC(=O)Nc2ccccc2-c2ccccc2N1 MOL14428
-O=C(CCl)Nc1ccccc1-c1ccccc1NC(=O)CCl MOL14429
-O=C(CBr)Nc1ccccc1-c1ccccc1NC(=O)CBr MOL14430
-O=c1c2ccccc2[nH]c2ccc3c(Cl)n[nH]c3c12 MOL14431
-Cn1ncc2ccc3[nH]c4ccccc4c(=O)c3c21 MOL14432
-COc1cccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4c(OC)cccc34)c3ccccc3nc12 MOL14433
-CCN(CC)CSc1nc2ccccc2o1 MOL14434
-CCN(CC)CSc1nc2ccccc2[nH]1.Cl MOL14435
-CCN(CC)CSc1nc2ccccc2s1 MOL14436
-CCN(CC)CCSc1nc2cccc([N+](=O)[O-])c2[nH]1 MOL14437
-CCSc1nc2cccc([N+](=O)[O-])c2n1CC MOL14438
-C=C1c2[nH]c3ccccc3c2CC(C(=O)O)N1C(O)c1ccc(S(=O)(=O)O)cc1 MOL14439
-Clc1ccccc1C(n1ncc2ccccc21)n1ncc2ccccc21 MOL14440
-Clc1ccccc1C(n1cc(Br)cn1)n1cc(Br)cn1 MOL14441
-O=C1C2=C(NC(c3ccccc3)C(c3ccccc3)N2)C(=O)c2ccccc21 MOL14442
-O=C1c2ccccc2C(=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc21 MOL14443
-COC1=NN2C(OC)(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3C2(c2ccccc2)S1 MOL14444
-O=C(O)C(SC(=S)c1ccc(C(=S)SC(C(=O)O)c2ccccc2)cc1)c1ccccc1 MOL14445
-CN1C(=O)CNS1(=O)=O MOL14446
-CC1NS(=O)(=O)N(C)C1=O MOL14447
-C#CCC(N)(CO)C(=O)O MOL14448
-CCC1(c2c(F)c(F)c(N)c(F)c2F)CCC(=O)NC1=O MOL14449
-COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(CC(C)O)c(c(c1CC(C)O)c23)c54 MOL14450
-Cc1cc(O)c2c(c1)C(C13Cc4cc(O)c5c(c4C1C=CC(O)C3O)C(=O)c1cccc(O)c1C5=O)OC2=O MOL14451
-CN1CCc2cc(O)c3cc2C1Cc1ccc(cc1)Oc1cc(ccc1O)CC1c2c(cc4c(c2O3)OCO4)CCN1C MOL14452
-CN1CCc2cc(O)c3cc2C1Cc1ccc(cc1)Oc1cc(ccc1OC(=O)C(C)(C)C)CC1c2c(cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2O3)CCN1C MOL14453
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(c(OC)cc3CCN1C)Oc1c3c(cc4c1C(C2)N(C)CC4)OCO3 MOL14454
-CN1CCc2cc3c4cc2C1Cc1ccc(cc1)Oc1cc(ccc1O)CC1c2c(cc(O)c(c2O4)O3)CCN1C MOL14455
-COc1ccc2cc1Oc1ccc(cc1)CC1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)C(C2)N(C)CC3 MOL14456
-CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O MOL14457
-CC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O MOL14458
-CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O MOL14459
-C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccccc1 MOL14460
-C=CC(C1=CC(=O)C(OC)=CC1=O)c1ccc(OC)cc1 MOL14461
-COc1ccc2c(c1OC)C(=O)c1cc(C(C)O)oc1C2=O MOL14462
-COc1ccc2c(c1OC)C(=O)c1ccoc1C2=O MOL14463
-C=C(C)C1CC2=C(O1)C(=O)c1ccccc1C2=O MOL14464
-CC(C)C=CC1=C(O)C(=O)c2ccccc2C1=O MOL14465
-CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O MOL14466
-Cc1cc2c(=O)cc(-c3ccc(O)cc3)oc2c(C(=O)O)c1C MOL14467
-Cc1cc2c(=O)cc(-c3ccc(C(=O)O)cc3)oc2c(C(=O)O)c1C MOL14468
-Cc1ccccc1-c1cc(=O)c2cc(C)c(C)c(C(=O)O)c2o1 MOL14469
-Cc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1 MOL14470
-Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1C MOL14471
-COc1cc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc(OC)c1OC MOL14472
-Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)cc1 MOL14473
-O=C(O)c1c2c(cc3c(=O)cc(-c4ccccc4)oc13)CCCC2 MOL14474
-COc1ccccc1-c1cc(=O)c2cc(C)c(C)c(C(=O)O)c2o1 MOL14475
-COc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)O)c3o2)c1 MOL14476
-Cc1cc2c(=O)cc(-c3cccs3)oc2c(C(=O)O)c1C MOL14477
-Cc1cc2c(=O)cc(-c3ccc(C(=O)O)cc3)oc2c(C(N)=O)c1C MOL14478
-Cc1cc2c(C=O)n[nH]c2c(C#N)c1C MOL14479
-Cc1cc2c(C)nn(Cc3ccccc3)c2c(C(N)=O)c1C MOL14480
-NC(=O)c1c2c(cc3c(=O)c4ccccc4[nH]c13)CCCC2 MOL14481
-Cc1cc2c(c(C(N)=O)c1C)-c1cccc(F)c1C2=O MOL14482
-Cc1cc2c(c(C(N)=O)c1C)-c1cccc(Cl)c1C2=O MOL14483
-Cc1cc2c(=O)c3ccc(Cl)cc3[nH]c2c(C(N)=O)c1C MOL14484
-NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cc2c(=O)c3ccccc3[nH]c12 MOL14485
-CC(=O)CCC1(c2ccccc2)OC(=O)C(C#N)=C1c1ccccc1 MOL14486
-CCOC(=O)c1cnc(NC)n2nc(-c3ccccc3)nc12 MOL14487
-O=C(C=C(Cl)c1cnc(O)nc1O)c1ccccc1 MOL14488
-COC(=O)c1c(CC(=O)O)oc2c1CCCC2 MOL14489
-OC(c1ccccn1)C1CNc2ccccc21 MOL14490
-COc1ccc2nc(O)cc(C)c2c1[N+](=O)[O-] MOL14491
-COc1cc(N=Nc2ccccc2)c2nccc(C)c2c1N MOL14492
-COC(=O)Cc1cc(=O)oc2c1C(=O)CCC2 MOL14493
-CCc1c(C)[nH]c2c1C(=NN=C1CCCc3[nH]c(C)c(CC)c31)CCC2 MOL14494
-c1cc2c(s1)CCCC2=NN=C1CCCc2sccc21 MOL14495
-CC(=O)N1CC2Nc3ccccc3C2CC1CO MOL14496
-CC(C)OC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1 MOL14497
-COC(=O)C1(C(=O)OC)CC2c3c(c4ccccc4n3C)CC(C1=O)N2Cc1ccccc1 MOL14498
-Cl.c1ccc(CNc2ccc3[nH]c4cnccc4c3c2)cc1 MOL14499
-Cl.OCc1cc2c(cn1)[nH]c1ccc(NCc3ccccc3)cc12 MOL14500
-O=C(NCCO)c1cc2c(cn1)[nH]c1ccccc12 MOL14501
-COC(=O)C12CCC(=O)N1CC(=O)c1c2[nH]c2ccccc12 MOL14502
-c1ccc2c(c1)[nH]c1cnc3c4ncccc4[nH]c3c12 MOL14503
-Cn1c2ccccc2c2ncc3[nH]c4ccccc4c3c21 MOL14504
-O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NC1C(O)OC(CO)C(O)C1O MOL14505
-CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)NCCCCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)C1O MOL14506
-Cc1cc(Br)ccc1N=Nc1c(C)nn(-c2ccccc2)c1-c1ccccc1 MOL14507
-Cc1cc(Br)ccc1N=Nc1c(C)noc1-c1ccccc1 MOL14508
-Cc1ccc(N=Nc2c(C)nn(-c3ccccc3)c2C)c(Br)c1 MOL14509
-Cc1ccc(N=Nc2c(C)nn(-c3ccccc3)c2-c2ccccc2)c(Br)c1 MOL14510
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(Br)cc1C MOL14511
-Cc1cc(Br)ccc1N=NC1C(=O)ON=C1c1ccccc1 MOL14512
-CC1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(Br)c(C)c1 MOL14513
-CC1=NOC(=O)C1N=Nc1ccc(Br)c(C)c1 MOL14514
-COc1ccc(N=c2ssc3c(=S)ssc23)cc1 MOL14515
-CC1=C(SC#N)S(=O)(=O)N(c2ccccc2)C(C)=C1SC#N MOL14516
-COc1ccc2c(c1)OC1c3ccc(OC)cc3OCC21 MOL14517
-O=C(NCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O)NC1C(O)OC(CO)C(O)C1O MOL14518
-CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)NCCCCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)C1O MOL14519
-CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)NCCCCCCNC(=O)n2cc(F)c(=O)[nH]c2=O)C1O MOL14520
-COC(=O)C1Cc2c(n(C)c3ccccc23)C(CCC(=O)O)N1Cc1ccccc1 MOL14521
-CCOP(=O)(OCC)C1CC(C)OC1=O MOL14522
-CCOP(=O)(OCC)C1CCCOC1=O MOL14523
-CCOP(=O)(OCC)C1CCCCOC1=O MOL14524
-CCOP(=O)(OCC)C1C(=O)OC2CCCCC21 MOL14525
-CCOP(=O)(OCC)C1C(=O)OC2(C)CCC1C2(C)C MOL14526
-c1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)cc1 MOL14527
-Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)c(Cl)c1 MOL14528
-Clc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 MOL14529
-CN(N=Cc1ccnc2ccccc12)c1ccccc1 MOL14530
-CN(N=Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1 MOL14531
-CN(N=Cc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1 MOL14532
-CN(N=Cc1cccc2cccnc12)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] MOL14533
-CCOc1ccc(N=Cc2ccc3ccccc3n2)cc1 MOL14534
-CCOc1ccc(N=Cc2ccnc3ccccc23)cc1 MOL14535
-CCOc1ccc(N=Cc2cccc3cccnc23)cc1 MOL14536
-N#Cc1sc2nc3c(c(-c4ccccc4)c2c1N)CCCC3 MOL14537
-CC12CCC3c4ccc(OS(=O)(=O)O)cc4CCC3C1CCC2O.[NaH] MOL14538
-Br.CC(CN(C)C)C(=NNc1ccccc1)c1ccccc1 MOL14539
-CN(C)CC(C)(C)C(=NNc1ccccc1)c1ccccc1.Cl MOL14540
-CN(C)CCC(C=Cc1ccccc1)=NNc1ccccc1.Cl MOL14541
-CN(C)CCC(=O)c1ccccc1.Cl MOL14542
-CN(C)CCC(=NNc1ccc(Cl)cc1)c1ccccc1.Cl MOL14543
-CN(C)CCC(=NNc1ccc(Cl)c(Cl)c1)c1ccccc1.Cl MOL14544
-CN(C)CCC(=NNc1ccc(Cl)cc1Cl)c1ccccc1.Cl MOL14545
-CN(C)CCC(=NNc1c(Cl)cccc1Cl)c1ccccc1.Cl MOL14546
-COc1ccc(NN=C(CCN(C)C)c2ccccc2)cc1.Cl MOL14547
-CN(C)CCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccccc1.Cl MOL14548
-CN(C)CCC(=NNc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.Cl MOL14549
-CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)c(Cl)c1.Cl MOL14550
-CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)cc1Cl.Cl MOL14551
-CN(C)CCC(C=Cc1ccccc1)=NNc1c(F)c(F)c(F)c(F)c1F.Cl MOL14552
-CN(C)CC(C)(C)C(C=Cc1ccccc1)=NNc1ccccc1.Cl MOL14553
-CC1=CCC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C MOL14554
-CC1=C(Br)CC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C.CC1=CCC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C.CC1=CCC23C(C1)OC(Br)(C=CC2(C)O)C3(C)C MOL14555
-C=C1C=CC2(Br)OC3CC(C)(Cl)C(Br)CC13C2(C)C MOL14556
-O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1 MOL14557
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 MOL14558
-O=[N+]([O-])c1ccc(C2=Nn3cnnc3SC2)o1 MOL14559
-O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)o1 MOL14560
-O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)o1 MOL14561
-O=S(=O)(O)OCC1OC2OC3C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC6C(COS(=O)(=O)O)OC(OC7C(COS(=O)(=O)O)OC(OC8C(COS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O.[NaH] MOL14562
-CCCCCCC=CCCCCCCCCCc1c(O)c(OC)cc(O)c1CN(C)C.Cl MOL14563
-O=C(Nc1ccccc1)c1cc2cc(N=Nc3ccc(Br)cc3)ccc2oc1=O MOL14564
-Cc1cccc(NC(=O)c2cc3cc(N=Nc4ccc(Br)cc4)ccc3oc2=O)c1 MOL14565
-O=C(Nc1ccccc1Cl)c1cc2cc(N=Nc3ccc(Br)cc3)ccc2oc1=O MOL14566
-O=C(Nc1ccc(Cl)cc1)c1cc2cc(N=Nc3ccc(Br)cc3)ccc2oc1=O MOL14567
-COc1ccc(NC(=O)c2cc3cc(N=Nc4ccc(Br)cc4)ccc3oc2=O)cc1 MOL14568
-c1cc2c(cnc3cscc32)s1 MOL14569
-c1cc2c(ncc3cscc32)s1 MOL14570
-c1nc2cscc2c2cscc12 MOL14571
-COC(=O)C1C(=O)NC2(C)CC1c1ccccc1O2 MOL14572
-Cc1nn(C(=O)CC(=O)Nc2ccccc2)c(C)c1N=Nc1ccccc1F MOL14573
-Cc1nn(C(=O)CC(=O)Nc2ccc(Cl)cc2)c(C)c1N=Nc1ccccc1F MOL14574
-Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1N=Nc1ccccc1F MOL14575
-COc1cccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3F)c2C)c1 MOL14576
-COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2F)c1C MOL14577
-Cc1nn(C(=O)CC(=O)Nc2ccccc2Cl)c(C)c1N=Nc1ccccc1Cl MOL14578
-Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3Cl)c2C)cc1 MOL14579
-COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2Cl)c1C MOL14580
-O=[N+]([O-])c1ccccc1S(=O)c1ccccc1 MOL14581
-Cc1ccc(S(=O)c2ccccc2[N+](=O)[O-])cc1 MOL14582
-C#CC(O)C=CCCCCCCCCCC=CCCCCCCCCCC=CC(O)C#C MOL14583
-O=C(C(=O)C(=O)C(=O)C1C(=O)c2ccccc2C1=O)C(=O)C(=O)C1C(=O)c2ccccc2C1=O MOL14584
-CN1CC(C(=O)C2C(=O)c3ccccc3C2=O)C(=O)C(=O)C(C(=O)C2C(=O)c3ccccc3C2=O)C1.Cl MOL14585
-CC(N[N+](=O)[O-])C(N)=O MOL14586
-CC(C)C(=O)NC(C)C(=O)N(Cc1ccc2ccccc2c1)N=O MOL14587
-CC(C(=O)O)C(=O)NC(=O)N(Cc1ccccc1)N=O MOL14588
-O=S(c1ccccc1)c1ccccc1 MOL14589
-O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cccc1O MOL14590
-CCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(=O)NCC(N)=O.[NaH] MOL14591
-C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OC(CO)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C12 MOL14592
-Cl.OCC1NC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O MOL14593
-O=[N+]([O-])C1C2C=CC(C2)C1c1ccccc1Cl MOL14594
-O=[N+]([O-])C1C2C=CC(C2)C1c1ccc(Cl)cc1Cl MOL14595
-COc1ccc(C2=CC3CCC2C3)cc1 MOL14596
-O=[N+]([O-])C1C2C=CC(C2)C1c1ccco1 MOL14597
-O=C1C2C(C(=O)N1c1ccccc1)C1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)C32C2C(=O)N(c3ccccc3)C(=O)C21 MOL14598
-O=C1c2ccc3c4ccccc4n(-c4ccccc4)c3c2C(=O)N1c1ccc(Cl)cc1 MOL14599
-COC1C2C=CC(C2)C1[N+](=O)[O-] MOL14600
-Cc1ccc(NC(=O)CCC(=O)C2Cc3ccccc3C2=O)cc1C MOL14601
-COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nc(S)n2)cc1 MOL14602
-N#CC(N)(C(=O)C(=O)NCCCNC(=O)C(=O)C(N)(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL14603
-CCCCC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)C(=O)C(C)C MOL14604
-Cc1ccccc1-c1c(N)nc(N)nc1C(=O)Nc1nccs1 MOL14605
-COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nc(N)n2)c1 MOL14606
-Cc1ccc(C)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)c1 MOL14607
-Nc1nc(S)nc(C(=O)Nc2nccs2)c1-c1ccccc1 MOL14608
-CCCCC(C(=O)C(=O)NC1C2CC3CC(C2)CC1C3)C(=O)C(C)C MOL14609
-CC1=C(c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc(N)n2)Sc2ccccc2N1 MOL14610
-CC1=C(c2cc(C(=O)Nc3ccc(Cl)cc3)nc(S)n2)Sc2ccccc2N1 MOL14611
-N=C1NN(c2ccccc2)C(=O)C1C(=O)CCC(=O)Nc1cccc(Cl)c1 MOL14612
-CC(C)=Cc1cc(C(=O)NCCNC(=O)c2cc(C=C(C)C)nc(NC#N)n2)nc(NC#N)n1 MOL14613
-Nc1nc(S)nc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 MOL14614
-O=C1CCC(=O)C(C(=O)CCC(=O)Nc2cccc(Cl)c2)C1 MOL14615
-Cc1cccc(C)c1NC(=O)CCC(=O)NC(N)=S MOL14616
-Cc1cccc(C)c1NC(=O)CCC(=O)NC(=N)NC#N MOL14617
-CC(C)CC1=[N+]=C(NC#N)N=C(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 MOL14618
-CC(C)CC(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=NNC(=O)c1cc2ccccc2cc1O MOL14619
-Cc1cccc(C)c1NC(=O)CCC(=O)NNC(=O)c1cc(O)c2ccccc2c1 MOL14620
-NC(=O)C(=O)NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1C(=O)Nc1ccc(Cl)cc1Cl MOL14621
-COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)=NNc2nnc(C)n2N)ccc1O MOL14622
-Cc1cccc(C)c1NC(=O)CCC(=O)NNc1nnc(C)n1N MOL14623
-C=CCN=C1N=C(C)C(C(=O)OCC)S1 MOL14624
-NC(=S)NN=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)c1ccco1 MOL14625
-COc1ccc(OC)c(NC(=O)CCCC(CC(=O)c2ccc(O)c(OC)c2)=NNc2ccc([N+](=O)[O-])cc2)c1 MOL14626
-COC(=O)c1cccc2cccc(C(=O)Nc3ccc(Cl)cc3)c12 MOL14627
-COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)=NNC(=O)C(=O)NN)ccc1O MOL14628
-C(=Cc1cc(CCc2nc3ccccc3[nH]2)n[nH]1)c1ccccc1 MOL14629
-N#CC(C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1 MOL14630
-COC(=O)c1cccc2cccc(C(=O)Nc3ccc(C)cc3C)c12 MOL14631
-O=C(CCc1cc(-c2ccco2)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1)Nc1ccccc1 MOL14632
-COc1ccc(OC)c(NC(=O)CCCC(CC(=O)c2ccc(O)c(OC)c2)=NNC(=O)C[N+](C)(C)C)c1.[Cl-] MOL14633
-CCOC(=O)C1SC(=Nc2ccc(C)c(C)c2)N=C1C MOL14634
-COc1ccc(OC)c(NC(=O)CCCC(CC(=O)c2ccc(O)c(OC)c2)=NNc2nnc(C)n2N)c1 MOL14635
-O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL14636
-COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)=NNC(=O)C(N)=O)ccc1O MOL14637
-CCCNC(=O)c1cc2ccccc2cc1C(=O)OC MOL14638
-O=[W](=O)(O)O.[NaH] MOL14639
-CC(CC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)=NNC(=O)NN MOL14640
-N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)cc1 MOL14641
-N#CC(C(=O)CCC(=O)Nc1ccc(Cl)cc1)c1ccccc1Cl MOL14642
-N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL14643
-CCCN(CCC)C(=O)c1nc(N)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1 MOL14644
-Cc1cc(Cl)ccc1NC(=O)CCCC(=O)C1CCCC1=NNC(=O)CC#N MOL14645
-Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] MOL14646
-Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-] MOL14647
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1ccccc1C)c(C)[n+]2[O-] MOL14648
-COC(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL14649
-COC(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 MOL14650
-CCOc1ccccc1NC(=O)CC(C(=O)OC)C(=O)C(=O)OC MOL14651
-Cc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1 MOL14652
-COc1cc2c(cc1C)[n+](=O)[c-](C)[c-](C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(Cl)c1C)[n+]2=O.[Cl-] MOL14653
-Cc1c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-].[Cl-] MOL14654
-COC(=O)C(=O)C(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)OC MOL14655
-Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+]([O-])c2ccccc2[n+]1[O-] MOL14656
-O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2o1 MOL14657
-Cc1c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-] MOL14658
-Cc1c(C(=O)CC(=O)C(=O)Nc2cc(Cl)ccc2Cl)[n+]([O-])c2ccccc2[n+]1[O-] MOL14659
-COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cc(Cl)ccc1Cl)c(C)[n+]2[O-].[Cl-] MOL14660
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-] MOL14661
-CCOc1ccc(NC(=O)C(=O)CC(=O)c2c[n+]([O-])c3cc(C)c(C)cc3[n+]2[O-])cc1 MOL14662
-Cc1c(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)[n+]([O-])c2ccccc2[n+]1[O-] MOL14663
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C)c(C)[n+]2[O-] MOL14664
-CCOc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1 MOL14665
-N#CC1(c2nc3ccccc3o2)C(=O)C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C1=O MOL14666
-CCOc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] MOL14667
-Cc1ccc(NC(=O)C(=O)CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1C MOL14668
-CC(=NNS(=O)(=O)c1ccc(C)cc1)C1=C(C)Nc2ccccc2S1 MOL14669
-COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C)c(C)[n+]2[O-] MOL14670
-Cc1c(C(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[n+]([O-])c2ccccc2[n+]1[O-] MOL14671
-Cc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] MOL14672
-Cc1cc(Cl)ccc1NC(=O)CCC(CC(=O)C(C)C)=NNC(=O)C[n+]1ccccc1.[Cl-] MOL14673
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C[n+]2ccccc2)cc1C.[Cl-] MOL14674
-CCC(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=NNC(=O)C[n+]1ccccc1.[Cl-] MOL14675
-Cc1ccc(C)c(NC(=O)CCC(=NNC(=O)c2c(O)ccc3ccccc23)C(C)C(=O)c2ccc(O)cc2)c1 MOL14676
-COC(=O)CCC(=O)C(CC(=O)OC)C(=O)CCC(=O)NCCc1ccccc1 MOL14677
-CCCCCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNC(N)=O MOL14678
-COc1ccc(NC(=O)CCC(CC(=O)c2ccco2)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 MOL14679
-COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(N)=O)ccc1O MOL14680
-O=C(CCc1cc(-c2ccccc2)nc(S)n1)Nc1ccccc1[N+](=O)[O-] MOL14681
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNc2nnc(C)n2N)cc1C MOL14682
-Cc1ccc(NC(=O)CCc2cc(C(C)(C)C)nc(S)n2)cc1C MOL14683
-NNC(=O)C(=O)NN=C(CCC(=O)Nc1ccc(Cl)cc1)Cc1nc2ccccc2s1 MOL14684
-O=C(Nc1nccs1)c1cc(C2=CC=CC([N+](=O)[O-])C=C2)nc(S)n1 MOL14685
-O=C(C[n+]1ccccc1)NN=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)CC(=O)c1ccccc1.[Cl-] MOL14686
-CCCC(=NNC(=O)C(N)=O)C(CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1 MOL14687
-O=C(CCc1cc(-c2ccc(F)cc2)n[nH]1)N(Cc1ccccc1)Cc1ccccc1 MOL14688
-COc1ccc(NC(=O)CCc2cc(C(C)(C)C)[nH]n2)cc1 MOL14689
-CCC(CC(=O)CCC(=O)Nc1c(C)cccc1C)=NNC(=O)NN MOL14690
-NNC(=S)NN=C(CCCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1 MOL14691
-COc1cc(C(=O)CC(CCCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)c2cc3ccccc3cc2O)ccc1O MOL14692
-O=C(CCc1ccccc1)On1nnc2ccccc2c1=O MOL14693
-COc1ccc2c(-c3cc4ccccc4o3)cc(=O)oc2c1 MOL14694
-O=C(C=Cc1ccc2c(c1)OCO2)N1CCCCC1 MOL14695
-CC1C(=O)CC2OC3CC(C)(Cl)C(Br)CC31C2(C)C MOL14696
-CC1(Br)CC2OC3(Br)C=CC(C)(O)C2(CC1=O)C3(C)C MOL14697
-O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC2C2C(C1)C2(Cl)Cl MOL14698
-c1ccc(C2OC3(CCCC4CC43)OC2c2ccccc2)cc1 MOL14699
-CC1(O)OC(=O)c2ccc3ccccc3c21 MOL14700
-Cc1ccc(C2OC(=O)c3c2ccc2ccccc32)cc1 MOL14701
-COc1cccc2c1C(c1cccc3ccccc13)OC2=O MOL14702
-CC1(c2cccc3ccc(F)cc23)OC(=O)c2ccccc21 MOL14703
-COc1ccc2c(C3(C)OC(=O)c4ccccc43)cccc2c1 MOL14704
-CC1(c2cccc3ccccc23)OC(=O)c2cccc(F)c21 MOL14705
-Cc1cccc2c1CCC21OC(=O)c2c1cc(F)c1ccccc21 MOL14706
-COc1cccc2c1C(c1ccc3ccccc3c1)OC2=O MOL14707
-COc1ccc2c(c1)C(c1ccc3ccccc3c1)OC2=O MOL14708
-O=C1OC(c2cccc3ccc(Br)cc23)c2ccccc21 MOL14709
-COc1ccc(OC)c2c3c(ccc12)C1(CCc2c(C)cccc21)OC3=O MOL14710
-COc1cccc2ccc3c(c12)C(O)OC31CCc2c(C)cccc21 MOL14711
-COc1cc(C2(C)OC(=O)c3ccccc32)c(OC)c2ccccc12 MOL14712
-COc1ccc(OC)c2c3c(ccc12)C(C)(c1ccccc1)OC3=O MOL14713
-OCC1OC2(CCCC3CC32)OC1CO MOL14714
-COC(=O)C1OC2(CCCC3CC32)OC1C(=O)OC MOL14715
-CC(C)(O)C1CCC23CCCC(=O)C2(C1)C3 MOL14716
-COCC1OC2(CCCC2O)OC1COC MOL14717
-COCC1OC2(CCCC2O)OC1COC MOL14718
-OC1C(Br)CC2(OC(COCc3ccccc3)C(COCc3ccccc3)O2)C1O MOL14719
-OC1C(Br)CC2(OC(COCc3ccccc3)C(COCc3ccccc3)O2)C1O MOL14720
-C=C(CCCO)C1CCC(C)(O)C1C MOL14721
-C=C(CCCO)C1CCC(C)(O)C1C MOL14722
-COc1cc2c(cc1OC)C(C(O)c1ccccc1)NCC2 MOL14723
-COc1cc2c(cc1OC)C1C(c3ccccc3)OCN1CC2 MOL14724
-COc1cc2c(cc1OC)C(C(O)c1ccccc1)NCC2 MOL14725
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(=O)NCCN(C)C)CCC4(C)C3CCC12C MOL14726
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])CCC4(C)C3CCC12C MOL14727
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(C(=O)NCC[N+](C)(C)CCCS(=O)(O)=[OH+])CCC4(C)C3CCC12C MOL14728
-CCC(=C(c1ccccc1)c1ccc(OCC[N+](C)(C)C)cc1)c1ccccc1.[I-] MOL14729
-CCCCCCC=CCCCCCCCCCC1=C(CN(C)C)C(=O)C=C(OC)C1=O.Cl MOL14730
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)C(=O)C4OC43C12C MOL14731
-CC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1 MOL14732
-O=C1C(=Cc2ccccc2)CN(C(=O)C(Cl)(Cl)Cl)CC1=Cc1ccccc1 MOL14733
-O=C1C(=Cc2ccccc2)CN(C(=O)C(F)(F)F)CC1=Cc1ccccc1 MOL14734
-CCOC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1 MOL14735
-O=C1C(=Cc2ccccc2)CN(C(=O)OCC(Cl)(Cl)Cl)CC1=Cc1ccccc1 MOL14736
-O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccccc2)CC1=Cc1ccccc1 MOL14737
-COc1ccc(OC(=O)N2CC(=Cc3ccccc3)C(=O)C(=Cc3ccccc3)C2)cc1 MOL14738
-Cc1ccc(OC(=O)N2CC(=Cc3ccccc3)C(=O)C(=Cc3ccccc3)C2)cc1 MOL14739
-O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccc(Cl)cc2)CC1=Cc1ccccc1 MOL14740
-O=C1C(=Cc2ccccc2)CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=Cc1ccccc1 MOL14741
-O=C1C(=Cc2ccccc2)CN(C(=O)OCc2ccccc2)CC1=Cc1ccccc1 MOL14742
-N[Co-4](N)(N)(N)(N)[OH+][N+](=O)[O-].[O-][Cl+3]([O-])([O-])O MOL14743
-N[Co-4](N)(N)(N)(N)[OH+]C(=O)C(=O)[O-].[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O MOL14744
-NC(=O)[OH+][Co-4](N)(N)(N)(N)N.[IH2+] MOL14745
-N[Co-4](N)(N)(N)(N)[NH+]=[N+]=[NH2+].[IH2+] MOL14746
-N#C[SH+][Co-4](N)(N)(N)(N)N.O=S([O-])(O)=[OH+] MOL14747
-CC(C)CC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O MOL14748
-CCCCC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O MOL14749
-CCCC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O MOL14750
-N[Co-4](N)(N)(N)(N)[OH+]C(=O)CCl.[O-][Cl+3]([O-])([O-])O MOL14751
-CC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])[OH2+] MOL14752
-CC(C)(C)C(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O MOL14753
-CCCCCCCC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O MOL14754
-CC=CC(=O)[OH+][Co-4](N)(N)(N)(N)N.[O-][Cl+3]([O-])([O-])O MOL14755
-N[Co-4](N)(N)(N)(N)N.[Br-] MOL14756
-CCCC(=O)[OH+][Co-4]12([OH+]C(=O)CCC)(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])[OH2+] MOL14757
-O=C(CCl)[OH+][Co-4]12([OH+]C(=O)CCl)(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])[OH2+] MOL14758
-O=C[OH+][Co-4]12([OH+]C=O)(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])O MOL14759
-[BrH+][Co-4]12([BrH+])(NCCN1)NCCN2.[O-][Cl+3]([O-])([O-])[OH2+] MOL14760
-N#C[S-].N#C[SH+][Co-4]12([SH+]C#N)(NCCN1)NCCN2 MOL14761
-[Cl-].[N-]=[N+]=[NH+][Co-4](N)(N)(N)(N)[NH+]=[N+]=[N-] MOL14762
-N[Co-4](N)([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].[Cs+] MOL14763
-N[Co-4](N)(N)([I-])([I-])[I-] MOL14764
-N[Co-4](N)(N)([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] MOL14765
-O=C1[OH+][Co-4]23(NCCN2)(NCCN3)[OH+]C1=O.[Cl-] MOL14766
-N[Co-4]1(N)(N)(N)[OH+]C(=O)[OH+]1.OC(O)=[OH+] MOL14767
-O=C1[OH+][Co-4]23(NCCN2)(NCCN3)[OH+]1.[O-]C(O)=[OH+] MOL14768
-N[Co-4]1(N)(N)(N)[OH+]C(=O)C(=O)[OH+]1.O=C(O)C(O)=[OH+] MOL14769
-CC(C)CC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CC(C)C.[O-][Cl+3]([O-])([O-])O.[O-][Cl+3]([O-])([O-])O MOL14770
-CC(C)CC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CC(C)C.[O-][Cl+3]([O-])([O-])O MOL14771
-CC(C)CC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CC(C)C.[O-][Cl+3]([O-])([O-])O MOL14772
-CCCC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CCC.[O-][Cl+3]([O-])([O-])O MOL14773
-CC(C)C(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)C(C)C.[O-][Cl+3]([O-])([O-])O MOL14774
-CC(C)C(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)C(C)C.[O-][Cl+3]([O-])([O-])O MOL14775
-N[Co-4](N)(N)(N)([OH+]C(=O)CCl)[OH+]C(=O)CCl.[O-][Cl+3]([O-])([O-])O MOL14776
-N[Co-4](N)(N)(N)([OH+]C(=O)C(Cl)Cl)[OH+]C(=O)C(Cl)Cl.[O-][Cl+3]([O-])([O-])O MOL14777
-CC(=O)[OH+][Co-4](N)(N)(N)(N)O.[O-][Cl+3]([O-])([O-])O MOL14778
-N[Co-4](N)(N)(N)([N+](=O)[O-])[N+](=O)[O-].[Cl-] MOL14779
-O=[N+]([O-])O.[N-]=[N+]=[NH+][Co-4](N)(N)(N)(N)[NH+]=[N+]=[N-] MOL14780
-[N-]=[N+]=[NH+][Co-4](N)(N)(N)(N)[OH+]S(O)=[OH+] MOL14781
-CCC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CC.[O-][Cl+3]([O-])([O-])O MOL14782
-CCCCCCCC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)CCCCCCC.[O-][Cl+3]([O-])([O-])O MOL14783
-CC=CC(=O)[OH+][Co-4](N)(N)(N)(N)[OH+]C(=O)C=CC.[O-][Cl+3]([O-])([O-])O MOL14784
-N[Co-4](N)(N)(N)(O)O.[O-][Cl+3]([O-])([O-])O MOL14785
-[N-]=[N+]=[N-].[N-]=[N+]=[NH+][Co-4](N)(N)(N)(N)[NH+]=[N+]=[N-] MOL14786
-CCOC(=O)NC(=O)c1cn(C(CC)COC(=O)NCCCCCCNC(=O)OCC(CC)n2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL14787
-CCOC(=O)NC(=O)c1cn(CCOC(=O)NCCCCCCNC(=O)OCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL14788
-CCOC(=O)NC(=O)c1cn(CCCCCOC(=O)NCCCCCCNC(=O)OCCCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL14789
-CCOC(=O)NC(=O)c1cn(CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCn2cc(C(=O)NC(=O)OCC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL14790
-CN1C(=O)C(O)(Cc2cccc(O)c2)N(C)C(=O)C1Cc1c[nH]c2cccc([N+](=O)[O-])c12 MOL14791
-CC[S+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S+](C)CC)cc3)c3ccc2[nH]3)cc1.[O-][Cl+3]([O-])([O-])O MOL14792
-CC1C(=O)C2CC3(C)COC2(C3O)C2(C)CCC12 MOL14793
-CC1=C2CCC2(C)C23OCC(C)(CC2C1=O)C3O MOL14794
-COC(=O)C12C=CC(=O)C3CC(C(C(C)C)C1)C32OC MOL14795
-COC(=O)C12CC(C(C)C)C3CC(C(=O)C=C1OC)C32 MOL14796
-CCC(C)SC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C MOL14797
-CSC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C MOL14798
-CC(C)SC1SCC2C(=O)N(C)C3(CC3C)C(=O)OCC(NC(=O)c3nc4ccccc4cc3O)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C1(CC1C)C(=O)OCC(NC(=O)c1nc3ccccc3cc1O)C(=O)NC(C)C(=O)N2C MOL14799
-CN(N=Cc1ccnc2ccccc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL14800
-CN(N=Cc1ccnc2ccccc12)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] MOL14801
-CN(N=Cc1cccc2cccnc12)c1ccccc1 MOL14802
-CN(N=Cc1cccc2cccnc12)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL14803
-CCOc1ccc(N=Cc2ccc3cc(C)ccc3n2)cc1 MOL14804
-CCOc1ccc(N=Cc2c3ccccc3nc3ccccc23)cc1 MOL14805
-O=[N+]([O-])C12C3C4C1C1CC4C4([N+](=O)[O-])C3CC2C14[N+](=O)[O-] MOL14806
-O=Cc1ccc(-c2cccs2)s1 MOL14807
-OCC1CCCC1O MOL14808
-OCC1CCCC1O MOL14809
-COP1OCC2CCCC2O1 MOL14810
-COP1(=S)OCC2CCCC2O1 MOL14811
-CN(C)P1(=O)OCC2CCCC2O1 MOL14812
-CN(C)P1(=O)OCC2CCCC2O1 MOL14813
-CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc12 MOL14814
-CN(C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccccc3nc12 MOL14815
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)n1 MOL14816
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)no1 MOL14817
-CN(C)CCNC(=O)c1cccc2c(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc3nc12 MOL14818
-CN(C)CCNC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccccc3nc12 MOL14819
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)n1 MOL14820
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)no1 MOL14821
-NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14822
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14823
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1 MOL14824
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)no1 MOL14825
-NS(=O)(=O)c1ccc(NC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1 MOL14826
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1 MOL14827
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccn4c(=O)c5ccccc5nc34)cc2)n1 MOL14828
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccn4c(=O)c5ccccc5nc34)cc2)no1 MOL14829
-O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccccc1 MOL14830
-Cc1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14831
-COc1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14832
-O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(Cl)cc1 MOL14833
-CC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14834
-O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(C(=O)O)cc1 MOL14835
-NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14836
-N=CNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14837
-O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 MOL14838
-CC(=O)NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL14839
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1 MOL14840
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)no1 MOL14841
-O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 MOL14842
-O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Cl)cc12 MOL14843
-O=C(Nc1nc2ccccc2[nH]1)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL14844
-Cn1c(=O)c2c(ncn2CC(=O)NC23CC4CC(CC(C4)C2)C3)n(C)c1=O MOL14845
-O=c1cc[nH]c2ccc3nn[nH]c3c12 MOL14846
-CCOP(=O)(CC=CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC MOL14847
-CCCCCCC=CCCCCCCCCCC1=C(CN2CCN(C)CC2)C(=O)C=C(OC)C1=O.Cl MOL14848
-Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C3(SC=NN3C)C2=O)cc1 MOL14849
-CN1N=CSC12C(=O)N(c1ccc(Cl)cc1)C(=O)N2c1ccc(Cl)cc1 MOL14850
-CCN1N=CSC12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1 MOL14851
-O=C1N(c2ccccc2)C(=O)C2(SC=NN2Cc2ccccc2)N1c1ccccc1 MOL14852
-O=C1N(c2ccc(Cl)cc2)C(=O)C2(SC=NN2Cc2ccccc2)N1c1ccc(Cl)cc1 MOL14853
-COc1ccc2c3c1OC1(C)C4(OC)C=CC5(CC4C(C)(C)O)C(C2)N(C)CCC351 MOL14854
-CCC(=O)c1c(NOC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O MOL14855
-CCC(=O)c1c(NOC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O MOL14856
-CCCC(=O)c1c(NOC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O MOL14857
-CCCC(=O)c1c(NOC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(OC)n(C)c1=O MOL14858
-COc1nc2c(c(O)c(C)c(=O)n2OC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C MOL14859
-COc1nc2c(c(O)c(C)c(=O)n2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C MOL14860
-COc1cc(N=Nc2ccccc2C(=O)O)cc(C=NNNC(N)=S)c1O MOL14861
-COc1cc(N=Nc2ccccc2)cc2c1[OH+][Mo-](=O)(=O)([Mo-]1(=O)(=O)[OH+]c3c(cc(N=Nc4ccccc4)cc3OC)C=[N+]1[N-]C(N)=S)C[N+]([N-]C(N)=S)=C2 MOL14862
-COc1cc(N=[N+]2c3ccccc3C(=O)[OH+][Mo]2(=O)=O)cc2c1[OH+][Mo](=O)(=O)[N+]([N-]C(N)=S)=C2 MOL14863
-COc1cc(N=[N+]2[Cu-][OH+]C(=O)c3ccccc32)cc2c1[OH+][Cu-][N+]([N-]C(=S)Nc1ccc(C)cc1)=C2 MOL14864
-CCCC(=O)OC1C(C(O)CO)OC2OC(C)(C)OC21 MOL14865
-O=C(Nc1ccccc1)n1cc(-c2ccccn2)c(N2CCOCC2)n1 MOL14866
-Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 MOL14867
-CC(=O)Nc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1 MOL14868
-O=C(NC(=Cc1ccc2c(c1)OCO2)c1nc2ccccc2[nH]1)c1ccccc1 MOL14869
-CC1=NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 MOL14870
-O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1 MOL14871
-CC1=NC(=Cc2c(O)ccc3ccccc23)C(=O)O1 MOL14872
-O=C1OC(c2ccccc2)=NC1=Cc1cc(Cl)ccc1Cl MOL14873
-CC1=NC(=Cc2cccc3ccccc23)C(=O)O1 MOL14874
-O=C(NC(=Cc1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3s2)cc1)c1nc2ccccc2s1)c1ccccc1 MOL14875
-CC1=NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)O1 MOL14876
-O=C1OC(c2ccccc2)=NC1=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 MOL14877
-COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NN)cc1 MOL14878
-Cc1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(C)cc3)C2=O)cc1 MOL14879
-CC(=O)C1C(=O)C(=O)N(c2ccc(Cl)cc2C)C1=O MOL14880
-Cc1cccc(C)c1NC(=O)C1C(=O)N(c2c(C)cccc2C)C(=O)C1=NNC(N)=S MOL14881
-NN=C1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1C(=O)Nc1ccc(Cl)c(Cl)c1 MOL14882
-NN=C1C(=O)N(C2CCCCCC2)C(=O)C1C(=O)NC1CCCCCC1 MOL14883
-CCCCCNC(=O)C1C(=O)N(CCCCC)C(=O)C1=NN MOL14884
-COCCCNC(=O)CC(=O)NCCCOC MOL14885
-NN=C1C(=O)N(Cc2ccccc2)C(=O)C1C(=O)NCc1ccccc1 MOL14886
-Cc1cc(Cl)ccc1NC(=O)C1C(=O)N(c2ccc(Cl)cc2C)C(=O)C1=NNC(N)=S MOL14887
-COCCCNC(=O)C1C(=O)N(CCCOC)C(=O)C1=NN MOL14888
-Cc1ccccc1NC(=O)C1C(=O)N(c2ccccc2C)C(=O)C1=NNC(N)=O MOL14889
-CC(=O)C1C(=O)C(=O)N(CCN2C(=O)C(=O)C(C(C)=O)C2=O)C1=O MOL14890
-N#CC1C(=O)C(=O)N(c2ccccc2)C1=O MOL14891
-Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)cc3)C(=O)C2=NNC(N)=S)cc1 MOL14892
-CCCCNC(=O)C1C(=O)N(CCCC)C(=O)C1=NN MOL14893
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C)cc1 MOL14894
-NC(=S)NN=C1C(=O)N(CCc2ccccc2)C(=O)C1C(=O)NCCc1ccccc1 MOL14895
-COc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)NC(C)=C1C(=O)Nc1ccccc1 MOL14896
-N#CC1C(=O)NC(=O)C1=O MOL14897
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1cccc2ccccc12 MOL14898
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1OC MOL14899
-COc1ccc(NC(=O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2=NNC(N)=O)cc1 MOL14900
-CC(=O)C1C(=O)NC(=O)C1=O MOL14901
-O=C1OC(c2ccccc2)=NC1=Cc1ccccc1O MOL14902
-O=C1OC(c2ccccc2)=NC1=Cc1ccc(Br)cc1 MOL14903
-O=C1OC(c2ccccc2)=NC1=Cc1ccccc1Cl MOL14904
-O=C1OC(c2ccccc2)=NC1=Cc1ccco1 MOL14905
-COc1cc(C=C2N=C(c3ccccc3)OC2=O)cc(OC)c1OC MOL14906
-CCOc1cc(C=C2N=C(c3ccccc3)OC2=O)ccc1O MOL14907
-COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(Cl)c(C(=O)OC(C)C)c1 MOL14908
-Nc1ccc2c(c1)C(=O)N(O)C2=O MOL14909
-CS(=O)(=O)ON1C(=O)c2ccc(N)cc2C1=O MOL14910
-CC(C)S(=O)(=O)ON1C(=O)c2ccc(N(C)C)cc2C1=O MOL14911
-CN(C)c1ccc2c(c1)C(=O)N(OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2=O MOL14912
-CC(C)S(=O)(=O)ON1C(=O)c2ccc([N+](=O)[O-])cc2C1=O MOL14913
-Cc1ccc(S(=O)(=O)O)cc1.Cc1cccc(C=NNC(=N)NO)n1 MOL14914
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=C=C1C(=O)Nc2ccc(F)cc21 MOL14915
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cccs1 MOL14916
-CS(=O)(=O)Oc1cccc(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL14917
-Cc1ccc(S(=O)(=O)O)cc1.N#Cc1cccc(C=NNC(=N)NO)c1 MOL14918
-COc1ccc(OC)c(C=NNC(=N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL14919
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc(C(F)(F)F)cc1 MOL14920
-O=c1nc2occc2cn1C1CC(O)C(CO)O1 MOL14921
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCC(=O)O)[SH+][Ni-2]23[SH+]1 MOL14922
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4cnc[nH]4)C(=O)O)[SH+][Ni-2]23[SH+]1 MOL14923
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCCc4c[nH]cn4)[SH+][Ni-2]23[SH+]1 MOL14924
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(C)C(=O)O)[SH+][Ni-2]23[SH+]1 MOL14925
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4ccccc4)C(=O)O)[SH+][Ni-2]23[SH+]1 MOL14926
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(CC(C)C)C(=O)O)[SH+][Ni-2]23[SH+]1 MOL14927
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NC(Cc4ccc(O)cc4)C(=O)O)[SH+][Ni-2]23[SH+]1 MOL14928
-CSCCC(NC1=N[N+]2=C(c3ccccc3)C=[N+]3N=C(SC)[SH+][Ni-2]32[SH+]1)C(=O)O MOL14929
-CSC1=N[N+]2=CC(c3ccccc3)=[N+]3N=C(NCCC(=O)O)[SH+][Ni-2]23[SH+]1 MOL14930
-C=C(CCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.[NaH] MOL14931
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2O MOL14932
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2O MOL14933
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2=O MOL14934
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC2=O MOL14935
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CC(=NO)C2=O MOL14936
-CC12CC(=CO)C(=O)C(O)=C1CCC1C2CCC2(C)C(O)CCC12 MOL14937
-CC12Cc3conc3C(O)=C1CCC1C2CCC2(C)C(O)CCC12 MOL14938
-CC12CCC3C(CCC4=C(O)C(=O)CCC43C)C1CCC(=O)N2 MOL14939
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC(=O)N2 MOL14940
-CC12CCC3C(CCC4c5nonc5CCC43C)C1CCC(=O)N2 MOL14941
-CC12CCC3C(CCC4=C(O)C(=NO)CCC43C)C1CCC(=O)N2 MOL14942
-CC12CCC3C(CCC4c5nn(-c6ccccc6)nc5CCC43C)C1CCC(=O)N2 MOL14943
-CN1CCCC2C3CCC4=C(O)C(=O)CCC4(C)C3CCC21C MOL14944
-CN1CCCC2C3CCC4c5nonc5CCC4(C)C3CCC21C MOL14945
-CC(=O)OC1CCC2C3CCC4=C(O)c5nocc5CC4(C)C3CCC12C MOL14946
-CC12CCC3C(CCC4C(=O)c5[nH]ncc5CC43C)C1CCC2O MOL14947
-CC(=O)OC1CCC2C3CCC4C(=O)c5[nH]ncc5CC4(C)C3CCC12C MOL14948
-CC12Cc3cn[nH]c3C(=O)C1CCC1C2CCC2(C)C1CCC2(C)O MOL14949
-CN(C)c1ccc(C=CC=Cc2cc(C=CC=Cc3ccc(N(C)C)cc3)c3ccccc3[s+]2)cc1.[O-][Cl+3]([O-])([O-])O MOL14950
-Brc1ccccc1C=NC12CC3CC(CC(C3)C1)C2 MOL14951
-Brc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL14952
-Brc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL14953
-O=[N+]([O-])c1ccccc1C=NC12CC3CC(CC(C3)C1)C2 MOL14954
-O=[N+]([O-])c1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL14955
-O=[N+]([O-])c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL14956
-Fc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL14957
-Cc1ccccc1C=NC12CC3CC(CC(C3)C1)C2 MOL14958
-Cc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL14959
-Cc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL14960
-FC(F)(F)c1ccccc1C=NC12CC3CC(CC(C3)C1)C2 MOL14961
-FC(F)(F)c1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL14962
-C=C1C(O)C2(C(=O)N1OC)C(=CCC)C=CC(=O)C2O MOL14963
-CC(C(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)c1ccccc1 MOL14964
-O=CCC1C(=O)CC2CCCC21 MOL14965
-Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1 MOL14966
-Cc1ccc2[nH]c(Sc3c([N+](=O)[O-])ncn3C)nc2c1 MOL14967
-Cn1cnc([N+](=O)[O-])c1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1 MOL14968
-Cn1cnc([N+](=O)[O-])c1Sc1nc2cc(F)c(Cl)cc2[nH]1 MOL14969
-COc1cc2nc(Sc3c([N+](=O)[O-])ncn3C)[nH]c2cc1OC MOL14970
-COc1ccc(OC)c2[nH]c(Sc3c([N+](=O)[O-])ncn3C)nc12 MOL14971
-Cn1cnc([N+](=O)[O-])c1Sc1nc2cccnc2[nH]1 MOL14972
-Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2o1 MOL14973
-Cn1cnc([N+](=O)[O-])c1Sc1nc2ccccc2s1 MOL14974
-Cn1cnc([N+](=O)[O-])c1Sc1nc2cccnc2s1 MOL14975
-Cc1cc(C)cc(Sc2c([N+](=O)[O-])ncn2C)c1 MOL14976
-Cn1cnc([N+](=O)[O-])c1Sc1ccccc1C(=O)O MOL14977
-Cn1cnc([N+](=O)[O-])c1Sc1ccccc1N MOL14978
-Cn1cnc([N+](=O)[O-])c1Sc1ccccn1 MOL14979
-Cn1cnc([N+](=O)[O-])c1Sc1ncccn1 MOL14980
-Cc1cc(C)nc(Sc2c([N+](=O)[O-])ncn2C)n1 MOL14981
-Cn1cnc([N+](=O)[O-])c1Sc1nccc(O)n1 MOL14982
-Cn1cnc([N+](=O)[O-])c1Sc1ncc[nH]1 MOL14983
-Cn1ccnc1Sc1c([N+](=O)[O-])ncn1C MOL14984
-CCn1c(C)nc([N+](=O)[O-])c1Sc1ncc[nH]1 MOL14985
-Cn1cnc([N+](=O)[O-])c1Sc1nccn1-c1ccccc1 MOL14986
-Cn1cnc([N+](=O)[O-])c1Sc1nccn1-c1cccc2ccccc12 MOL14987
-Cn1cnc([N+](=O)[O-])c1Sc1nnnn1C MOL14988
-Cn1cnc([N+](=O)[O-])c1Sc1nnnn1-c1ccccc1 MOL14989
-Cn1cnc([N+](=O)[O-])c1SC1=NCCS1 MOL14990
-CCOC(=O)CSc1c([N+](=O)[O-])ncn1C MOL14991
-Cn1cnc([N+](=O)[O-])c1Sc1nnc[nH]1 MOL14992
-Cn1cnnc1Sc1c([N+](=O)[O-])ncn1C MOL14993
-Cn1cnnc1Sc1c([N+](=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1C MOL14994
-Cn1cnc([N+](=O)[O-])c1Sc1nnc(C(F)(F)F)n1C MOL14995
-Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)n1C MOL14996
-Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2cccnc2)n1C MOL14997
-Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccc(Cl)cc2)[nH]1 MOL14998
-COc1ccc(-c2nnc(Sc3c([N+](=O)[O-])ncn3C)[nH]2)cc1 MOL14999
-CCC(C)C(N)C(=O)NC(C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)O)C(C)CC)C(C)CC MOL15000
-CC(C)CC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)O MOL15001
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)O)C(C)C MOL15002
-CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)O MOL15003
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O MOL15004
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O MOL15005
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O MOL15006
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(N)=O)C(=O)NCC(=O)O MOL15007
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)O MOL15008
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O MOL15009
-CC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(=O)O)C(C)O MOL15010
-CCC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O MOL15011
-CCC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O MOL15012
-CCC(C)C(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)O)C(C)O)C(C)O MOL15013
-CCC(C)C(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)O)C(C)O)C(C)O MOL15014
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O MOL15015
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O MOL15016
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O MOL15017
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O MOL15018
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)O MOL15019
-CCC(C)C(N)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NCC(=O)O)C(C)CC)C(C)O MOL15020
-CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)O MOL15021
-CC(C)CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)O)C(C)O)C(C)C MOL15022
-CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)C(C)O MOL15023
-CCN(CCCl)CCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl MOL15024
-COc1ccc2nc3ccccc3c(NCCCCCN(C)CCCl)c2c1.Cl MOL15025
-CCN(CCCl)CCCCCNc1c2ccccc2nc2ccc(OC)cc12.Cl MOL15026
-COC(=O)c1ccc(NC=C(C#N)c2ccsc2)cc1 MOL15027
-CN=S(=O)(CC1(O)CC2OC1C1OC(C)(C)OC21)c1ccccc1 MOL15028
-CCN(CC)C(c1ccc(N(C)C)cc1)C(c1ccc(N(C)C)cc1)N(CC)CC MOL15029
-CC(=O)OC1CSCC(OC(C)=O)C1[N+](=O)[O-] MOL15030
-CC(C)(C)C(=O)N1C(C(=O)O)Cc2ccccc2C1Cc1ccccc1 MOL15031
-COC(=O)C1=C(C(=O)OC)C2(CCCCCC2=O)OC1=O MOL15032
-O=C(c1ccccc1)c1c(-c2ccccc2)sc2nc3ccccc3nc12 MOL15033
-CC(=O)Cc1cc(=O)c2c(C)cc(O)c(C3OC(CO)C(O)C(O)C3O)c2o1 MOL15034
-O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21 MOL15035
-O=C1CC2CCCN2C(c2ccccc2)C1 MOL15036
-O=C(O)CCC1(Br)CCCCC(Br)C1=O MOL15037
-N=C1NC2=C(CCCC2)C(c2cccs2)S1 MOL15038
-COc1cc2nc(NCCCCCNC(=O)c3ccco3)nc(N)c2cc1OC.Cl MOL15039
-Cn1[nH]c(=N)nc1N=S(C)(C)=N MOL15040
-O=C(Sc1sc(=S)sc1SC(=O)c1ccccc1)c1ccccc1 MOL15041
-CN(C)c1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 MOL15042
-Cc1c(C(Cc2ccccc2N(C)C(=O)C=CC(=O)O)c2c[nH]c3ccccc23)c2ccccc2n1C MOL15043
-Cc1c(C2Cc3ccccc3N2)c2ccccc2n1C.Cl MOL15044
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C=CC(=O)O MOL15045
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C=CC(=O)O MOL15046
-Cc1c(C2Cc3ccccc3N2C(=O)C=CC(=O)O)c2ccccc2n1C MOL15047
-O=C(O)CCC(=O)N1c2ccccc2CC1c1c[nH]c2ccccc12 MOL15048
-O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)O MOL15049
-O=C1C(=NO)C2CCC1C2 MOL15050
-CCOC1C2C=CC(C2)C1[N+](=O)[O-] MOL15051
-O=C(Cc1ccccc1[N+](=O)[O-])C(CO)c1ccccc1[N+](=O)[O-] MOL15052
-O=c1oc2ccccc2[n+](=O)[c-]1-c1ccccc1 MOL15053
-CC1C(O)=C(O)c2ccccc2N1O MOL15054
-COc1ccc(C23C(=O)c4ccccc4N2OC2C(=O)N(c4ccccc4)C(=O)C23)cc1 MOL15055
-C[C-]1C(=O)C(=O)c2ccccc2[N+]1=O MOL15056
-C=C(C(=C)P(=S)(c1ccccc1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1 MOL15057
-S=P(c1ccccc1)(c1ccccc1)C1(C2(P(=S)(c3ccccc3)c3ccccc3)CC2)CC1 MOL15058
-C=C(C(=C)P(=S)(C(C)C)C(C)C)P(=S)(C(C)C)C(C)C MOL15059
-N=C1NCCC1(c1ccccc1)c1ccccn1 MOL15060
-N=C1NCC(c2ccccn2)C1c1ccc(F)cc1 MOL15061
-COc1ccc(C2C(=N)NCC2c2ccccn2)cc1 MOL15062
-COc1cc2c(cc1OC(=O)CC(C)O)C1C(OC2=O)C(OC(C)=O)C=C2CCN(C)C21 MOL15063
-Oc1cc(O)c(Oc2cccc(O)c2O)c(O)c1 MOL15064
-COc1cc(OC)c(Oc2cccc(OC)c2OC)c(OC)c1 MOL15065
-Clc1ccc(C(n2cc(Br)cn2)n2cc(Br)cn2)cc1 MOL15066
-O=C(O)c1ccc(O)c(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)c1 MOL15067
-O=C(O)c1ccc(O)c(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c1 MOL15068
-O=C(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1 MOL15069
-CN1C(=O)N=C(Nc2nc(Cc3ccc4c(c3)OCO4)cn2C)C1=O MOL15070
-CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1 MOL15071
-COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 MOL15072
-CCC1CC(C)=CCN1S(=O)(=O)c1ccc(C)cc1 MOL15073
-CCC1C2C=CC(CC2)N1S(=O)(=O)c1ccc(C)cc1 MOL15074
-CCC1C(C)C=CC(C)N1S(=O)(=O)c1ccc(C)cc1 MOL15075
-N#Cc1c(CC(=O)O)cc(=O)n2c1[nH]c1ccccc12 MOL15076
-COC(=O)Cc1cc(=O)n2c([nH]c3ccccc32)c1C#N MOL15077
-COC(=O)Cc1cc(=O)n2c3ccccc3n(C)c2c1C#N MOL15078
-Cn1c2ccccc2n2c(=O)c3c(c(C#N)c12)CCCC3 MOL15079
-N#Cc1c2c(c(Cl)n3c1nc1ccccc13)CCCC2 MOL15080
-N#Cc1c2c(c(N=[N+]=[N-])n3c1nc1ccccc13)CCCC2 MOL15081
-N#Cc1c2c(c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)n3c1nc1ccccc13)CCCC2 MOL15082
-Cn1c(=O)c2c3oc(=O)cc(O)c3c(=O)n3c2n(c1=O)-c1ccccc1-3 MOL15083
-CCOc1c(Cc2ccccc2)c(=O)n2c3ccccc3n3c(=O)n(C)c(=O)c1c23 MOL15084
-CN(C)C(=O)Oc1c(-c2ccccc2)c(=O)n2c3ccccc3n3c(=O)n(C)c(=O)c1c23 MOL15085
-CC(C)(C)[Si](OCC1OC(=O)C2CN(Cc3ccccc3)CC12)(c1ccccc1)c1ccccc1 MOL15086
-Cc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 MOL15087
-c1ccc2c3c([nH]c2c1)C1C2CCCCN2C(c2ccncc2)N1CC3 MOL15088
-C=C1C2OC3CC(=O)C(O)C2(C(=O)N1OC)C3C=CC MOL15089
-CC1=NN=N[NH+]1[Co-4](N)(N)(N)(N)N.[Cl-] MOL15090
-CC1=N[NH+]([Co-4](N)(N)(N)(N)N)N=N1.[Cl-] MOL15091
-N[Co-4](N)(N)(N)(N)[NH+]1N=NC(c2ccccc2)=N1.[Cl-] MOL15092
-N#CC1=N[NH+]([Co-4](N)(N)(N)(N)N)N=N1.[Cl-] MOL15093
-NC(=O)C1=N[NH+]([Co-4](N)(N)(N)(N)N)N=N1.[Cl-] MOL15094
-N[Co-4](N)(N)(N)(N)[NH+]1N=NC(C(=O)[O-])=N1.[Cl-] MOL15095
-N[Co-4](N)(N)(N)(N)[NH+]1N=NC(c2[nH]nn[nH+]2)=N1.[Cl-] MOL15096
-C=CC1=CC(C)CC1(O)C(=O)OC MOL15097
-COC(=O)C1(O)CC(C)C=C1C=O MOL15098
-COc1cc(N=Nc2ccccc2)cc2c1[OH+][Fe-2]1([OH+]c3c(cc(N=Nc4ccccc4)cc3OC)C=NN1C(N)=S)N(C(N)=S)N=C2 MOL15099
-C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC=CC(=O)C4(C)C3CCC12C MOL15100
-O=C1[OH+][Co-4]23(NCCN2)([OH+]C1=O)[OH+]C(=O)C(=O)[OH+]3.[K+] MOL15101
-[K+].[N-]=[N+]=[NH+][Co-4]1([NH+]=[N+]=[N-])([NH+]=[N+]=[N-])([NH+]=[N+]=[N-])NCCN1 MOL15102
-O[Co-2]12[OH+]c3ccc[n+]1c3C=[N+]2c1ccccc1 MOL15103
-O=S(=O)([O-])c1ccc([N+]2=Cc3ccccc3[OH+][Co-2]23[OH+]c2ccccc2C=[N+]3c2ccc(S(=O)(=O)[O-])cc2)cc1 MOL15104
-C1=[N+](Cc2ccccc2)[Co-2]2([OH+]c3ccccc31)[OH+]c1ccccc1C=[N+]2Cc1ccccc1 MOL15105
-N.N[Co-4]1(N)(N)(N)[OH+]S(=O)(=O)S(=O)(=O)[OH+]1 MOL15106
-O=S(O)(=[OH+])c1ccc2c(c1)[OH+][Co-2]1([OH+]c3cc(S(=O)(O)=[OH+])ccc3C=[N+]1c1ccccc1)[N+](c1ccccc1)=C2 MOL15107
-N.N[Co-4](N)([OH+][N+](=O)[O-])([OH+][N+](=O)[O-])([OH+][N+](=O)[O-])[OH+][N+](=O)[O-] MOL15108
-O=[N+]([O-])[Co-4]1([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])NCCN1.[K+] MOL15109
-N[Co-4](N)(N)(N)(O)O.OS(O)(=[OH+])=[OH+] MOL15110
-CC(O)C(C(=O)[O-])[N+]1=Cc2ccccc2[OH+][Co-2]12[OH+]c1ccccc1C=[N+]2C(C(=O)[O-])C(C)O MOL15111
-O=C([O-])[OH+][Co-2]1([OH+]C(=O)[O-])NCCN1.[K+] MOL15112
-O=C1[OH+][Co-4]23(NCCN2)([OH+]1)[OH+]C(=O)[OH+]3.[K+] MOL15113
-CC(C)(CO)[N+]1=Cc2ccccc2[OH+][Co-2]12[OH+]c1ccccc1C=[N+]2C(C)(C)CO MOL15114
-O=C(O)CC(c1ccccc1)c1ccccc1 MOL15115
-CC(=O)OC1CCCCC1c1ccccc1 MOL15116
-NC(=O)NN=C1CCCCC1c1ccccc1 MOL15117
-O=C(c1ccccc1)C(O)(Cc1ccccc1)c1ccccc1 MOL15118
-O=C(c1ccccc1)C(O)(c1ccccc1)C(c1ccccc1)c1ccccc1 MOL15119
-O=C(C(=NNc1ccccc1)C(=O)c1ccccc1)c1ccccc1 MOL15120
-CCOC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 MOL15121
-OC1(C2(O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21 MOL15122
-COc1ccc(C(CC(=O)O)c2ccccc2)cc1 MOL15123
-O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 MOL15124
-CC(CCc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL15125
-CC(=NNC(=O)c1ccccc1)C(C)=NNC(=O)c1ccccc1 MOL15126
-COC(=O)CC(c1ccc(OC)cc1)C(CC(=O)OC)c1ccc(OC)cc1 MOL15127
-O=C(O)CC(c1ccccc1)C(CC(=O)O)c1ccccc1 MOL15128
-O=C1c2ccccc2C2CC1c1ccccc12 MOL15129
-O=C(C(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1 MOL15130
-CC1(O)c2ccccc2CCc2ccccc21 MOL15131
-O=C(O)C(=C(c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 MOL15132
-CCC(O)(Cc1ccccc1)C(C(=O)O)c1ccccc1 MOL15133
-CCOC(=O)CC(O)(c1ccccc1)c1ccccc1 MOL15134
-O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O MOL15135
-O=C(c1ccccc1)N(N=c1c(=O)c2cccc3cccc1c32)c1ccccc1 MOL15136
-Oc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 MOL15137
-O=C(C=Cc1ccccc1)c1c2ccccc2cc2ccccc12 MOL15138
-Cc1cccc(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NNC(=S)NN)C2=O)c1C MOL15139
-Cc1ccc2nc(NC(=O)C(=O)C(C#N)c3nc4ccccc4s3)sc2c1 MOL15140
-CCOC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL15141
-NC(=S)NN=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 MOL15142
-Cc1cccc(C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NNC(=O)c2ccccc2O)C1=O MOL15143
-O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)c(Cl)c3)nc21 MOL15144
-C=CCNc1nc2c(s1)C(=O)c1ccccc1C2=O MOL15145
-O=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL15146
-CCOC(=O)C(=O)Nc1c(C)cccc1C(C)(C)C MOL15147
-N#CCc1nc2c(s1)C(=O)c1ccccc1C2=O MOL15148
-O=C1c2ccccc2C(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc21 MOL15149
-O=C1c2ccccc2C(=O)c2sc(Nc3ccccc3Cl)nc21 MOL15150
-O=C1c2ccccc2C(=O)c2sc(Nc3cccc(Cl)c3)nc21 MOL15151
-O=C1c2ccccc2C(=O)c2sc(Nc3ccc(Cl)cc3)nc21 MOL15152
-O=[N+]([O-])c1ccc(C2=Nc3ccccc3S(=O)C(c3ccccc3)C2)cc1 MOL15153
-Fc1ccccc1C1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1 MOL15154
-O=S1c2ccccc2N=C(c2ccc3ccccc3c2)CC1c1ccccc1F MOL15155
-CC(=O)Nc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2=O)cc1 MOL15156
-O=[N+]([O-])c1ccc(C2CC(c3ccccc3Cl)=Nc3ccccc3S2=O)cc1 MOL15157
-c1ccc2c(c1)N=C(c1ccc3ccccc3c1)CC(c1cccc3ccccc13)S2 MOL15158
-Nc1ccc(C2=Nc3ccccc3SC(c3ccccc3O)C2)cc1 MOL15159
-O=S1c2ccccc2N=C(c2ccc3ccccc3c2)CC1C1=CC=CCC1 MOL15160
-O=S1c2ccccc2NC(c2ccc3ccccc3c2)CC1c1ccccc1 MOL15161
-O=S1(=O)c2ccccc2NC(c2ccc3ccccc3c2)CC1c1ccccc1F MOL15162
-Cc1cccc(NC(=O)Cc2nc3ccccc3s2)c1C MOL15163
-O=C(Cc1nc2ccccc2s1)Nc1cccc(C(F)(F)F)c1 MOL15164
-c1ccc2c(c1)N=C(c1cccc3ccccc13)CC(c1cccc3ccccc13)S2 MOL15165
-O=S1c2ccccc2N=C(c2cccs2)CC1c1ccccc1O MOL15166
-Cc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3S2)cc1 MOL15167
-Clc1ccc(Cc2nc3ccccc3s2)c(Cl)c1 MOL15168
-Cc1ccc(C2=Nc3ccccc3SC(c3cccc4c3OCO4)C2)cc1 MOL15169
-CCOC(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)=NNC(=O)C(=O)NN MOL15170
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL15171
-CC(CCn1[nH]c(=O)ccc1=O)=NNC(=O)C(=O)NN MOL15172
-CC1=C(C(=O)Nc2ccccc2)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2ccccc2)=C(C)N1 MOL15173
-CC(C(=O)c1ccc(Cl)cc1)C1OC(=O)C(Cl)=C1Cl MOL15174
-O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NO MOL15175
-CCCCNC1=C(C(=O)OCC)C(=O)CO1 MOL15176
-N=C(N)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL15177
-CC(C)(C)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL15178
-CCOC(=O)C1SC(=Nc2ccc(Cl)c(Cl)c2)N=C1C MOL15179
-Cc1ccc(C)c(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3Cl)S2)c1 MOL15180
-O=C1OC(CC(=O)c2ccc(Cl)c(Cl)c2)C(Cl)=C1Cl MOL15181
-Cc1cc(Cl)ccc1NC(=O)CC1SC(=N)NC1=O MOL15182
-C=CCNC1=NC(=O)C(CC(=O)Nc2cccc(Cl)c2)S1 MOL15183
-O=C(O)CSc1nnc(-c2ccccc2)[nH]1 MOL15184
-C=CCNC1=NC(=O)C(CC(=O)Nc2ccc(C)cc2)S1 MOL15185
-CCOc1ccc(NC(=O)CC2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 MOL15186
-O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NNC(=O)C[n+]1ccccc1.[Cl-] MOL15187
-CC1=C(C(=O)Nc2ccccc2)C(c2cc(Cl)cc(Cl)c2)C(C(=O)Nc2ccccc2)=C(C)N1 MOL15188
-Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3C)S2)c1 MOL15189
-COc1cc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(OC)c2)ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.[NaH] MOL15190
-C[N+]1(CCNP(=S)(NCC[N+]2(C)Cc3c(ccc4c3OCO4)C3C(O)Cc4cc5c(cc4C32)OCO5)NCC[N+]2(C)Cc3c(ccc4c3OCO4)C3C(O)Cc4cc5c(cc4C32)OCO5)Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4.O MOL15191
-O=[N+]([O-])c1ccc(-c2cnc3ccccn23)cc1 MOL15192
-CN(C)CC1=C(O)C(=O)c2ccccc2C1=O MOL15193
-CC(=O)c1c(O)ccc(O)c1-n1nc(C)c([N+](=O)[O-])c1C MOL15194
-CN1CNC2C(=O)CCC2c2ccccc21 MOL15195
-COc1cc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL15196
-COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc(OC)c1OC MOL15197
-COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC MOL15198
-COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1OC MOL15199
-COc1cc(Nc2nc3cc(C(F)(F)F)ccc3nc2C)cc(OC)c1OC.Cl MOL15200
-N#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccccc1 MOL15201
-C=CC(C)(C)c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O MOL15202
-O=C(O)C#CC(=O)O MOL15203
-O=[N+]([O-])c1ccccc1C=Cc1ccccn1 MOL15204
-O=C1N(O)C2(C=CCCC2)C(=NO)C12CCCCC2 MOL15205
-COc1ccc2c(c1)C(=O)CC(C(=O)O)C2 MOL15206
-CC(=O)Nc1ccccc1C=Cc1ccccn1 MOL15207
-CC(=O)Nc1ccccc1C=Cc1ccccn1 MOL15208
-CCOC(=O)C1Cc2ccc(OC)cc2C2=CC(=O)CCC21 MOL15209
-COc1ccc(CC(CC(=O)O)NC(C)=O)cc1 MOL15210
-O=C(Cc1ccccc1)NC(C(=O)c1ccccc1)c1ccccc1 MOL15211
-N#Cc1cc2ccncc2c2ccccc12 MOL15212
-O=C1C(=Cc2ccccn2)c2ccccc2N1Cc1ccccc1 MOL15213
-O=C1Nc2ccccc2C1(O)Cc1ccccn1 MOL15214
-O=C1Nc2ccccc2C1=Cc1ccccn1 MOL15215
-O=C1C(O)=C(C2CCCCC2)C(=O)c2ccccc21 MOL15216
-COc1ccc(NC=CC2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.[Cl-] MOL15217
-O=C(O)c1c2c(nc3ccccc13)CCCC2 MOL15218
-COc1cnc2cc3c4c(cccc4c2c1)NC3=O MOL15219
-CN1CCC23CCCCC2C1CC1=C3CC(=O)CC1.[O-][Cl+3]([O-])([O-])O MOL15220
-COc1ccc2c(c1OC)C13CCCCC1C(C2)[N+](C)(C)CC3.[I-] MOL15221
-COc1ccc2c(c1O)C1=CC(=O)CCC13CCN(C)C3C2 MOL15222
-C(=Cc1ccnc2ccccc12)c1ccnc2ccccc12 MOL15223
-O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 MOL15224
-Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1 MOL15225
-O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1 MOL15226
-O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1 MOL15227
-O=[N+]([O-])c1ccc(Cc2ccccc2)cc1 MOL15228
-c1ccc(C2=Nc3ccccc3N=C(c3ccccc3)C2)cc1 MOL15229
-O=C(NC(=O)C(Cc1ccccc1)c1ccccc1)C(Cc1ccccc1)c1ccccc1 MOL15230
-CCOC(=O)C(c1ccccc1)c1cccc(C(C(=O)OCC)c2ccccc2)n1 MOL15231
-CC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O MOL15232
-Cc1ccccc1-n1c(C)nc2ccccc2c1=O MOL15233
-Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl MOL15234
-N#CCc1ccccc1C(=O)O MOL15235
-CCOC(=O)C(Cc1ccccc1)C(=O)OCC MOL15236
-c1ccc(Cc2nc3ccccc3[nH]2)cc1 MOL15237
-[C-]#[N+]CS(=O)(=O)c1ccc(C)cc1 MOL15238
-O=C1COCC(=O)N1 MOL15239
-O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)n1 MOL15240
-C=CCC(C(=O)NC(N)=O)c1ccccc1 MOL15241
-O=C(Cc1ccccc1)NC(=O)Nc1ccccc1 MOL15242
-O=C(CC(=O)Nc1ccccc1)Nc1ccccc1 MOL15243
-OC(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1 MOL15244
-OC(c1ccccc1)c1cccc(C(O)c2ccccc2)c1 MOL15245
-O=C1c2ccccc2-c2cccc3cccc1c23 MOL15246
-O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1 MOL15247
-O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 MOL15248
-O=C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 MOL15249
-c1ccc(C2(c3ccccc3)SCCCS2)cc1 MOL15250
-Cc1nc2ccccc2c(=O)n1-c1ccccc1Br MOL15251
-COc1ccc(NC(C)=O)c(Cl)c1 MOL15252
-CC(=O)Nc1cc(C)ccc1Cl MOL15253
-O=C(Cc1ccccc1)Nc1ccccc1Cl MOL15254
-CC(=O)NC(=O)C(C(C)=O)c1ccccc1 MOL15255
-O=[N+]([O-])c1cc(NN=C(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1 MOL15256
-CN1C(=O)C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc21 MOL15257
-CC(=O)NC(=O)CC(=O)c1ccccc1 MOL15258
-O=C(NC(=O)C(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 MOL15259
-O=C(NC(=O)c1ccccc1)NC(=O)c1ccccc1 MOL15260
-O=C(NC(=O)c1ccccc1O)c1ccccc1 MOL15261
-CC(=O)NC(=O)c1ccccc1O MOL15262
-O=C(CC(=O)c1cccnc1)NC(=O)c1ccccc1 MOL15263
-O=C(NC(=O)c1ccccc1)Nc1ccccc1 MOL15264
-O=C(CC(=O)c1ccc(Cl)cc1)Cc1ccc2ccccc2n1 MOL15265
-Oc1nc(CC(O)(c2ccc(C(F)(F)F)cc2)c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 MOL15266
-CCOC(=O)C(=O)Cc1cnc2ccccc2n1 MOL15267
-CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(S)n1 MOL15268
-COC(=O)NN=C(CCC(=O)Nc1ccc(C)c(C)c1)CC(=O)C(C)(C)C MOL15269
-COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)CC#N)ccc1O MOL15270
-COc1ccc(NC(=O)CCC(CC(=O)c2ccco2)=NNC(=O)C(N)=O)cc1 MOL15271
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(=O)NN)cc1C MOL15272
-CCCC(=NNC(=O)c1cc2ccccc2cc1O)C(CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1 MOL15273
-N#CNC1=NC(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=C(c2nc3ccccc3[nH]2)C(N)N1 MOL15274
-CCCc1n[nH]c(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1CC MOL15275
-CC(C)(C)C1=CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NC(S)N1 MOL15276
-CCC(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=NNC(=O)c1cc2ccccc2cc1O MOL15277
-COc1cc(-c2cc(CCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)ccc1O MOL15278
-CCCCCCC(=O)CC(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL15279
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)c2cc3ccccc3cc2O)cc1C MOL15280
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C[N+](C)(C)C)cc1C.[Cl-] MOL15281
-NC(=O)NN=C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)CC(=O)c1ccc(F)cc1 MOL15282
-Cc1ccc(C)c(NC(=O)CCC(=NNC(=O)C(N)=O)C(C)C(=O)c2ccc(O)cc2)c1 MOL15283
-CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)nc(N)n1 MOL15284
-COc1cc(C(=O)CC(CCC(=O)Nc2ccccc2[N+](=O)[O-])=NNC(=O)C(N)=O)ccc1O MOL15285
-CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2)nc(NC#N)n1 MOL15286
-COc1ccc(NC(=O)CCc2cc(-c3ccc(O)c(OC)c3)nc(NC#N)n2)cc1 MOL15287
-CCCCCCC(CC(=O)CCC(=O)NCCc1ccccc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL15288
-COc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(N)=O)cc1 MOL15289
-COc1ccc(NC(=O)CCC(CC(=O)c2ccccc2Cl)=NNc2nnc(C)n2N)cc1 MOL15290
-O=C(CCC(CC(=NO)c1ccc(F)cc1)=NO)N(Cc1ccccc1)Cc1ccccc1 MOL15291
-CCc1cc(CCC(=O)Nc2ccccc2[N+](=O)[O-])nc(S)n1 MOL15292
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C MOL15293
-Oc1ccc(C2Oc3cc(O)cc(C4c5c(cc(O)cc5C5C(c6ccc(O)cc6)OC(c6ccc(O)cc6)C5c5cc(O)cc(O)c5)OC4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1 MOL15294
-Cc1cc(CS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])c(CS(=O)(=O)C=Cc2ccccc2[N+](=O)[O-])cc1C MOL15295
-O=S(=O)(C=Cc1ccc(Cl)cc1Cl)Cc1ccccc1CS(=O)(=O)C=Cc1ccc(Cl)cc1Cl MOL15296
-O=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(CS(=O)(=O)C=Cc2ccc(F)cc2)cc1 MOL15297
-CCCNC(=O)c1ccccc1C(=O)C(Cl)c1ccccc1 MOL15298
-C=CCCC12CCCC(=O)C1Sc1ccccc12 MOL15299
-O=C1C=C(c2c(O)ccc3ccccc23)c2cc(O)ccc2C1=O MOL15300
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N MOL15301
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL15302
-CCCCCC=C(c1cc(Br)cc(C(=O)OC)c1OC)c1cc(Br)cc(C(=O)OC)c1OC MOL15303
-CCCCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL15304
-CCCCCCCCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL15305
-CC1=C2C(=O)C(C)(C)C=C2C(=O)C(C)(O)C12CC2 MOL15306
-CCN(CC)c1ccc(N=C2C=CC(=O)c3ncccc32)c(C)c1 MOL15307
-CCN(CC)c1ccc2c(c1)Nc1cc(=C(C#N)C#N)c3ccccc3c1=N2 MOL15308
-CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1 MOL15309
-CCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL15310
-COC(=O)c1cc(C(=Cc2c(F)c(F)c(F)c(F)c2F)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL15311
-CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL15312
-N#CCCN(CCC#N)c1ccc(C=C2CC(O)(c3ccccc3)NC2=O)cc1 MOL15313
-Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)CC2(O)c2ccccc2)cc1 MOL15314
-N#CCCN(CCC#N)c1ccc(C=C2CC(O)(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 MOL15315
-O=C(NCCCCCCCCCCCCNC(=O)c1cnc2ccccc2n1)c1cnc2ccccc2n1 MOL15316
-O=C(NCCCCCCCCNC(=O)c1cnc2ccccc2n1)c1cnc2ccccc2n1 MOL15317
-O=C(NCCCN1CCN(CCCNC(=O)c2cnc3ccccc3n2)CC1)c1cnc2ccccc2n1 MOL15318
-CCOC(=O)c1cc(OC(C)=O)c2ccccc2c1 MOL15319
-CC1=CC2(O)C(=O)C(C)CC3C(CCC(C)(O)C=C2C1=O)C3(C)C MOL15320
-O=C(NCCCCCCNC(=O)c1cnc2ccccc2n1)c1cnc2ccccc2n1 MOL15321
-CCS(CC)(CC)CC1CCCC2=CCC(P(=O)(c3ccccc3)c3ccccc3)CC21 MOL15322
-O=C1CCCCCCCCCCOC(=O)CCCCCCCCCCO1 MOL15323
-Nc1nc[n+](Cc2ccccc2)c2ncn(Cc3ccccc3)c12.[Br-] MOL15324
-O=P(c1ccccc1)(c1ccccc1)C1CC=C2CCCCCC2C1 MOL15325
-Cc1ccc(S(=O)(=O)NCC2CCCCC2=O)cc1 MOL15326
-CCC1=CCC(P(=O)(c2ccccc2)c2ccccc2)CC1C MOL15327
-FC1OC2OC1C(OCc1ccccc1)C(OCc1ccccc1)C2OCc1ccccc1 MOL15328
-O=P(c1ccccc1)(c1ccccc1)C1CC=C(c2ccccc2)C2(CCCC2)C1 MOL15329
-COC(=O)C1CC(Sc2ccccc2)C(=O)C(C(=O)OC)C1 MOL15330
-COC(=O)C1CCC(=O)C(Sc2ccccc2)C1 MOL15331
-S=C1OC2CCCCC2O1 MOL15332
-COC(=O)c1ccc(C=CS(=O)(=O)c2ccccc2)cc1 MOL15333
-CCCCNC1CCCCCC1O.Cl MOL15334
-O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc(F)cc1 MOL15335
-Cc1c(C(=O)Nc2ccc(Cl)cc2)nc(N)nc1-c1cccc(Cl)c1 MOL15336
-N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)NC1C2CC3CC(C2)CC1C3 MOL15337
-O=C(CO)CC(=O)C(=O)Nc1ccccc1 MOL15338
-CCCCN(CCCC)C(=O)C(=O)C(C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 MOL15339
-Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2nccs2)n1 MOL15340
-N=C1NN(c2ccccc2)C(=O)C1C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 MOL15341
-N#CC(C(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 MOL15342
-COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c2ccc(OC)cc2)cc1 MOL15343
-O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc(S)n1 MOL15344
-O=C(CCCC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)c1ccc2ccccc2c1 MOL15345
-Cc1ccc(NC(=O)CCC(=O)C2CC(=O)CCC2=O)cc1C MOL15346
-O=C(CCC(=O)C1Cc2ccccc2C1=O)Nc1cccc(C(F)(F)F)c1 MOL15347
-Cc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc(S)n1 MOL15348
-N#CC(C(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 MOL15349
-O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc2ccccc2c1 MOL15350
-CCCCN(CCCC)C(=O)C(=O)C(C#N)c1ccc(C)cc1 MOL15351
-Cc1ccc(NC(=O)CCC(=O)C(C#N)c2ccc(Cl)cc2)cc1C MOL15352
-COc1ccc(C(=O)C(C(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1 MOL15353
-Cc1ccc(C)c(NC(=O)C(=O)C2C(=N)NN(c3ccccc3)C2=O)c1 MOL15354
-O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 MOL15355
-N#CNc1nc(N)c(-c2ccc(Cl)cc2)c(C(=O)Nc2nccs2)n1 MOL15356
-CCCc1nc(NC#N)nc(C(=O)Nc2ccccc2)c1CC MOL15357
-CCc1nc(N)nc(C(=O)NCCNC(=O)c2nc(N)nc(CC)c2C)c1C MOL15358
-Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 MOL15359
-N#CC(C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 MOL15360
-CC(C)=Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(N)n1 MOL15361
-CCCc1nc(N)nc(C(=O)Nc2cccc(C(F)(F)F)c2)c1CC MOL15362
-COc1ccc(C(=O)C(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1 MOL15363
-CCc1ccccc1NC(=O)C(=O)C1C(=N)NN(c2ccccc2)C1=O MOL15364
-CCCCC(C(=O)C(=O)Nc1ccc(C)cc1C)C(=O)C(C)C MOL15365
-N#CNc1nc(C(=O)Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1 MOL15366
-N#CC(C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 MOL15367
-O=C(CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc([N+](=O)[O-])cs1 MOL15368
-CC1=C(c2cc(C(=O)Nc3cc(C)ccc3C)nc(N)n2)Sc2ccccc2N1 MOL15369
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-Cc1cccc(C)c1NC(=O)C(=O)C1C(=N)NN(c2ccccc2)C1=O MOL15371
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-O=C(CCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc2ccccc2c1 MOL15379
-CCCCN(CCCC)C(=O)C(=O)CC(=O)C=Cc1ccccc1 MOL15380
-O=C1CCCCCCCCCCC1Sc1ccccc1 MOL15381
-COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 MOL15382
-Cc1cc(C)c([O-])c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1 MOL15383
-Cc1ccc2c3c(c(C)nc2c1)C(=O)c1ccccc1-3 MOL15384
-O=C1Nc2ccccc2C2=NCCN12 MOL15385
-O=C1N=C2Sc3ccc4ccccc4c3N2C1=O MOL15386
-CCOC(=O)c1cnc2sc3ccc4ccccc4c3n2c1=O MOL15387
-N=c1nc2sc3ccccc3c(=O)n2[nH]1 MOL15388
-O=c1nc2sc3ccccc3c(=O)n2[nH]1 MOL15389
-O=c1cnn2c(n1)sc1ccc3ccccc3c12 MOL15390
-Cc1nn2c(nc1=O)sc1ccc3ccccc3c12 MOL15391
-O=c1nc2sc3ccc4ccccc4c3n2nc1-c1ccccc1 MOL15392
-CCOC(=O)c1nn2c(nc1=O)sc1ccc3ccccc3c12 MOL15393
-COC(=O)Cc1nn2c(nc1=O)sc1ccc3ccccc3c12 MOL15394
-O=C(O)CCc1nn2c(nc1=O)sc1ccc3ccccc3c12 MOL15395
-O=c1c2ccccc2sc2nc(CCl)nn12 MOL15396
-COc1ccc2cc1-c1cc(ccc1O)CC1NCCc3cc4c(cc31)Oc1c(c(OC)c(OC)c3c1C(C2)N(C)CC3)O4 MOL15397
-O=c1c2cc(Cl)ccc2sc2cccc(Cl)c12 MOL15398
-CC(=O)NC1(C)CCC2CC1C(C)=NC2(C)C MOL15399
-CC(=O)NC1(C)CCC2CC1C(C)=NC2(C)C MOL15400
-Cc1ccc([Hg-]2[S+]=C(NNc3ccccc3)[SH+]2)cc1 MOL15401
-CCCCCCCCCCCC(=O)C1=C(O)CCCC1=O MOL15402
-CCCCCCCCCCCC(=O)C1=C(O)CC(O)CC1=O MOL15403
-O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CCCC1=O MOL15404
-O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CC(O)CC1=O MOL15405
-CCCCCCCCCCCC(=O)c1c(O)cccc1O MOL15406
-O=C(CCCCCCCCCCc1ccccc1)c1c(O)cccc1O MOL15407
-CCCCCCCCCC1CC(=O)OC2=C1C(=O)CCC2 MOL15408
-CCCCCCCCCCCc1noc2c1C(=O)CCC2 MOL15409
-CCCCCCCCCC1CC(=O)Oc2cccc(O)c21 MOL15410
-Cc1noc2c1C(=O)CCC2 MOL15411
-Oc1ccccc1-c1cnnc(-c2ccccc2O)c1 MOL15412
-CCc1noc2ccccc12 MOL15413
-C[Si](C)(c1ccccc1)C1CC(=O)CC(=O)C1 MOL15414
-CCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O MOL15415
-CCCCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O MOL15416
-CCCCCCCCCC(=O)CC(=O)c1ccc(O)cc1O MOL15417
-CCCCCCCCCc1cc(=O)c2c(O)cccc2o1 MOL15418
-CCCCCCCCCCCc1cc(=O)c2c(O)cccc2o1 MOL15419
-CCCCCCCCCc1cc(=O)c2ccc(O)cc2o1 MOL15420
-CCCCCCCCCC1CC(=O)c2c(O)cccc2O1 MOL15421
-CCCCCCCCCC1CC(=O)OC23CCCC(=O)C12O3 MOL15422
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-CC(=O)ON=C(C)c1ccccc1O MOL15426
-CCCCCCCCCC(=O)Oc1cccc2onc(C)c12 MOL15427
-CCCCCCCCCc1cc(=O)c2ccc(OCc3ccccc3)cc2o1 MOL15428
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-CCCc1nc(NC#N)nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1C MOL15436
-CCCCC(C(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(C)C MOL15437
-N=C1NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(Cl)cc1 MOL15438
-Cc1ccccc1NC(=O)C(=NNC(N)=S)C(C#N)c1ccccc1 MOL15439
-N#CCC(=O)NN=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CN(c2ccccc2)NC1=N MOL15440
-O=C(CCC(CC(=O)c1ccc(Br)cc1)=NO)Nc1ccc(Cl)c(Cl)c1 MOL15441
-N#CC(C(=NNC(=O)C(=O)NN)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL15442
-NNC(=O)C(=O)NN=C(CCCC(=O)Nc1ccc(Cl)cc1)CC(=O)c1ccc(F)cc1 MOL15443
-CCc1ccccc1NC(=O)C(=O)C(C#N)c1ccccc1Cl MOL15444
-N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(N)=O MOL15445
-NNC(=O)C(=O)NN=C1CCCC1C(=O)CCC(=O)Nc1cccc(Cl)c1 MOL15446
-Cc1ccccc1C(C#N)C(=NNC(N)=S)C(=O)Nc1c(C)cccc1C MOL15447
-N#CC(C(=NNC(=O)C(=O)NN)C(=O)Nc1nc([N+](=O)[O-])cs1)c1ccc(Cl)cc1 MOL15448
-Cc1ccc(NC(=O)CCCC(CC(=O)c2ccc(Br)cc2)=NNC(=O)CC#N)cc1 MOL15449
-NC(=S)NN=C(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc([N+](=O)[O-])s1 MOL15450
-CCCCCCC(=O)CC(=NNC(N)=S)C(=O)NC1C2CC3CC(C2)CC1C3 MOL15451
-COc1ccc(C(=NNC(=O)C(N)=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cccc32)cc1 MOL15452
-O=C(CCCC(CC(=O)c1ccc(Br)cc1)=NO)Nc1ccccc1 MOL15453
-N#CC(C(=O)C(N)=O)c1ccccc1Cl MOL15454
-Cc1cccc(C)c1NC(=O)CCCC(CC(=O)c1ccc(F)cc1)=NNC(=O)C(=O)NN MOL15455
-COc1ccc(C(=NNC(=O)NN)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 MOL15456
-CC(C)=CC(=O)CC(=NNC(N)=S)C(=O)Nc1ccc(Cl)cc1 MOL15457
-COc1ccc(C(=O)CC(=NNC(N)=S)C(=O)Nc2ccccc2)cc1 MOL15458
-CCCCN(CCCC)C(=O)C(CC(=O)c1cccc2ccccc12)=NNC(=O)c1cc2ccccc2cc1O MOL15459
-Cc1cc(C)cc(NC(=O)CCC(=O)C2CCCC2=NNC(=O)C(=O)NN)c1 MOL15460
-NNC(=O)C(=O)NN=C1CCC(=O)CC1C(=O)CCC(=O)Nc1ccc(Cl)cc1 MOL15461
-N=C1NN(c2ccccc2)C(=O)C1C(=NNC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(C(F)(F)F)c1 MOL15462
-CC(CC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)CC#N MOL15463
-N#CC(C(CCC(=O)Nc1ccc(Cl)cc1)=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1 MOL15464
-CCC(=NO)C(C)C(=O)CCC(=O)Nc1ccc(Cl)cc1 MOL15465
-CC(C(=O)c1ccc(Cl)cc1)C(=NNC(=O)NN)C(=O)Nc1cccc(C(F)(F)F)c1 MOL15466
-Cc1cccc(C)c1NC(=O)CCCC(=O)C1CCCC1=NNC(=O)C(=O)NN MOL15467
-O=C(CCC(CC(=O)c1ccc(Cl)cc1)=NO)Nc1cccc(Cl)c1 MOL15468
-Nc1nc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccc3ccccc3c2)n1 MOL15469
-Cc1cccc(C)c1NC(=O)C(=O)C(C#N)c1ccccc1Cl MOL15470
-NNC(=O)C(=O)NN=C1CCCC1C(=O)CCC(=O)Nc1ccc(Cl)cc1 MOL15471
-N#CC(C(=O)CCCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl MOL15472
-Cc1cccc(C)c1NC(=O)CCC(=O)CC(=O)C(C)C MOL15473
-COC1=CC23C=CC1C(c1ccccc1)C2=C(C)C(=O)N3C(=O)NC1CCCCC1 MOL15474
-CC1=C2C(c3ccccc3)C3C=CC2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O MOL15475
-CC1=C2C(c3ccccc3)C3C=CC2(C=C3C(F)(F)F)N(C(=O)NC2CCCCC2)C1=O MOL15476
-CC1=C2C(c3ccccc3)(c3ccccc3)C3C=CC2(C=N3)N(C(=O)NC2CCCCC2)C1=O MOL15477
-CC1=C2C(c3ccccc3)C3C=CC2(c2ccccc23)N(C(=O)Nc2cccc3ccccc23)C1=O MOL15478
-CCCCCCCCCCCc1c(O)c(O)cc2nc3ccc(Sc4ccccc4)cc3nc12 MOL15479
-CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(C(=O)NC(C(=O)O)C(C)C)ccc3nc12 MOL15480
-CCCCCCCCCCCc1c(O)c(O)cc2nc3cc(Cl)c(Cl)cc3nc12 MOL15481
-CCCCCCCCCCCC1=C(O)C(=NCCN)C=C(O)C1=NCCN MOL15482
-CCCCCCCCCCCC1=C(O)C(=NCCS)C=C(O)C1=NCCS MOL15483
-CCCCCCCCCCCC1=C(O)C(=O)C=C(NC2CCCCC2N)C1=O MOL15484
-CCCCCCCCCCCc1c2[nH]c3cc(C)ccc3oc2cc2[nH]c3cc(C)ccc3oc12 MOL15485
-CCCCCCCCCCCc1c2oc3ccc(C)cc3nc-2cc(O)c1=O MOL15486
-CCCCCCCCCCCc1c2oc3ccc([N+](=O)[O-])cc3nc-2cc(Nc2cc([N+](=O)[O-])ccc2O)c1=O MOL15487
-CCCCCCCCCCCc1c2oc3ccccc3nc-2cc(Nc2ccccc2O)c1=O MOL15488
-CCCCCCCCCCCc1c(O)c(O)cc2nc3ccc(SCCC)cc3nc12 MOL15489
-O=C1C=C2C=CC3CC2(O1)C1CCCN31 MOL15490
-CC(N)CNCCCNCCNCCCNCO.Cl MOL15491
-CC(CNCCCNCCNCCCNCO)[N+](=O)[O-].Cl MOL15492
-Cc1nn(C)cc1P(=S)(c1ccccc1)c1ccccc1 MOL15493
-CC(SC(=S)N1CCOCC1)c1cc2oc(=O)n(C)c2cc1Cl MOL15494
-COc1ccc(C=NNc2nc(-c3cc4oc(=O)n(C)c4cc3Cl)cs2)cc1OC MOL15495
-CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C1C(=O)c2ccccc2C1=O MOL15496
-CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C1C(=O)NC(=S)NC1=O MOL15497
-CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C1C(=O)NC(=O)NC1=O MOL15498
-CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C(C#N)C#N MOL15499
-CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2=CC=C1C(=O)c2ccccc2C1=C(C#N)C#N MOL15500
-CN(C)c1ccc(C(=CC=C2C(=O)c3ccccc3C2=O)c2ccc(N(C)C)cc2)cc1 MOL15501
-CN(C)c1ccc(C(=CC=C2C(=O)NC(=O)NC2=O)c2ccc(N(C)C)cc2)cc1 MOL15502
-CC(=O)C(=CC=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C(C)=O MOL15503
-CN(C)c1ccc(C(=CC=C2c3ccccc3C(=O)c3ccccc32)c2ccc(N(C)C)cc2)cc1 MOL15504
-N#CC(C#N)=CC=C1c2ccccc2Sc2ccccc21 MOL15505
-O=C1c2ccccc2C(=CC=C2c3ccccc3Sc3ccccc32)c2ccccc21 MOL15506
-C=CCSCC(NC(=O)COc1ccccc1)C(=O)NC(C(=O)OCc1ccc([N+](=O)[O-])cc1)=C(C)C MOL15507
-CCOC(=O)CC=CSC1C(NC(=O)COc2ccccc2)C(=O)N1C(C(=O)OCc1ccc([N+](=O)[O-])cc1)=C(C)C MOL15508
-CCCSSC1NC(=O)C1NC(=O)COc1ccccc1 MOL15509
-CC1(C)CC2CC(CC(C)(C)C2=O)C1=O MOL15510
-Oc1cc(O)c(C2c3ccc(O)cc3OC(c3ccc(O)c(O)c3)C2O)c(O)c1 MOL15511
-COC(=O)C1COC(=S)N1C(=O)C(C)C(O)C(C)C MOL15512
-O=C1NC(O)C2ON=C(c3ccccc3)C12 MOL15513
-NS(=O)(=O)c1ccc(NC(=O)Cc2nc3ccccc3s2)cc1 MOL15514
-CC(=O)CC(=O)NC=O MOL15515
-Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2)c(C)c1 MOL15516
-CC(=O)CC(=O)Nc1ccc(OS(N)(=O)=O)cc1 MOL15517
-CC(=O)CC(=O)Nc1ccccc1[N+](=O)[O-] MOL15518
-CC(=O)CC(N)=O MOL15519
-COC(=O)Cc1nc2ccccc2o1 MOL15520
-COc1ccc(Cc2nc3ccccc3s2)cc1OC MOL15521
-O=[N+]([O-])c1ccc(Cc2nc3ccccc3s2)cc1 MOL15522
-N#CC(=Cc1ccccc1)C(NO)Nc1ccccc1 MOL15523
-N#CCC(=O)Nc1ccccc1O MOL15524
-Cc1ccc(NC(=O)CCC(CC(=O)C(C)(C)C)=NNC(=O)C(N)=O)cc1C MOL15525
-CCCCCCC(CC(=O)CCC(=O)NCCc1ccccc1)=NNC(=O)c1ccc2ccccc2c1O MOL15526
-CCc1cc(CCC(=O)Nc2c(C)cccc2C)n[nH]1 MOL15527
-N#CCc1ccc(C(C#N)C(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)=NNC(=O)NN)cc1 MOL15528
-O=C1N=C(Nc2ccccc2Cl)SC1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL15529
-Cc1cc(Cl)ccc1NC(=O)CC1SC(Nc2ccccc2Cl)=NC1=O MOL15530
-Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2cccc(C)c2C)S1 MOL15531
-N=C1NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1 MOL15532
-Cc1ccc(NC(=O)CC2SC(Nc3cccc(Cl)c3C)=NC2=O)cc1 MOL15533
-Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 MOL15534
-O=C(CC1SC(Nc2ccccc2Cl)=NC1=O)Nc1ccc(Cl)cc1Cl MOL15535
-O=C1CC2Sc3ccccc3N=C2N1c1ccc(Cl)cc1Cl MOL15536
-CCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N MOL15537
-COc1c(Cl)cc(C(=Cc2c(F)c(F)c(F)c(F)c2F)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL15538
-COc1c(Cl)cc(C(=O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL15539
-CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1.N MOL15540
-COc1c(Br)cc(C(=O)c2cc(Br)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL15541
-COC(=O)c1c[nH]c2nc(N3CCOCC3)nn2c1=O MOL15542
-O=CC(=C(Cl)c1ccc(O)cc1)c1ccccc1 MOL15543
-C=CC1(C)CC(=O)C2(O)C(O1)C(OC(C)=O)C(OC(C)=O)C1C2C(OC(C)=O)CCC1(C)C MOL15544
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)OP(=O)(O)O)CCC4(C)C3CCC12C MOL15545
-CC=CCC(C)C(OS(=O)(=O)O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.[NaH] MOL15546
-Cn1c2c(c(=O)n(C)c1=O)N1CCC(=O)N=C1N2 MOL15547
-CC1=C(C)CC2(CCCCC2=O)S(=O)C1 MOL15548
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)O)CCC4(C)C3CCC12C MOL15549
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL15550
-FC(F)(F)c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL15551
-COc1ccccc1C=NC12CC3CC(CC(C3)C1)C2 MOL15552
-COc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL15553
-COc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL15554
-CN(C)c1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL15555
-N#Cc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL15556
-N#Cc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1 MOL15557
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)n1 MOL15558
-OC1CCN2CCC(O)C2C1O MOL15559
-CCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N MOL15560
-CCCCCCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N MOL15561
-CCCCCCCCCCCCCCCC=C(c1cc(Br)cc(C(=O)O)c1OC)c1cc(Br)cc(C(=O)O)c1OC.N MOL15562
-CCCCCCCCCCCCCCCC=C(c1cc(Br)cc(C(=O)OC)c1OC)c1cc(Br)cc(C(=O)OC)c1OC MOL15563
-Cl.N=C(Nc1c([N+](=O)[O-])cnc2ccccc12)N1CCOCC1 MOL15564
-Oc1ccc2ccccc2c1N=Nc1ccsc1 MOL15565
-COc1ccc(C2c3cc(OC)c(OC)cc3C(Cc3ccc([N+](=O)[O-])cc3)C2c2ccc([N+](=O)[O-])cc2)cc1OC MOL15566
-CC(C)C1=CC(c2ccccc2)c2ccccc2C1C(C#N)(C#N)C(C)C MOL15567
-CC(C)C1C=C(c2ccccc2)c2ccccc2C1C(C#N)(C#N)C(C)C MOL15568
-Cl.NC1C(O)C(O)C(O)C(O)C1O MOL15569
-COc1cc(-c2ccc(N=Nc3cc4cc(S(=O)(=O)O)ccc4cc3O)c(OC)c2)ccc1N=Nc1cc2cc(S(=O)(=O)O)ccc2cc1O.[NaH] MOL15570
-O=S(=O)(O)c1ccc2c(N=Nc3ccc(C=Cc4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)O)ccc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)ccc2c1.[NaH] MOL15571
-COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4cccc(S(=O)(=O)O)c4c3N)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1N.[NaH] MOL15572
-Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[NaH] MOL15573
-O=S(=O)(O)c1cc(N=Nc2c(O)ccc3ccccc23)ccc1C=Cc1ccc(N=Nc2c(O)ccc3ccccc23)cc1S(=O)(=O)O.[NaH] MOL15574
-O=S(=O)(O)c1cc(N=Nc2ccc(O)cc2O)ccc1C=Cc1ccc(N=Nc2ccc(O)cc2O)cc1S(=O)(=O)O.[NaH] MOL15575
-CCCc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(CCC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N.[NaH] MOL15576
-CCN(CC)c1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4ccc(N)cc4c3O)c(OCCO)c2)cc1.[NaH] MOL15577
-Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(C=Cc4ccc(N=Nc5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c12.[NaH] MOL15578
-CC1=C2CC(OC3OCC(O)C(O)C3O)C(C)C2CC=C(C=O)C2CC3(C)CCC(C(C)C)C3CC12 MOL15579
-Cc1cc(=O)oc2cc3c(cc12)Oc1ccccc1O3 MOL15580
-Cc1cc(C)n(-c2ccnc3cc(Cl)ccc23)n1 MOL15581
-Cc1ccccc1NC1CC(C)(C)NC(C)(C)C1 MOL15582
-CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)N1 MOL15583
-CC1(C)CC(N2CCN(C3CC(C)(C)NC(C)(C)C3)CC2)CC(C)(C)N1 MOL15584
-Cc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2C)CC1 MOL15585
-CC1(C)C=C(N2CCN(C3=CC(C)(C)NC(C)(C)C3)CC2)CC(C)(C)N1 MOL15586
-CC(C)=CC(=O)N1CCN(C(=O)C=C(C)C)CC1 MOL15587
-CC1(C)CC(N(C(=O)C=Cc2ccc([N+](=O)[O-])o2)C2CCCCC2)CC(C)(C)N1 MOL15588
-Cl.O=C(C=Cc1ccco1)N1CCN(Cc2ccccc2)CC1 MOL15589
-Cl.O=C(C=Cc1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccccc2)CC1 MOL15590
-Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)o1.Cl MOL15591
-Cl.NC12CC3CC(C1)CC(C(=O)O)(C3)C2 MOL15592
-COC(=O)C12CC3CC(CC(C(=O)O)(C3)C1)C2 MOL15593
-NC(=O)C12CC3CC(CC(Br)(C3)C1)C2 MOL15594
-COC(=O)C12CC3CC(C1)CC(C(=O)OC)(C3)C2 MOL15595
-Cc1c(C(=O)NCCO)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] MOL15596
-CC1=C(C(=O)N(C)c2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 MOL15597
-N[Pt-2]1(NCCCCCN[Pt-2]2(N)[OH+]C(=O)CC(=O)[OH+]2)[OH+]C(=O)CC(=O)[OH+]1 MOL15598
-COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl MOL15599
-ON=C1C(=Cc2ccc(F)cc2)CCCC1C(NO)c1ccc(F)cc1 MOL15600
-ON=C1C(=Cc2ccc3c(c2)OCO3)CCCC1C(NO)c1ccc2c(c1)OCO2 MOL15601
-ON=C1C(=Cc2ccc(OCc3ccccc3)cc2)CCCC1C(NO)c1ccc(OCc2ccccc2)cc1 MOL15602
-ON=C1C(=Cc2ccc(Oc3ccccc3)cc2)CCCC1C(NO)c1ccc(Oc2ccccc2)cc1 MOL15603
-Cc1ccc(C=C2CCCC(C(NO)c3ccc(C)cc3)C2=NO)cc1 MOL15604
-COc1ccc(C=C2CCCC(C(NO)c3ccc(OC)cc3)C2=NO)cc1 MOL15605
-ON=C1C(=Cc2ccc(Cl)cc2)CCCC1C(NO)c1ccc(Cl)cc1 MOL15606
-ON=C1C(=Cc2ccc(Cl)c(Cl)c2)CCCC1C(NO)c1ccc(Cl)c(Cl)c1 MOL15607
-O=C1C(=Cc2ccc(F)cc2)CCCC1=Cc1ccc(F)cc1 MOL15608
-O=C1C(=Cc2ccc(Br)cc2)CCCC1=Cc1ccc(Br)cc1 MOL15609
-O=C1C(=Cc2ccc3c(c2)OCO3)CCCC1=Cc1ccc2c(c1)OCO2 MOL15610
-O=C1C(=Cc2ccc(OCc3ccccc3)cc2)CCCC1=Cc1ccc(OCc2ccccc2)cc1 MOL15611
-CN(C)CCC(=O)CCN(C)C.Cl MOL15612
-C[N+](C)(C)CCC(=O)CC[N+](C)(C)C.[I-] MOL15613
-CN(C)CCC(CCN(C)C)=NO.Cl MOL15614
-CN(C)CCC(CCN(C)C)=NOC(=O)c1ccccc1.Cl MOL15615
-Cl.O=C1C(=Cc2ccc(Cl)cc2)CNCC1=Cc1ccc(Cl)cc1 MOL15616
-Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1.Cl MOL15617
-COc1ccc(C=C2CNCC(=Cc3ccc(OC)cc3)C2=O)cc1.Cl MOL15618
-C=CC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1 MOL15619
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1 MOL15620
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cccc(Cl)c1 MOL15621
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc(C(=O)O)cc1 MOL15622
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cccc(C(=O)O)c1 MOL15623
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccccc1[N+](=O)[O-] MOL15624
-CCOC(=O)c1ccc(N=Nc2ccc(N(CCC#N)CCC#N)cc2C)cc1 MOL15625
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc(Br)cc1 MOL15626
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1ccc(S(N)(=O)=O)cc1 MOL15627
-Cc1ccc(N=Nc2ccc(N(CCC#N)CCC#N)cc2C)c(Br)c1 MOL15628
-Cc1cc(N(CCC#N)CCC#N)ccc1N=Nc1cc(Cl)ccc1Cl MOL15629
-CCOC(=O)N1CCC(=O)C(CNC23CC4CC(CC(C4)C2)C3)C1.Cl MOL15630
-CN1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1.Cl MOL15631
-CC1OC(n2cc(F)c(=O)[nH]c2=O)C=CC1O MOL15632
-O=C(O)CC(NC(=O)CP(=O)(O)O)C(=O)O MOL15633
-O=C(Nc1cccc(Cc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 MOL15634
-Nc1nc(CC2(O)CCCCC2)cc(-c2ccccc2)n1 MOL15635
-O=C(CC(O)(c1ccccc1)c1ccc(Cl)cc1)NC(=O)c1ccccc1O MOL15636
-Oc1nc(CCc2ccccc2)nc2ccccc12 MOL15637
-Oc1nc(CC(O)c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1 MOL15638
-Cc1nc(O)nc(CC(O)(c2ccccc2)c2ccccc2)c1-c1ccccc1 MOL15639
-O=C(Cc1nc(-c2ccccc2)cc(=O)n1-c1ccccc1Cl)c1ccncc1 MOL15640
-O=c1cc(-c2ccccc2)nc(C=C(O)c2ccncc2)n1-c1ccccc1 MOL15641
-Cc1cc(=O)n(-c2c(C)cccc2Cl)c(C=C(O)c2ccncc2)n1 MOL15642
-Cc1cc(=O)n(-c2ccccc2C)c(C)n1.Cl MOL15643
-Cc1ccccc1-n1c(C)nc(-c2ccccc2)cc1=O MOL15644
-CC1=CC(=O)N(c2c(C)cccc2Cl)C(C)N1 MOL15645
-O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccncc1 MOL15646
-CC(C)(C)OC(=O)Cc1ccc2c(ccn2Cc2ccccc2)c1 MOL15647
-BrCC[N+]12CCCN1CCC2.[Br-] MOL15648
-Cc1nc2ccccc2c(=O)n1-c1ccccc1 MOL15649
-COc1ccccc1-n1c(C)nc2ccccc2c1=O MOL15650
-O=C(Cc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl)c1ccncc1 MOL15651
-O=CN1CCN(C=S)CC1 MOL15652
-CC(=O)N1CCN(C=S)CC1 MOL15653
-O=[PH](O)c1ccccn1 MOL15654
-O=[PH](O)c1cccnc1 MOL15655
-O=[PH](O)c1cccs1 MOL15656
-O=[PH](O)c1ccsc1 MOL15657
-O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1cccc(Cl)c1 MOL15658
-N=C1NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 MOL15659
-O=C(CC1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL15660
-Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3cccc(C)c3C)S2)c1 MOL15661
-CCOc1ccccc1NC(=O)CC1SC(Nc2ccc([N+](=O)[O-])cc2)=NC1=O MOL15662
-CCOc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 MOL15663
-NNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 MOL15664
-O=C(NC1C(=O)NNC1c1cccc([N+](=O)[O-])c1)c1ccccc1 MOL15665
-O=C(NC1C(=O)NNC1c1ccccc1Cl)c1ccccc1 MOL15666
-NNC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 MOL15667
-NNC(=O)C(=Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 MOL15668
-NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1cccc([N+](=O)[O-])c1 MOL15669
-N#CC(C(=O)CCC(=O)C(C#N)c1ccccc1)c1ccccc1 MOL15670
-NC(=O)C(=O)NN=C(CC1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1 MOL15671
-COC(=O)C1=C(O)C(O)=C(C(=O)OC)CC1.[NaH] MOL15672
-COC(=O)C1=C(O)C(O)=C(C(=O)OC)C1.[NaH] MOL15673
-CCCCCCCCCCCCCCCCC(C(=O)OC)=C(O)C(=O)OCC.[NaH] MOL15674
-CCCCCCCCCCCCCCC(C(=O)OC)=C(O)C(=O)OCC.[NaH] MOL15675
-CCOC(=O)C(O)=C(C(=O)OC)c1ccc(Cl)cc1.[NaH] MOL15676
-CCOC(=O)C(C)=C(O)C(=O)OCC.[NaH] MOL15677
-CCOC(=O)C(ON)=C(CCC(C(=O)OC)=C(ON)C(=O)OCC)C(=O)OC MOL15678
-CCCCCCC(O)CC=CCCCCCCC(C(=O)OC)=C(O)C(=O)OCC.[NaH] MOL15679
-CCC(C)(O)c1cn(-c2cccc(S(=O)(=O)O)c2)nn1 MOL15680
-CCCC(O)c1cn(-c2cccc(S(=O)(=O)O)c2)nn1 MOL15681
-CCC(C)(O)c1cn(-c2ccc(S(=O)(=O)O)cc2)nn1 MOL15682
-CCC(C)(O)c1cn(-c2ccc(Cl)cc2)nn1 MOL15683
-NNC(=O)C(NC(=O)c1ccccc1)=C(N)c1ccc(Cl)cc1 MOL15684
-O=C(NNC(=O)C(=Cc1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)Nc1ccc(Cl)cc1 MOL15685
-O=C1OC(c2ccccc2)=NC1=Cc1cccc2ccccc12 MOL15686
-CC(=O)C1CC=C(C)CC1 MOL15687
-O=C(NCc1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)C1=O MOL15688
-O=C1CC(C2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)c2ccccc21 MOL15689
-CCc1cccc(C(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O MOL15690
-CCc1cccc(CC)c1NC(=O)CC1SC(=N)NC1=O MOL15691
-Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2ccc(Cl)cc2Cl)S1 MOL15692
-CCOc1ccc(NC2=NC(=O)C(CC(=O)Nc3ccc(Cl)cc3Cl)S2)cc1 MOL15693
-CCc1cccc(C(C)CC)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O MOL15694
-C=CCCC12CCCC(=O)C1Sc1ccc3ccccc3c12 MOL15695
-O=C1C(Cl)=C(c2ccc(Cl)s2)C(=O)c2ccccc21 MOL15696
-O=C(O)C1=C(C(=O)Nc2ccccc2)C2C=CC1C2 MOL15697
-O=C(O)C1=C(C(=O)Nc2ccc(NC(=O)C3=C(C(=O)O)C4C=CC3C4)cc2)C2C=CC1C2 MOL15698
-CC12CCC(OS(=O)(=O)O)CC1=CCC1C2CCC2(C)C(C(=O)O)CCC12.[NaH] MOL15699
-CCC1(OS(=O)(=O)O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C.[NaH] MOL15700
-CC12CC(Sc3ccccc3N1)c1ccccc1O2 MOL15701
-CC(=O)Nc1ccccc1Sc1ccccc1 MOL15702
-Cc1ccc(Sc2ccccc2N)cc1.Cl MOL15703
-Cc1ccc(Sc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL15704
-Nc1ccccc1S(=O)c1ccccc1 MOL15705
-CC(=O)Nc1ccccc1S(=O)c1ccccc1 MOL15706
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL15707
-Cc1ccc(S(=O)(=O)c2ccccn2)cc1 MOL15708
-CC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1 MOL15709
-O=S(=O)(CC(=NO)c1ccccc1)c1ccccc1 MOL15710
-O=[N+]([O-])c1ccccc1Sc1ccccc1 MOL15711
-Cl.Nc1ccccc1Sc1ccccc1 MOL15712
-O=[N+]([O-])c1ccccc1Sc1ccc(Cl)cc1 MOL15713
-O=[N+]([O-])c1cc(Cl)ccc1Sc1ccc(Cl)cc1[N+](=O)[O-] MOL15714
-O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL15715
-O=S1c2ccccc2-c2ccccc21 MOL15716
-O=S(=O)(c1ccccc1)c1ccccn1 MOL15717
-Cc1ccc(S(=O)(=O)c2ccccc2)cc1 MOL15718
-O=C(CS(=O)(=O)c1ccccc1)c1ccccc1 MOL15719
-NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1 MOL15720
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)cc1 MOL15721
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1 MOL15722
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)no1 MOL15723
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)cc1 MOL15724
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1 MOL15725
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)no1 MOL15726
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccc(Cl)cc4nc23)cc1 MOL15727
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccc(Cl)cc5nc34)cc2)n1 MOL15728
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccc(Cl)cc5nc34)cc2)no1 MOL15729
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1 MOL15730
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1 MOL15731
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)no1 MOL15732
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1 MOL15733
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)n1 MOL15734
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)no1 MOL15735
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)n1 MOL15736
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1 MOL15737
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)n1 MOL15738
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)no1 MOL15739
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)no1 MOL15740
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)cccc34)cc2)n1 MOL15741
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)ccc(Cl)c23)cc1 MOL15742
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)ccc(Cl)c34)cc2)n1 MOL15743
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)ccc(Cl)c34)cc2)no1 MOL15744
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1 MOL15745
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c5ccccc5nc34)cc2)n1 MOL15746
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)no1 MOL15747
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)no1 MOL15748
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)ccc(Cl)c34)cc2)n1 MOL15749
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1 MOL15750
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)n1 MOL15751
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccc(Cl)cc5nc34)cc2)n1 MOL15752
-COC(CO)=C1CC2(OC1=O)C1OC1C1(O)C3C(=O)OC(C(OC)C21C)C3(O)C(C)C MOL15753
-CC1CCC2C(C)C3=C(CN2C1)C1CC2C(CC(O)C4CC(O)CCC42C)C1CC3 MOL15754
-COC12CC3CCC(C(C)c4ccc5c(c41)CC1C5CC(O)C4CC(O)CCC41C)N2C3 MOL15755
-CC1c2ccc3c(c2C2(O)CC4CCC1N2C4)CC1C3CC(O)C2CC(O)CCC21C MOL15756
-CC1c2ccc3c(c2C2(O)CC4CCC1N2C4)CC1C3CC(=O)C2CC(O)CCC21C MOL15757
-CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(O)C1O MOL15758
-CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(O)C1O MOL15759
-CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(O)C1O MOL15760
-CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(O)C1O MOL15761
-CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCC)C1O MOL15762
-CCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCC)C1O MOL15763
-CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCCCC)C1O MOL15764
-CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(N)C(OC(=O)CCCCCCCCCCCCC)C1O MOL15765
-CCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCC)C1O MOL15766
-CCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCC)C1O MOL15767
-CCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCCCC)C1O MOL15768
-CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)OCc2ccccc2)C(OC(=O)CCCCCCCCCCCCC)C1O MOL15769
-Cc1cc(O)c2c(c1)C(C13Cc4cc(O)c5c(c4C1C=CC(O)C3O)C(=O)c1c(O)ccc(O)c1C5=O)OC2=O MOL15770
-CC(O)C(NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)O MOL15771
-CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(N)=O)C(C)O MOL15772
-CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(N)=O)C(C)O MOL15773
-CC(C)CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)C(C)O MOL15774
-CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)O)C(C)O MOL15775
-CC(C)CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(C)N)C(=O)O MOL15776
-CC(C)CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(C)N)C(=O)O MOL15777
-CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(C)O)C(=O)O MOL15778
-CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(N)CCCCN)C(C)O)C(=O)O MOL15779
-CC(C)CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(C)N)C(C)O)C(=O)O MOL15780
-CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(N)C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)O MOL15781
-CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)O MOL15782
-CCC(C)C(NC(=O)C(N)CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)O)C(C)O MOL15783
-CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)O MOL15784
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)C(C)CC MOL15785
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC MOL15786
-COc1ccc2nc3cc(Cl)ccc3c(NCCC(=O)OCC(O)C(O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc3ccccc3)C(C=O)NC(C)=O)c2c1 MOL15787
-CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)C(O)C(O)COC(=O)CCCCCNc1cccc2[nH]c3ccccc3c(=O)c12 MOL15788
-CC(=O)NC(C=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)C(O)C(O)COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL15789
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1N.[NaH] MOL15790
-Cn1cc2c(n1)c(NN=Cc1ccccc1)nn1nnnc21 MOL15791
-CP(=O)(CCSc1ccccc1)c1ccccc1 MOL15792
-CP(=O)(CCSc1ccccc1)c1ccccc1 MOL15793
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCOCC2)c1=O MOL15794
-COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCOCC2)cc1 MOL15795
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCOCC2)c1=O MOL15796
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCOCC2)c1=O MOL15797
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCCC2)c1=O MOL15798
-COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCCC2)cc1 MOL15799
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCC2)c1=O MOL15800
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCCC2)c1=O MOL15801
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccccc2)c(N2CCCCC2)c1=O MOL15802
-COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCCCC2)cc1 MOL15803
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(Cl)cc2)c(N2CCCCC2)c1=O MOL15804
-Cn1nc(-c2ccccc2)c(C(=O)C=Cc2ccc(F)cc2)c(N2CCCCC2)c1=O MOL15805
-COc1ccc(C=Cc2onc3c(=O)n(C)nc(-c4ccccc4)c23)cc1 MOL15806
-Cn1nc(-c2ccccc2)c2c(C=Cc3ccc(Cl)cc3)onc2c1=O MOL15807
-Cn1nc(-c2ccccc2)c2c(C=Cc3ccc(F)cc3)onc2c1=O MOL15808
-CCn1c2c(n(CC)c1=S)-c1c(n(CC)c(=S)n1CC)SSSS2 MOL15809
-CCOC(=O)N1C2C=C(C)C(C3C(C)C(=O)N31)N(C(=O)c1ccccc1)O2 MOL15810
-CCOC(=O)N1C2C=C(C)C(ON2C(=O)c2ccccc2)C2C(C)C(=O)N21 MOL15811
-CCc1cc2c(Nc3ccccc3)c3c(nc2s1)CCCC3 MOL15812
-COC(=O)C1CCc2nnc(-c3ccccc3)n21 MOL15813
-Cc1ccc(N=C2N=C(N3CC(C)OC(C)C3)c3ccccc32)cc1 MOL15814
-c1ccc(N=C2c3ccccc3C3=NCCCN32)cc1 MOL15815
-CCOC(=O)C12CCSC1C1(C#N)C(C#N)=CC2(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2c(=O)n(-c3ccccc3)c(=O)n21 MOL15816
-CC1(C)CC23C(=O)N(c4ccccc4)C(Nc4ccccc4)=NC2=CC(C#N)=C(C#N)C3O1 MOL15817
-CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C1(Cl)C2(C)C2(Cl)C(=O)Oc3cc(OP(=S)(OCC)OCC)ccc3C12C MOL15818
-CCCCCCCCCCCCCCCCN[Ge](NCCCCCCCCCCCCCCCC)(NCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCC.Cl MOL15819
-Nc1ncnc2c1ncn2COCC=CI MOL15820
-C#CCOCn1cnc2ncnc(N)c21 MOL15821
-C#CCOCn1cnc2c(N)ncnc21 MOL15822
-C#CCOCn1cnc2ncnc(Cl)c21 MOL15823
-C#CCOCn1cnc2c(Cl)ncnc21 MOL15824
-C1CCN2CC3CONC3C2C1 MOL15825
-CCCCCCC(C=NO)C(C)(O)CCC MOL15826
-CSC(=NC(=O)c1ccccc1Cl)SCCSC(=NC(=O)c1ccccc1Cl)SC MOL15827
-CSC(=NC(=O)c1ccccc1)SCCSC(=NC(=O)c1ccccc1)SC MOL15828
-O=C(N=C(Nc1ccccc1)SCCSC(=NC(=O)c1ccccc1)Nc1ccccc1)c1ccccc1 MOL15829
-O=C(N=C(Nc1ccccc1)SCSC(=NC(=O)c1ccco1)Nc1ccccc1)c1ccco1 MOL15830
-O=C(N=C(Nc1ccccc1)SCCSC(=NC(=O)c1cccs1)Nc1ccccc1)c1cccs1 MOL15831
-Cc1ccccc1-n1c(=O)sc2c(=O)n(-c3ccccc3)c(=S)[nH]c21 MOL15832
-Cc1ccccc1-n1c(=S)[nH]c2c(sc(=O)n2-c2ccccc2C)c1=O MOL15833
-Cc1cccc(-n2c(=S)[nH]c3c(sc(=O)n3-c3ccccc3C)c2=O)c1 MOL15834
-Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccccc1 MOL15835
-Cc1ccccc1-n1c(N)c(-c2nc3ccccc3[nH]2)sc1=S MOL15836
-Cc1cccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)c1 MOL15837
-Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccc(Cl)cc1 MOL15838
-O=c1sc(-c2nc3ccccc3[nH]2)c(N=Cc2ccccc2)n1-c1ccccc1 MOL15839
-O=C(Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccccc1)c1ccccc1 MOL15840
-S=C(Nc1ccccc1)Nc1[nH]c(=S)sc1-c1nc2ccccc2[nH]1 MOL15841
-Cc1nc2c(sc(=S)n2-c2ccccc2)c2nc3ccccc3n12 MOL15842
-O=C1CSC(Cc2nc3ccccc3[nH]2)=N1 MOL15843
-COc1cc(-c2nn3c(=O)n(-c4ccc(Cl)cc4)c(=O)nc3s2)cc(OC)c1OC MOL15844
-CC1(C)C(c2ccccc2)C12CCC1(C2=O)C(c2ccccc2)C1(C)C MOL15845
-CCN(CC)c1ccc(N=Nc2ccc(-c3nc4cccnc4o3)cc2)cc1 MOL15846
-O=CC1=CC2=Cc3ccccc3C=C(C=C(C=O)C1)C2 MOL15847
-CN1c2ccccc2N(C)C2C1N(C)c1ccccc1N2C MOL15848
-CN1c2ccccc2N(C)C23N(C)c4ccccc4N(C)C12N(C)c1ccccc1N3C MOL15849
-O=C(NC(=O)c1c(Cl)nc2sccn12)Nc1ccc(Cl)cc1 MOL15850
-Cc1nc2sccn2c1C(=O)NC(=O)Nc1ccc(Cl)cc1 MOL15851
-CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C MOL15852
-CCNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1 MOL15853
-c1ccc(N=c2snc3scc(-c4ccccc4)n23)cc1 MOL15854
-Nc1ncnc2c1ncn2C1CC(CO)CO1 MOL15855
-OCC1CC(F)C(n2cnc3c(Cl)ncnc32)O1 MOL15856
-CC(C)C(O)C(=O)C(O)C(C)C MOL15857
-CC(=O)OC(C(=O)C(O)C(C)C)C(C)C MOL15858
-CCCC(O)C(=O)C(CCC)N(CC)CC MOL15859
-CC(C)C(O)C(=O)C(Sc1ccccc1)C(C)C MOL15860
-CC(C)C(O)C(=O)C(F)C(C)C MOL15861
-CC1(C)OCC(C)(C)C(O)C1=O MOL15862
-O=C(O)c1ccccc1SSc1ccccc1C(=O)O MOL15863
-Cc1ccc(SSc2ccc(C)cc2C(=O)O)c(C(=O)O)c1 MOL15864
-Cc1cc(C)c(C(=O)O)c(SSc2cc(C)cc(C)c2C(=O)O)c1 MOL15865
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(N)c1.[NaH] MOL15866
-CCCOC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1 MOL15867
-c1ccc2c(c1)Cc1c(Cc3csc4ccccc34)ccc3cccc-2c13 MOL15868
-O=C1c2ccccc2-c2cccc3ccc(Cc4ccc5ccccc5c4)c1c23 MOL15869
-O=C1c2ccccc2-c2cccc3ccc(Cc4ccccc4)c1c23 MOL15870
-O=C(c1ccc(F)cc1)c1cccc(C(=O)c2ccc(F)cc2)n1 MOL15871
-C#CCN(C(=O)C(F)(F)F)c1ccc(C(=O)c2ccc(N(CC#C)C(=O)C(F)(F)F)cc2)cc1 MOL15872
-O=C1CCC(=O)N1CNc1cccc(NCN2C(=O)CCC2=O)c1 MOL15873
-O=C(c1ccc(NCN2C(=O)CCC2=O)cc1)c1ccc(NCN2C(=O)CCC2=O)cc1 MOL15874
-O=C1NC(=O)C(c2ccccc2)O1 MOL15875
-N#Cc1cccc(N2C(=O)c3c(c(-c4ccccc4)c(-c4ccc(Sc5ccc(-c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6-c6ccccc6)C(=O)N(c6cccc(C#N)c6)C7=O)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)C2=O)c1 MOL15876
-N#Cc1cccc(C2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(N7C(=O)c8ccc(C(=O)c9ccc%10c(c9)C(=O)N(c9cccc(C#N)c9)C%10=O)cc8C7=O)cc6)cc4)C5=O)cc3C2=O)c1 MOL15877
-N#Cc1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4cccc(C#N)c4)C5=O)cc3C2=O)c1 MOL15878
-C#Cc1cccc(N2C(=O)c3c(c(-c4ccccc4)c(-c4ccc(Cc5ccc(-c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6-c6ccccc6)C(=O)N(c6cccc(C#C)c6)C7=O)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)C2=O)c1 MOL15879
-C#CN1C(=O)c2c(c(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5-c5ccccc5)C(=O)N(C#C)C6=O)cc4)cc3)c(-c3ccccc3)c2-c2ccccc2)C1=O MOL15880
-C#Cc1cccc(N2C(=O)C3C4C=CC(C3C2=O)C2C(=O)N(c3cccc(C#C)c3)C(=O)C42)c1 MOL15881
-O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(CCCCCCc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1 MOL15882
-O=C(C(=O)c1ccc(Cc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1)c1ccccc1 MOL15883
-N#Cc1cccc(NC(=O)c2ccc(C(=O)O)c(C(=O)c3ccc(C(=O)O)c(C(=O)Nc4cccc(C#N)c4)c3)c2)c1 MOL15884
-CC(=O)n1c(=O)c2cc3c(=O)n(-c4cccc(C#N)c4)c(=O)c3cc2c1=O MOL15885
-N#Cc1cccc(N2C(=O)C3C4C=CC(C3C2=O)C2C(=O)N(c3cccc(C#N)c3)C(=O)C42)c1 MOL15886
-O=C(C=C1Nc2ccccc2C(=O)N1c1ccccc1Cl)c1ccccc1 MOL15887
-CC(=NNS(=O)(=O)c1ccccc1)c1cccc[n+]1[O-] MOL15888
-CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cccc[n+]1[O-] MOL15889
-CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1cccc[n+]1[O-] MOL15890
-CC(=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc[n+]1[O-] MOL15891
-CC(=NNS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])n1 MOL15892
-CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc[n+]([O-])n1 MOL15893
-CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc[n+]([O-])n1 MOL15894
-CC(=NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc[n+]([O-])n1 MOL15895
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2ncccc21 MOL15896
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2ncccc21 MOL15897
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2nc(C)ccc21 MOL15898
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2nc(C)ccc21 MOL15899
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2ccncc21 MOL15900
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2ccncc21 MOL15901
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2cnccc21 MOL15902
-CC1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2cnccc21 MOL15903
-C1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Fe-]2[n+]2ncccc21 MOL15904
-C1=[N+]2[N-]C(N3CC4CCC(CC4)C3)=[S+][Cu-2]2[n+]2ncccc21 MOL15905
-c1ccc(NNC2=NN=C(c3ccccc3)CS2)cc1 MOL15906
-O=C1C=CC(=O)c2nc3c(cc21)CCC3 MOL15907
-COc1ccc2c(c1)C(=O)N1CCOC1C2C(=O)O MOL15908
-O=C([OH+][Mn+](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+])C(F)(F)F MOL15909
-C(=CP(c1ccccc1)c1ccccc1)P(C=CP(c1ccccc1)c1ccccc1)c1ccccc1 MOL15910
-[O+]#C[Ru+]123([O-])(C#[O+])C4=C1C1CC4C2=C13 MOL15911
-[O+]#C[Ru+2]123([O-])([O-])(C#[O+])C4=C1C1CC4C2=C13 MOL15912
-[Cl-].[O+]#C[Ru-4]12(C#[O+])(C#[O+])[PH](c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL15913
-[O+]#C[Cr]12(C#[O+])(C#[O+])[PH](c3ccccc3)(CC[AsH]1(c1ccccc1)c1ccccc1)CC[AsH]2(c1ccccc1)c1ccccc1 MOL15914
-[O+]#C[Mo]12(C#[O+])(C#[O+])[PH](c3ccccc3)(CC[AsH]1(c1ccccc1)c1ccccc1)CC[AsH]2(c1ccccc1)c1ccccc1 MOL15915
-CP(C)CC[PH]12CC[PH](C)(C)[W]1(C#[O+])(C#[O+])[PH](C)(C)CC2 MOL15916
-C[PH]1(C)CC[PH]2(c3ccccc3)CC[PH](c3ccccc3)(c3ccccc3)[Mo]12(C#[O+])(C#[O+])C#[O+] MOL15917
-OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3cc12 MOL15918
-OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3cc12 MOL15919
-Cc1cc2nc3c(C(OC4OC(CO)C(O)C(O)C4O)C(O)CO)nn(-c4ccc(F)cc4)c3nc2cc1C MOL15920
-Cc1ccc(-n2nc(C(OC3OC(CO)C(O)C(O)C3O)C(O)CO)c3nc4cc(C)c(C)cc4nc32)cc1 MOL15921
-OCC(O)C(O)C(O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 MOL15922
-OCC(O)C(O)C(O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 MOL15923
-OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 MOL15924
-OCC(O)C(O)C(O)c1nn(-c2ccc(F)cc2)c2nc3cc(Cl)c(Cl)cc3nc12 MOL15925
-OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)ccc3nc12 MOL15926
-Cc1cc2nc3c(C(OC4OC(CO)C(O)C(O)C4O)C(O)CO)nn(-c4ccccc4)c3nc2cc1C MOL15927
-OCC(O)C(OC1OC(CO)C(O)C(O)C1O)c1nn(-c2ccccc2)c2nc3cc(Cl)ccc3nc12 MOL15928
-OCC(O)C(O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 MOL15929
-c1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 MOL15930
-Cc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 MOL15931
-Cc1cccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)c1 MOL15932
-Clc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 MOL15933
-Clc1cccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)c1 MOL15934
-Brc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 MOL15935
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C(C)=O)c4C1)CCC5)C3)CCC2 MOL15936
-CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)CCC2 MOL15937
-CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCC4)CCC2 MOL15938
-CCOC(=O)c1cc2c(cn1)[nH]c1cccc(N)c12 MOL15939
-CCOC(=O)CCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21 MOL15940
-NCC1(N2CCOCC2)C2CCCC21CNc1ccccc1 MOL15941
-[N-]=[N+]=Nc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(N=[N+]=[N-])cc3)cc(OS(=O)(=O)c3ccc(N=[N+]=[N-])cc3)c2)cc1 MOL15942
-O=S1(=O)CSc2ccc3ccccc3c2-c2c1ccc1ccccc21 MOL15943
-CC(C)(C)C(=O)OC1COC2C(O)COC12 MOL15944
-C(=NNc1ccccc1)c1nc2ccccc2nc1C=NNc1ccccc1 MOL15945
-CC1Nc2ccccc2NC1C=C(C#N)C#N MOL15946
-N#CC(=Cc1ccnc2ccccc12)C(N)=C(C#N)C#N MOL15947
-CN(C)CC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15948
-CCN(CC)CC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15949
-O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15950
-O=C(CN1CCCCC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15951
-O=C(CN1CCN(c2ccccc2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15952
-O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15953
-CN(C)CCN1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15954
-CCN(CC)CCN1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15955
-c1cncc(C2c3[nH]c4ccccc4c3CCN2CCN2CCCCC2)c1 MOL15956
-c1ccc(N2CCN(CCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)cc1 MOL15957
-Clc1cccc(N2CCN(CCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)c1 MOL15958
-CN(C)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15959
-CCN(CC)CCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15960
-O=C(CCN1CCCCC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15961
-O=C(CCN1CCN(c2ccccc2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15962
-O=C(CCN1CCN(c2cccc(Cl)c2)CC1)N1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15963
-CN(C)CCCN1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15964
-CCN(CC)CCCN1CCc2c([nH]c3ccccc23)C1c1cccnc1 MOL15965
-c1cncc(C2c3[nH]c4ccccc4c3CCN2CCCN2CCCCC2)c1 MOL15966
-c1ccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)cc1 MOL15967
-Clc1cccc(N2CCN(CCCN3CCc4c([nH]c5ccccc45)C3c3cccnc3)CC2)c1 MOL15968
-CCCCCCCCCCCCOS(=O)(=O)O.[NaH] MOL15969
-NCCNCCCCCCCCCCCCOS(=O)(=O)O MOL15970
-Nc1ccc(C=Cc2ccc(N=Nc3ccc(C=Cc4ccc(N)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL15971
-C[N+](C)(C)C.Nc1ccc(C=Cc2ccc(N=Nc3ccc(C=Cc4ccc(N=Nc5ccc(C=Cc6ccc(N=Nc7ccc(C=Cc8ccc(N)cc8S(=O)(O)=[OH+])c(S(=O)(O)=[OH+])c7)cc6S(=O)(=O)[O-])c(S(=O)(O)=[OH+])c5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)cc2S(=O)(O)=[OH+])c(S(=O)(=O)[O-])c1 MOL15972
-O=S(=O)(O)c1ccc2c(c1)NN(c1ccc(C=Cc3ccc(N=Nc4ccc(C=Cc5ccc(N6Nc7ccc(S(=O)(=O)O)cc7N6)cc5S(=O)(=O)O)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c1)N2.[NaH] MOL15973
-O=C(O)c1ccccc1N=NNc1ccc(C=Cc2ccc(N=NNc3ccccc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL15974
-O=C1C=CC2OC(c3ccccc3)C(O)C2O1 MOL15975
-O=C1C=CC2OC(c3ccccc3)C(O)C2O1 MOL15976
-O=C1C=CC2OC(c3ccccc3)C(O)C2O1 MOL15977
-O=C1C=CC2OC(c3ccccc3)C(O)C2O1 MOL15978
-O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(F)cc1)C1C(=O)N(c2ccc(F)cc2)C(=O)C31 MOL15979
-O=C1C2C(C(=O)N1c1ccc(Br)cc1)C1([N+](=O)[O-])C=C3c4ccccc4N(c4ccccc4)C32C2C(=O)N(c3ccc(Br)cc3)C(=O)C21 MOL15980
-C=CC1(CC)C(=NO)C(CC)(CC)C(=O)N1O MOL15981
-CC=CC1(C)C(=NO)C(C)(CCC)C(=O)N1O MOL15982
-CC(C)=CC1(C)C(=NO)C(C)(CC(C)C)C(=O)N1O MOL15983
-O=C(C(=Cc1ccccc1)c1ccccc1)N1c2ccccc2CC1c1c[nH]c2ccccc12 MOL15984
-CC=C(C)C(=O)N1c2ccccc2CC1c1c(C)[nH]c2ccccc12 MOL15985
-O=C(C#Cc1ccccc1)N1c2ccccc2CC1c1c[nH]c2ccccc12 MOL15986
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C=CC=Cc1ccccc1 MOL15987
-Cc1ccc2c(C3Cc4ccccc4N3C(=O)C=CC(=O)O)c(C)[nH]c2c1 MOL15988
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C(C#N)=Cc1ccccc1 MOL15989
-CC1=Nc2ccccc2C12C(c1ccccc1)C(c1ccccc1)C(=O)N1c3ccccc3CC12 MOL15990
-O=C1C(c2ccccc2Cl)C2CC=CC2N1O MOL15991
-COc1ccc(C(=O)C2CCC(C(=O)O)C2)cc1 MOL15992
-Oc1nc(-c2nc(O)c3ccccc3n2)nc2ccccc12 MOL15993
-O=[N+]([O-])c1ccc2c(O)nc(-c3ccc(-c4nc(O)c5ccc([N+](=O)[O-])cc5n4)cc3)nc2c1 MOL15994
-O=C1c2ccc([N+](=O)[O-])cc2[N+](=O)[C-]1c1ccc([C-]2C(=O)c3ccc([N+](=O)[O-])cc3[N+]2=O)cc1 MOL15995
-CCCC[Sn]1(CCCC)OC(=O)c2cccnc2O1 MOL15996
-CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)c2cccnc2O1 MOL15997
-CCCC[Sn]1(CCCC)OCc2nc(C)ccc2O1 MOL15998
-CCCC[Sn]1(CCCC)ON=Cc2ccccc2O1 MOL15999
-CCCC[Sn]1(CCCC)OCC(CN2CCCC2)O1 MOL16000
-CCCC[Sn]1(CCCC)ON=C(c2ccccc2)C(c2ccccc2)O1 MOL16001
-CCCC[Sn]1(CCCC)OC(c2ccccn2)S(=O)(=O)O1 MOL16002
-CCCC[Sn]1(CCCC)OC(=O)c2cccnc2S1 MOL16003
-CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)c2cccnc2S1 MOL16004
-CCCC[Sn]1(CCCC)OCC(c2ccccn2)CO1 MOL16005
-CCCC[Sn]1(CCCC)OC(=O)c2cc(C)ccc2O1 MOL16006
-CCCC[Sn]1(CCCC)OCC(C)O1 MOL16007
-CCCC[Sn]1(CCCC)OCC(Cc2ccccc2)O1 MOL16008
-CCCC[Sn]1(CCCC)OCC(CN2CCCCC2)O1 MOL16009
-CCCC[Sn]1(CCCC)OCC(CN2CCOCC2)O1 MOL16010
-CCCC[Sn]1(CCCC)OCC(CN(C)Cc2ccccc2)O1 MOL16011
-CCCC[Sn]1(CCCC)OCC(C[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)O1 MOL16012
-CCCC[Sn](CCCC)(OC(=O)CN)OC(=O)CN MOL16013
-CCCC[Sn](CCCC)(OC(=O)C(N)CSC)OC(=O)C(N)CSC MOL16014
-CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C1CCC(=O)N1 MOL16015
-c1scc2c1COCCOCCOCCOCCOC2 MOL16016
-c1scc2c1COCCOCCOCCOCCOCCOC2 MOL16017
-c1scc2c1COCCOCCOCCOCCOCCOCCOC2 MOL16018
-c1scc2c1COCCOCCOCCOCc1cscc1COCCOCCOCCOC2 MOL16019
-CC(=O)OC1CC(C)C2CC2C2=C(C(O)OC2O)C1C(C)CCC=C(C)C MOL16020
-Nc1c(Br)c(=O)[nH]c(=O)n1COCCO MOL16021
-[N-]=[N+]=Nc1c(Br)c(=O)[nH]c(=O)n1COCCO MOL16022
-Cn1c2c(c3ccccc31)CCN(CCN1CCN(c3ccccc3)CC1)C2=O MOL16023
-Cn1c2c(c3ccccc31)CCN(CCN1CCN(c3cccc(Cl)c3)CC1)C2=O MOL16024
-Cl.Cn1c2c(c3ccccc31)CCN(CCCN1CCN(c3ccccc3)CC1)C2=O MOL16025
-Cn1c2c(c3ccccc31)CCN(CCCN1CCN(c3cccc(Cl)c3)CC1)C2=O MOL16026
-CN(C)CCCCN1CCc2c(n(C)c3ccccc23)C1=O MOL16027
-Cn1c2c(c3ccccc31)CCN(CCCCN1CCCCC1)C2=O MOL16028
-Cn1c2c(c3ccccc31)CCN(CCCCN1CCN(c3ccccc3)CC1)C2=O MOL16029
-Cn1c2c(c3ccccc31)CCN(CCCCN1CCN(c3cccc(Cl)c3)CC1)C2=O MOL16030
-Cn1c2c(c3ccccc31)CCN(CCCCN1CCc3c(n(C)c4ccccc34)C1=O)C2 MOL16031
-c1ccc2c3c([nH]c2c1)C1C2CCCCN2CN1CC3 MOL16032
-CCC1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21 MOL16033
-CCCC1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21 MOL16034
-CC(C)C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21 MOL16035
-c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1 MOL16036
-Clc1ccccc1C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21 MOL16037
-Clc1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1 MOL16038
-Clc1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1 MOL16039
-O=[N+]([O-])c1ccccc1C1N2CCCCC2C2c3[nH]c4ccccc4c3CCN21 MOL16040
-O=[N+]([O-])c1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1 MOL16041
-O=[N+]([O-])c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1 MOL16042
-CCN(CC)c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)cc1 MOL16043
-COc1cccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1OC MOL16044
-COc1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c(OC)c1 MOL16045
-c1ccc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)nc1 MOL16046
-c1cncc(C2N3CCCCC3C3c4[nH]c5ccccc5c4CCN32)c1 MOL16047
-Cc1ccc([N+]2=C[NH+](c3ccc(C)cc3)[Rh-4]345(O)[O+]=C(C(F)(F)F)[OH+][Rh-4]23(O)([OH+]C(C(F)(F)F)=[O+]4)[N+](c2ccc(C)cc2)=C[NH+]5c2ccc(C)cc2)cc1 MOL16048
-Cc1ccc(S(=O)(=O)C(CC(=O)N2CCCC2)C(=O)c2ccccc2)cc1 MOL16049
-COc1ccc2c(c1)CCc1c(C(C)=O)c3ccccc3n1C2 MOL16050
-COC(=O)C1=C(C(=O)OC)C2(C3C(SC)=CC(C)(C)CC3S1)N(Cc1ccccc1)CCN2Cc1ccccc1 MOL16051
-CSc1n[n+]2c(s1)SCCC2.[I-] MOL16052
-COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O MOL16053
-CC1c2cccc(O)c2C(=O)C2=C(O)C3(O)C(=O)C(C(N)=O)=C(O)C(N(C)C)C3C(O)C21.Cl MOL16054
-O=c1ccc2ccc(O)c(O)c2o1 MOL16055
-O=C1CCC2(C=Nc3ccccc32)C2Cc3ccccc3N12 MOL16056
-CCCS(=O)(=O)C(=C(c1ccc(Br)cc1)S(=O)(=O)CCC)c1ccc(Br)cc1 MOL16057
-CC(C)CS(=O)(=O)C(=C(c1ccc(Br)cc1)S(=O)(=O)CC(C)C)c1ccc(Br)cc1 MOL16058
-[O+]#C[Mo+2]12345(C#[O+])(C6=C1[C-]2C3=C64)[N+]1=Nc2ccccc2[NH+]15 MOL16059
-c1ccc([N+]2=N[NH+](c3ccccc3)[Mo+2]23456C2=C3[C-]4C5=C26)cc1 MOL16060
-[O+]#C[W+2]12345(C#[O+])([OH+][N+]1=C1CCCCC1)C1=C2[C-]3C4=C15 MOL16061
-CC(C)=CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15 MOL16062
-C=CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15 MOL16063
-CC(C)=[N+]1[OH+][W+2]12345(C#[O+])(C#[O+])C1=C2[C-]3C4=C15 MOL16064
-[O+]#C[V+]1234(C#[O+])(C#[O+])(C#[O+])C5=C1[C-]2C3=C54 MOL16065
-[O+]#C[Fe-3](C#[O+])(C#[O+])(C#[O+])[NH+]=C(C(F)(F)F)C(F)(F)F MOL16066
-CC(C)=N[W](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL16067
-[O+]#C[Mo+]1234(C#[O+])([PH](Oc5ccccc5)(Oc5ccccc5)Oc5ccccc5)C5=C1[C-]2C3=C54 MOL16068
-N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1)c1ccc(Cl)cc1 MOL16069
-COc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccc(Cl)cc3)CC2c2ccccc2)c1 MOL16070
-COc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccc(Cl)cc3)CC2c2ccccc2)cc1 MOL16071
-Cc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccc(Cl)cc3)CC2c2ccccc2)c1 MOL16072
-N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(c2ccccc2)C1)c1ccc(Cl)cc1 MOL16073
-N#CCCN(C1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(c2ccccc2)C1)c1ccccc1Cl MOL16074
-N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2)C(c2ccccc2)C1)c1ccccc1Cl MOL16075
-N#CCCN(C1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(c2ccccc2)C1)c1ccccc1Cl MOL16076
-COc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3Cl)CC2c2ccccc2)cc1 MOL16077
-Cc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3Cl)CC2c2ccccc2)c1 MOL16078
-Cc1ccccc1NC(=O)CC(=O)N1N=C(N(CCC#N)c2ccccc2Cl)CC1c1ccccc1 MOL16079
-C#CCOCn1cnc2c(O)ncnc21 MOL16080
-C#CCOCn1cnc2c(S)ncnc21 MOL16081
-C#CCOCn1cnc2c(Sc3c([N+](=O)[O-])ncn3C)ncnc21 MOL16082
-C=C(C(=C)N1N=NC2C3CCC(C3)C21)N1N=NC2C3CCC(C3)C21 MOL16083
-c1c2c(cc(-n3nnc4c3CCCCCC4)c1-n1nnc3c1CCCCCC3)CCCCCC2 MOL16084
-Cc1cc(CC(=O)NCCO)n(CCO)c(=O)c1 MOL16085
-NC1=c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2=NS(=O)(O)=N1 MOL16086
-COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)C(N)=NS(=O)(O)=N3)cc1 MOL16087
-CSCC(COC(C)=O)(CSC)c1ccncc1 MOL16088
-CCCCC=CCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O MOL16089
-CCCCCCCCCCCCCCNCC(OCC)OCC MOL16090
-CCOC(=O)c1[nH]c2c(cc(C(=O)C(F)(F)F)c3ccccc32)c1C(F)(F)F MOL16091
-CCOC(=O)c1c(C(F)(F)F)c2cc(C(=O)C(F)(F)F)c3ccccc3c2n1C MOL16092
-CCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL16093
-CCCCCCCCCC=C(c1cc(Br)cc(C(=O)O)c1O)c1cc(Br)cc(C(=O)O)c1O.N MOL16094
-CCCCCCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL16095
-CCCCCCCCCCCCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL16096
-CCCCCC=C(c1cc(Br)cc(C(=O)O)c1O)c1cc(Br)cc(C(=O)O)c1O.N MOL16097
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL16098
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C=CBr MOL16099
-[N-]=[N+]=NC1CC(n2cc(Cc3ccccc3)c(=N)[nH]c2=O)OC1CO MOL16100
-[N-]=[N+]=NC1CC(n2cc(Cc3ccccc3)c(=O)[nH]c2=O)OC1COC(=O)CCC(=O)O MOL16101
-C=CC1C(=C)CCC2C1CCC1C(C)(C(=O)O)CCCC21C MOL16102
-[ClH2+].c1nc2[nH]cnc2c(=[S+][Fe-2]([S+]=c2[nH]cnc3[nH]cnc23)([S+]=c2[nH]cnc3[nH]cnc23)[S+]=c2[nH]cnc3[nH]cnc23)[nH]1 MOL16103
-[ClH2+].c1nc2[nH]cnc2c(=[S+][Co-2]([S+]=c2[nH]cnc3[nH]cnc23)([S+]=c2[nH]cnc3[nH]cnc23)[S+]=c2[nH]cnc3[nH]cnc23)[nH]1 MOL16104
-[ClH+][Co-4]12([ClH+])([O+]=C3N=CNc4[n-][n+]1cc43)[O+]=C1N=CNc3[n-][n+]2cc31 MOL16105
-O=S1(=O)[OH+][Cu+2]23([O+]=C4NC=Nc5[n-][n+]2cc54)([O+]=C2NC=Nc4[n-][n+]3cc42)[OH+]1 MOL16106
-O=S1(=O)[OH+][Zn-4]23([O+]=C4NC=Nc5[n-][n+]2cc54)([O+]=C2NC=Nc4[n-][n+]3cc42)[OH+]1 MOL16107
-O=S1(=O)[OH+][Cu-5]2(O)(O)([O+]=C3N=CNc4ncn2c43)[OH+]1 MOL16108
-O=S1(=O)[OH+][Zn-4]2(O)(O)([O+]=C3N=CNc4ncn2c43)[OH+]1 MOL16109
-C1=NC2=[S+][Pt-2]3([S+]=C4NC=NC5=C4[NH+]3C=N5)[NH+]3C=NC(=C23)N1 MOL16110
-CCCCOP(=O)(OCCCC)N1CCCC1C(=O)O MOL16111
-CC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)CC1C MOL16112
-CC(=O)OCC12CC(OC(C)=O)C(C)=CC1OC1C(O)C(O)C2(C)C12CO2 MOL16113
-CNCc1cc(OC)ccc1-c1ccc(OC)c(OC)c1OC.Cl MOL16114
-NC(c1ccccc1)P(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1.O=C(O)C(F)(F)F MOL16115
-CC1CC(O)C2(O)C13CC(OC(=O)C3O)C1(O)C(=O)OCC12C MOL16116
-CC1C2(O)CC34CC(=O)OC3(CC(O)C4C)C1(C)CO2 MOL16117
-c1ccc(C2=NOC3COc4ccccc4OCC23)cc1 MOL16118
-Fc1ccc(C2=NOC3COC4C=CC=CC4OCC23)cc1 MOL16119
-COc1ccc(C2=NOC3COC4C=CC=CC4OCC23)cc1 MOL16120
-Clc1cccc(C2=NOC3COC4C=CC=CC4OCC23)c1 MOL16121
-O=[N+]([O-])c1ccc(C2=NOC3COC4C=CC=CC4OCC23)cc1 MOL16122
-Cc1c(N2CCN(C)CC2)nc2ccc(Cl)cc2c1-c1ccccc1 MOL16123
-Cc1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1 MOL16124
-CCC(OCc1ccccc1)C(C)=CCC(C)CO MOL16125
-COC(=O)C1(CCSc2ccccc2)CCCC1=O MOL16126
-O=C1CCCC1(CCSc1ccccc1)C(CCCl)Sc1ccccc1 MOL16127
-COC(=O)N1CCC(Sc2ccccc2)C2(CCSc3ccccc3)CCC=C12 MOL16128
-CCC(OCc1ccccc1)C(C)=CCC(C)C=C(CC1(C)OC(=O)N2CCCC21)[Si](C)(C)C MOL16129
-CCOC(=O)C#CCCOC1CCCCO1 MOL16130
-CCOC(=O)C=C(CCOC1CCCCO1)[Si](C)(C)c1ccccc1 MOL16131
-C[Si](C)(C(=CCOCc1ccccc1)CCOC1CCCCO1)c1ccccc1 MOL16132
-COC(=O)N(C)C(C#N)CCc1ccccc1 MOL16133
-N#CC(C=Cc1ccccc1)NCCc1ccccc1 MOL16134
-COC(=O)N(CCc1ccccc1)C(C)(C)C#N MOL16135
-C[Si](C)(C)C=CCCNC(C#N)c1ccccc1 MOL16136
-CC1=C(C2CC(C)CC(OCOCc3ccccc3)O2)C(C)(C)CCC1 MOL16137
-CC1(C)C(=O)N2CCSC21 MOL16138
-CCC=CC(O[Si](C)(C)C(C)(C)C)C1CC2OC(=O)CCCC2O1 MOL16139
-CCCCN1C(=O)C(NC(C)=O)C1COC(C)(C)C MOL16140
-CC(=O)NC1C(=O)N(Cc2ccccc2)C1COC(C)(C)C MOL16141
-COCCN1C(=O)C(NC(C)=O)C1COC(C)(C)C MOL16142
-COCCN1C(=O)C(NC(C)=O)C1COC(C)(C)C MOL16143
-CC(=O)NC1C(=O)N(c2ccccc2)C1c1ccccc1 MOL16144
-CCCCN1C(=O)C(O)(NC(C)=O)C1COC(C)(C)C MOL16145
-CC(=O)NC1C(=O)N(C(COCc2ccccc2)c2ccccc2)C1COC(C)(C)C MOL16146
-CC(C)(C)OCC1N(C(COCc2ccccc2)c2ccccc2)C(=O)C1(C)C MOL16147
-C=CC1=CC2(O[Si](C(C)C)(C(C)C)C(C)C)CCC1C(COCc1ccccc1)C2C(=O)O MOL16148
-O=C1CCCC12CCOC2=O MOL16149
-COC(=O)N1CCC(Sc2ccccc2)C2(CCOC(=O)c3ccccc3)CCC(O)C12 MOL16150
-CC(C)(C)C(=O)Nc1ccccc1C(=O)C12CCC3(CCOCc4ccccc4)C=CCN(C(=O)O1)C32 MOL16151
-COC(=O)N1CC=CC2(CCOCc3ccccc3)CCC(O)(c3ccccc3NC(=O)C(C)(C)C)C(=O)C12 MOL16152
-CN(C(=O)C1=CCCCCC1)c1ccccc1Br MOL16153
-COC(=O)NCC1OCc2cc3c(cc2C12C=CCCC2)OCO3 MOL16154
-COC(=O)NCC1OCc2cc3c(cc2C12CC=CCC2)OCO3 MOL16155
-CN1C(=O)C2(C=CCCC2)c2ccccc21 MOL16156
-COc1ccc(Br)c(CCC(CO)C2=CCC3(CC2)OCCO3)c1 MOL16157
-COc1ccc2c(c1)CCC1CC3CC21C=CC3=O MOL16158
-COC(=O)NCC(OC(=O)c1cc2c(cc1I)OCO2)C1=CCCCC1 MOL16159
-COC(=O)C1CC=CCCC1=O MOL16160
-CC(C)[Si]([Se]c1ccccc1)(C(C)C)C(C)C MOL16161
-COC(=O)C(CCc1cc(OC)ccc1I)C1=CCC2(CC1)OCCO2 MOL16162
-CC(C)(C)OC(=O)N1CCCCC(CCCC#Cc2ccccc2)C1=O MOL16163
-O=C1NCCCCC1CCCC#Cc1ccccc1 MOL16164
-CCOC1C(CCC=Cc2ccccc2)CCCCN1C(=O)OC(C)(C)C MOL16165
-CC#CCCC1CCCCN(C(=O)OC(C)(C)C)C1OCC MOL16166
-COC(=O)N1CCCCC(CCC#CC[Si](C)(C)C)C1=O MOL16167
-CC#CCCC1CCCCNC1=O MOL16168
-O=C1OC(c2ccccc2)=C2CCC3CCCCN1C23 MOL16169
-O=S1C=C(C2=COCCC2)OC1 MOL16170
-CC1=C2OCS(=O)C2C2C(=O)N(c3ccccc3)C(=O)C2C1 MOL16171
-COC1CCC2=CCC3C(=O)N(c4ccccc4)C(=O)C3C21 MOL16172
-C=C(Br)CN1CCC2(c3ccccc3)C(O)C([Se]c3ccccc3)CCC12 MOL16173
-C=C(Br)CN1CCC2(c3ccccc3)C(=O)C([Se]c3ccccc3)CCC12 MOL16174
-O=C1C2CC=C3CCS(=O)C3C2C(=O)N1c1ccccc1 MOL16175
-O=C(Nc1ccccc1)C1CC=C2CCC3OC(=O)C1C23 MOL16176
-CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C3C(C(=O)Nc4ccccc4)=C(C)NC(C)=C3C(=O)Nc3ccccc3)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 MOL16177
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16178
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C3C(C(=O)Nc4ccccc4C)=CNC=C3C(=O)Nc3ccccc3C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16179
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2O)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16180
-CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2C)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16181
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C3C(C(=O)Nc4ccccc4C)=C(C)NC(C)=C3C(=O)Nc3ccccc3C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16182
-CC1=C(C(=O)NCc2ccccc2)C(C=Cc2ccccc2)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16183
-CC(CCn1[nH]c(=O)ccc1=O)=NNC(=N)N MOL16184
-O=c1c(Cl)c(Cl)cnn1CCc1ccncc1 MOL16185
-O=C(CCn1[nH]c(=O)c(Cl)c(Cl)c1=O)NOCCCc1ccccc1 MOL16186
-CC(CCn1[nH]c(=O)ccc1=O)=NO.Cl MOL16187
-CC(=O)CCn1ncc(Cl)c(Cl)c1=O MOL16188
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)NC(C)=C2C(=O)Nc2ccccc2OC)cc1 MOL16189
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccccc1[N+](=O)[O-] MOL16190
-CC(CCn1[nH]c(=O)ccc1=O)=NOCCCc1ccccc1 MOL16191
-CC1=C(C(=O)NCc2ccccc2)C(c2ccc(C3C(C(=O)NCc4ccccc4)=C(C)NC(C)=C3C(=O)NCc3ccccc3)cc2)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16192
-CC(CCn1[nH]c(=O)ccc1=O)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL16193
-CC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL16194
-O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nnc(-c3cccnc3)n12 MOL16195
-CCOC(=O)Cc1csc(Nc2ccc(OCC)cc2)n1 MOL16196
-CCOC(=O)C1SC(=Nc2ccc(Cl)cc2)N=C1C MOL16197
-N#CCCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL16198
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2C)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16199
-CCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)cc1 MOL16200
-CCOC(=O)C1Sc2ccccc2N=C1C MOL16201
-CCOC(=O)C1SC(=NC(=N)N[N+](=O)[O-])N=C1C MOL16202
-CCOC(=O)C1SC(=Nc2ccccc2)N=C1C MOL16203
-CCOC(=O)c1sc(Nc2cc(Cl)ccc2Cl)nc1C MOL16204
-COc1cc(C2C(C(=O)Nc3ccccc3)=C(C)NC(C)=C2C(=O)Nc2ccccc2)ccc1O MOL16205
-CCOC(=O)C1SC(=Nc2cccc(Cl)c2C)N=C1C MOL16206
-CCOC(=O)C1SC(=Nc2ccc(OC)c(OC)c2)N=C1C MOL16207
-CCOC(=O)CC1=NC(=Nc2cc(Cl)ccc2Cl)SC1 MOL16208
-NC(=O)NNC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL16209
-CCOC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL16210
-CC1=C(C(=O)NCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16211
-O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 MOL16212
-CC1=C(C(=O)Nc2ccccc2C)C(C=Cc2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16213
-CCOC(=O)CC1=CSC2=NCCN12 MOL16214
-Cc1cc(Cl)ccc1NC1=NC(=O)C(CC(=O)Nc2cccc(Cl)c2)S1 MOL16215
-CCOC(=O)CC1=NC(=NC(=N)N[N+](=O)[O-])SC1 MOL16216
-O=c1c(=Cc2c(O)ccc3ccccc23)sc2nc3ccccc3n12 MOL16217
-O=c1c(=Cc2ccc(Cl)cc2Cl)sc2nc3ccccc3n12 MOL16218
-C=CCN=C1N=C(CC(=O)OCC)CS1 MOL16219
-CC(CCn1[nH]c(=O)ccc1=O)=NNC(=O)C(N)=O MOL16220
-COC(=O)C(=O)CC(=O)CCn1[nH]c(=O)c(Cl)c(Cl)c1=O MOL16221
-CN(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1 MOL16222
-O=c1c(=Cc2cccc3ccccc23)sc2nc3ccccc3n12 MOL16223
-CC1=C(C(=O)NCc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16224
-CCOC(=O)C1SC(=Nc2ccc(Cl)cc2Cl)N=C1C MOL16225
-CCOC(=O)CC1=Nc2ccccc2SC1 MOL16226
-O=C1C(=Cc2ccc3c(c2)OCO3)SC2C=Nc3ccccc3N12 MOL16227
-CCOC(=O)C1SC(=Nc2ccc(Cl)cc2C)N=C1C MOL16228
-O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nc3ccccc3n12 MOL16229
-CCOC(=O)Cc1csc(Nc2ccccc2[N+](=O)[O-])n1 MOL16230
-CC1=C(C(=O)Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2)=C(C)N1 MOL16231
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL16232
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL16233
-O=c1[nH]c(=O)n(C2CCC(COP(=O)(O)O)O2)cc1Cc1ccccc1 MOL16234
-CC1C=CC(=O)C(n2cc(F)c(=O)[nH]c2=O)O1 MOL16235
-Cc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3cccc(C)c3)CC2c2ccccc2)cc1 MOL16236
-COc1ccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3cccc(C)c3)CC2c2ccccc2)cc1 MOL16237
-Cc1ccccc1N(CCC#N)C1=NN(C(=O)CC(=O)Nc2ccccc2)C(c2ccccc2)C1 MOL16238
-Cc1ccccc1N(CCC#N)C1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)C1 MOL16239
-COc1cccc(NC(=O)CC(=O)N2N=C(N(CCC#N)c3ccccc3C)CC2c2ccccc2)c1 MOL16240
-N#CCCN(CCC#N)c1ccc(C=C2N=C(COc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 MOL16241
-Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2COc2ccccc2)cc1 MOL16242
-COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2COc2ccccc2)cc1 MOL16243
-COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC MOL16244
-CC=C1C(C=c2[nH]c(=Cc3[nH]c(C=C4NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)=NC(=O)C1C MOL16245
-COc1ccc(N2C(=O)C(N=[N+]=[N-])C2C2COC(C)(C)O2)cc1 MOL16246
-c1ccc(P(C2=C(P(c3ccccc3)c3ccccc3)[Pt]23C(P(c2ccccc2)c2ccccc2)=C3P(c2ccccc2)c2ccccc2)c2ccccc2)cc1 MOL16247
-[O+]#C[Cr](C#[O+])(C#[O+])C#[O+].c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1 MOL16248
-[CH2-][Mn+]12(C#[O+])(C#[O+])[PH](CCP(c3ccccc3)c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16249
-[O+]#C[Cr]12(C#[O+])(C#[O+])[PH](CCP(c3ccccc3)c3ccccc3)(c3ccccc3)CC[PH]1(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16250
-[O+]#C[Mo]12(C#[O+])(C#[O+])[PH](CCP(c3ccccc3)c3ccccc3)(c3ccccc3)CC[PH]1(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16251
-O=c1cc2n(c(=O)[nH]1)C1OC(C2CCO)C(O)C1O MOL16252
-O=c1cc2n(c(=O)[nH]1)C1OC(C2CCO)C(O)C1O MOL16253
-O=C1NC(=O)C2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1 MOL16254
-O=C1C2C(C(=O)N1O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1 MOL16255
-O=C1C2C(C(=O)N1Cc1ccccc1)N(Cc1ccccc1)C(=O)N2Cc1ccccc1 MOL16256
-O=C1C2C(C(=O)N1OS(=O)(=O)c1ccccc1)N(Cc1ccccc1)C(=O)N2Cc1ccccc1 MOL16257
-O=C1NC2C(=O)N(Cc3ccccc3)C(=O)C2N1 MOL16258
-Cc1nc(-c2ccccc2)cc2c1c(=O)oc1ccccc12 MOL16259
-Cc1ccc(C2=NN(C)COC2C(F)(F)F)cc1 MOL16260
-CCOC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3 MOL16261
-CC1CCC2C(C)COC3OC4(C)CCC1C32OO4 MOL16262
-CCCCC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3 MOL16263
-[O+]#C[Mo](C#[O+])(C#[O+])C#[O+].c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1 MOL16264
-O=C([OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+])C(F)(F)C(F)(F)F MOL16265
-O=C([OH+][Mn+](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+])C(F)(F)C(F)(F)F MOL16266
-[O+]#[N+][Mo+2]12345([I-])(C6=C1[C-]2C3=C64)[N+](c1ccccc1)=N[NH+]5c1ccccc1 MOL16267
-CN(C)P(CCP(CCP(N(C)C)N(C)C)c1ccccc1)N(C)C MOL16268
-C=CP(CCP(CCP(C=C)N(CC)CC)c1ccccc1)N(CC)CC MOL16269
-CN(C)P(=S)(CCPc1ccccc1)N(C)C MOL16270
-CN(C)P(CCPc1ccccc1)N(C)C MOL16271
-CC(C)c1cc2c3c(c1O)OC(=O)CC3(C)C1C(OC(=O)C1(C)C)C2=O MOL16272
-O=C1C2CC(O)C3C(=O)C4CC(O)C1C4C23 MOL16273
-COC=C1CCC2c3c(c4ccccc4n3C)CC1N2Cc1ccccc1 MOL16274
-CC1c2c(n(C)c3ccccc23)C2CCC3(CO3)C1N2Cc1ccccc1 MOL16275
-CCCC(=O)OCC1(Cl)CCC2c3c(c4ccccc4n3C)CC1N2Cc1ccccc1 MOL16276
-CCCC(=O)OCC1=CCC2c3c(c4ccccc4n3C)CC1N2Cc1ccccc1 MOL16277
-Cl.Fc1cccc2c1[nH]c1c2ncc2[nH]c3ccccc3c21 MOL16278
-O=C(c1ccccc1)N1CC(=NNc2ccc(Cl)cc2)c2c([nH]c3ccccc23)C1 MOL16279
-CCOC(=O)C1(C(=O)OCC)Cc2c([nH]c3ccccc23)CN1C(=O)c1ccccc1 MOL16280
-COC(=O)C1=C(O)C(C(=O)OC)C2(C3CC=CC3)C(C(=O)OC)=C(O)C(C(=O)OC)C12 MOL16281
-O=C1CC2CC(=O)CC2(C2CC=CC2)C1 MOL16282
-[O-]c1c2c(nn1-c1ccc(Cl)cc1)c1ccccc1c[n+]2Cc1ccccc1 MOL16283
-Clc1c[nH]c2cccc3nccc1c32 MOL16284
-COC(=O)C1=C(c2ccccc2)C(O)(c2ccccc2)C(C(=O)OC)C1=O MOL16285
-O=C1CC23CC(=O)CC2(C1)c1ccccc1C3=O MOL16286
-COC(=O)C1=C2c3ccccc3-c3ccccc3C2(O)C(C(=O)OC)C1=O MOL16287
-Cc1ccc2[nH]c3c(ncc4[nH]c5ccccc5c43)c2c1 MOL16288
-CCOC(=O)C(C(=O)OCC)P(=S)(S)c1ccccc1.[NaH] MOL16289
-O=C(O)C(C(=O)O)P(=S)(S)c1ccccc1.[NaH] MOL16290
-CCOC(=O)CP(=S)(S)c1ccccc1.[NaH] MOL16291
-O=C(O)CP(=S)(S)c1ccccc1.[NaH] MOL16292
-CCOC(=O)C(=CC=CNCCc1c[nH]c2ccccc12)C(=O)OCC MOL16293
-CCOC=CC=C(C(=O)OCC)C(=O)OCC MOL16294
-CCOC(=O)C(=CCC1NCCc2c1[nH]c1ccccc21)C(=O)OCC MOL16295
-CC=C(C1CC2c3[nH]c4ccccc4c3CCN2C(=O)C1C(=O)OCC)[Si](C)(C)C MOL16296
-CC=C(C1CC2c3[nH]c4ccccc4c3CCN2C(=O)C1C(=O)OCC)[Si](C)(C)C MOL16297
-CC=C(C1CC(=O)N2CCc3c([nH]c4ccccc34)C2C1)[Si](C)(C)C MOL16298
-CC=C(C1CC(=O)N2CCc3c([nH]c4ccccc34)C2C1)[Si](C)(C)C MOL16299
-CCOC(=O)C(=CC=CNC(Cc1c[nH]c2ccccc12)C(N)=O)C(=O)OCC MOL16300
-CCOC(=O)C(=CCC1NC(C(N)=O)Cc2c1[nH]c1ccccc21)C(=O)OCC MOL16301
-CCOC(=O)C(CCC1NC(C(N)=O)Cc2c1[nH]c1ccccc21)C(=O)OCC MOL16302
-CCOC(=O)C(CCC1c2[nH]c3ccccc3c2CC(C#N)N1C(=O)C(F)(F)F)C(=O)OCC MOL16303
-CCOC(=O)C1CCC2c3[nH]c4ccccc4c3CCN2C1=O MOL16304
-CCOC(=O)C1(Sc2ccccc2)CCC2c3[nH]c4ccccc4c3CCN2C1=O MOL16305
-CCOC(=O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1=O MOL16306
-C=C(CCCC(C)OCOCCOC)[Si](C)(C)C MOL16307
-C=C(CCCC(C)OC(C)OCC)[Si](C)(C)C MOL16308
-C=C(CCCCCOCOCCOC)[Si](C)(C)C MOL16309
-CC=C(CCCCCOCOCCOC)[Si](C)(C)C MOL16310
-C=C(CCCC(C)OC(=O)NC(C)c1cccc2ccccc12)[Si](C)(C)C MOL16311
-CC1CCC=C([Si](C)(C)C)CC(C)O1 MOL16312
-CC(=O)CCCC(CC(C)O)[Si](C)(C)C MOL16313
-C=CC(CCC(C)O)[Si](C)(C)C MOL16314
-C=CC(CCC(C)OC(CCC)OCC)[Si](C)(C)C MOL16315
-COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F MOL16316
-COC(=O)CP(=O)(OC)OCC(F)(F)F MOL16317
-CCCC=C(Br)[Si](C)(C)C MOL16318
-CCCCC=C(CCCBr)[Si](C)(C)C MOL16319
-CCCCC=C(CCCNC=O)[Si](C)(C)C MOL16320
-CCCCC=C(CCCNCCCC)[Si](C)(C)C MOL16321
-CCCCC=C(CCCNCCCC)[Si](C)(C)C MOL16322
-C=CCCN(C=O)CCCC(=CCCCC)[Si](C)(C)C MOL16323
-C[Si](C)(C)C=CCCNC=O MOL16324
-C=CCCNCCC=C[Si](C)(C)C MOL16325
-CCCCC=C(CCCNCCc1ccccc1)[Si](C)(C)C MOL16326
-C[Si](C)(C)C=CCCNCc1ccccc1 MOL16327
-C=C(C)CCNCCC=C[Si](C)(C)C MOL16328
-CCCCN(C=O)CCc1ccccc1 MOL16329
-COC=CCCCO MOL16330
-COC=CCCCNCc1ccccc1 MOL16331
-COC=CCCCN(CC#N)Cc1ccccc1 MOL16332
-COC=CCCCN(C1CCCCC1)C(C#N)c1ccccc1 MOL16333
-CCCCN(CCCC=COC)C(C#N)c1ccccc1 MOL16334
-CC1(C)NNC(=S)NC1=O MOL16335
-C[Si](C)(C)c1ccc(CC2(Cc3ccc([Si](C)(C)C)cc3)CCNC2)cc1 MOL16336
-O=C1CCC(c2nc3ccccc3o2)C(=O)N1 MOL16337
-O=C1CCC(c2nc3cc(Cl)ccc3o2)C(=O)N1 MOL16338
-C=CCN1C(=O)CC(=C2CCC(=O)N2CC=C)C1=O MOL16339
-O=C1CC(=Cc2ccc(C=C3CC(=O)N(c4cccc(Br)c4)C3=O)cc2)C(=O)N1c1cccc(Br)c1 MOL16340
-CN1C(=O)CC(c2cccc(C3CC(=O)N(C)C3=O)n2)C1=O MOL16341
-C=CCNC(=O)C=CC(=O)O MOL16342
-CC(C)(C)c1cc2ccc(C(N)=O)cc2c(O)n1 MOL16343
-CC(C)(C)C1(O)Cc2ccccc2C(=O)O1 MOL16344
-CC1=Nc2ccccc2S(=O)(O)=N1 MOL16345
-COc1ccc2c(c1)C=C(C(C)(C)C)N=S2(=O)O MOL16346
-Cc1ccc(Oc2ccc(C(=O)c3cccc(C(=O)c4ccc(Oc5ccc(C)cc5)cc4)n3)cc2)cc1 MOL16347
-O=C1CCC(=O)N2CCCCN12 MOL16348
-Cc1nc2ccccc2c(=O)n1-c1ccccc1F MOL16349
-CC(C)(C)C(=O)C(c1ccc(-c2cscn2)cc1)c1ccc(-c2cscn2)cc1 MOL16350
-OCC[N+]12CCCN1CCC2.[Br-] MOL16351
-Cc1nc2ccccc2c(=O)n1-c1ccccc1I MOL16352
-O=C(C=C1NC(=O)c2ccccc2N1)c1ccncc1 MOL16353
-C#Cc1cccc(N2C(=O)CC(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)c1 MOL16354
-N#CC(c1ccccn1)c1nc2ccccc2[nH]1 MOL16355
-C#Cc1ccccc1N1C(=O)C=CC1=O MOL16356
-C#Cc1cccc(N2C(=O)CCC2=O)c1 MOL16357
-N#CC(c1ccc(Cl)cc1)c1cccc(Cl)n1 MOL16358
-N#CC(c1ccc(Cl)cc1)c1cccc(C(C#N)c2ccc(Cl)cc2)n1 MOL16359
-COc1ccc(-c2ccc(CC(=O)O)cc2)cc1OC MOL16360
-O=C1OC(Cc2ccccc2)(N2CCCC2=O)C1c1ccccc1 MOL16361
-COc1ccc(CC2(Cc3ccc(OC)cc3)CCOC2=O)cc1 MOL16362
-O=C1OCCC1(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 MOL16363
-O=C1OCCC1C(O)C1c2ccccc2-c2ccccc21 MOL16364
-Nc1ccccc1C(O)=C1CCOC1=O MOL16365
-CC(C)(C)C1=Cc2cc3cc(C(C)(C)C)nc(O)c3cc2S(=O)(O)=N1 MOL16366
-CC(C)(C)C(=O)Cc1cc2c(cc1C(=O)O)S(=O)(O)=NC(C(C)(C)C)=C2 MOL16367
-O=C1CCN2C(=O)CCN12 MOL16368
-CCOC1OC(=O)C2C(c3ccccc3)=NOC12 MOL16369
-CCOC1OC(=O)C2C(c3ccc(Cl)cc3)=NOC12 MOL16370
-CCOC1OC(=O)C2C(c3ccc(F)cc3)=NOC12 MOL16371
-CCOC1OC(=O)C2C(c3ccccc3Cl)=NOC12 MOL16372
-CCOC1OC(=O)C2C(c3ccc(Cl)cc3Cl)=NOC12 MOL16373
-CCOC1OC(=O)C2C(c3ccc([N+](=O)[O-])cc3)=NOC12 MOL16374
-O=C1NN(c2ccccc2)C2CCCCC12 MOL16375
-COC(=O)N1CC2CC=CC(C2)c2ccccc21 MOL16376
-COC(=O)N1CC2CCCC(C2)c2ccccc21 MOL16377
-COC(=O)N(CC1C=CCCC1)c1ccccc1I MOL16378
-CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C2CC1(OS(=O)(=O)C(F)(F)F)C1C(=O)N(c3ccccc3)C(=O)C21 MOL16379
-COc1ccc2c(c1)CCC1CC3CC21C=CC3=O MOL16380
-CC1=C(O[Si](C(C)C)(C(C)C)C(C)C)C2CC1C1C(=O)N(c3ccccc3)C(=O)C21 MOL16381
-CC1=C(OCCCl)C2CC1C1C(=O)N(c3ccccc3)C(=O)C21 MOL16382
-COC(=O)NCC(OCc1cc2c(cc1I)OCO2)C1=CCCCC1 MOL16383
-COc1ccc(I)c(CCC(CO)C2=CCC3(CC2)OCCO3)c1 MOL16384
-COc1ccc(I)c(CCC(C(=O)O)C2=CCC3(CC2)OCCO3)c1.[LiH] MOL16385
-CC1CC2OC(=O)C(C)C2CC2(C)C(O)CC(O)C12 MOL16386
-C=C1C(=O)OC2CC(C)C3C(O)CC(O)C3(C)CC12 MOL16387
-C=C1C(=O)OC2CC(C)C3C(O)CC(O)C3(C)CC12 MOL16388
-C=C1C(=O)OC2CC(C)C3C(OC(C)=O)CC(OC(C)=O)C3(C)CC12 MOL16389
-CC(=O)OC1CC(OC(C)=O)C2(C)CC3C(CC(C)C12)OC(=O)C3C MOL16390
-CN(CCc1ccccn1)[N+]([O-])=NO.CNCCc1ccccn1 MOL16391
-NCCCNCCCCN(CCCN)[N+](=O)[N-]O MOL16392
-NCCCCN(CCCN)[N+](=O)[N-]O MOL16393
-CNCCCCN(C)[N+](=O)[N-]O MOL16394
-CCCN(CCCN)[N+](=O)[N-]O MOL16395
-O=[N+]([N-][O-])C1CCCCC1=[N+]1CCOCC1 MOL16396
-Cc1cc(CC(O)c2ccc(Cl)c(Cl)c2)nc(O)n1 MOL16397
-O=C(C=C1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1)c1ccncc1 MOL16398
-O=C1C(c2cnc3ccccc3n2)=C(O)c2ccccc21 MOL16399
-O=C1OC(=O)C2C1C1C(c3ccccc3)=C(c3ccccc3)C2(O)C2C(=O)OC(=O)C12 MOL16400
-O=C1c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(=O)N1c1cccc(Br)c1 MOL16401
-C#Cc1cccc(NC(=O)C=CC(=O)O)c1 MOL16402
-O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(-c3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1 MOL16403
-O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(Sc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1 MOL16404
-O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccc(Cc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1 MOL16405
-CN(c1ccc(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1)S(C)(=O)=O MOL16406
-O=C(CC(=O)c1ccccc1)CC(O)(c1ccccc1)c1ccccc1 MOL16407
-O=C(C=CCC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1Cl MOL16408
-O=C1NCCCCC1CCC=Cc1ccccc1 MOL16409
-CC=CCCC1CCCCN(C(=O)OC(C)(C)C)C1OCC MOL16410
-CC=CCCC1CCCCN(C(=O)OC(C)(C)C)C1OCC MOL16411
-CC#CCCC1(C)CCCCN(C(=O)OC(C)C)C1OCC MOL16412
-CC#CCCC1CCCCN(C(=O)OC)C1OCC MOL16413
-CC#CCCC1(CC)CCCN(C(=O)OC(C)C)C1OCC MOL16414
-COC(C=Cc1ccccc1)=C[SH](C)(=O)N(C)C MOL16415
-C=CCCC(=O)CC(=O)OC MOL16416
-C=CCCC(=O)C(Cc1ccccc1OC)C(=O)OC MOL16417
-O=C1CN(CC2=CC3(CC2)CCC2=C3CCCC2=O)C(=O)N1 MOL16418
-O=S(=O)(c1ccccc1)C1(Sc2ccccc2)CC(Br)C(Br)C1 MOL16419
-O=S(=O)(c1ccccc1)C1(Sc2ccccc2)CC=CC1 MOL16420
-O=S(=O)(CSc1ccccc1)c1ccccc1 MOL16421
-OC1CC2CC(OCc3ccccc3)CC2C1O MOL16422
-C[Si](C)(C)OC1(C2=CCCC2)CCCC1CC#N MOL16423
-COCS(=O)(=O)c1ccccc1 MOL16424
-CCCC[Sn](CCCC)(CCCC)C(=C[Si](C)(C)c1ccccc1)c1ccc2c(c1)OCO2 MOL16425
-CN(CC#N)C1CCCC1(O)C#C[Si](C)(C)c1ccccc1 MOL16426
-CN(CC#N)C1CCCC1(O)C#C[Si](C)(C)c1ccccc1 MOL16427
-C=CC(C)(O)CN(C=O)Cc1ccccc1 MOL16428
-C=CC(C)(O)CNc1ccccc1 MOL16429
-CN(CC#N)C1CCCC1(O)C=C[Si](C)(C)C MOL16430
-CN(CC#N)C1CCCC1(O)C=C[Si](C)(C)C MOL16431
-C=CC1(C)CN(Cc2ccccc2)C(C(=O)OCC)O1 MOL16432
-C=C(CCC=CCO)[Si](C)(C)C MOL16433
-C=C(CCC(O)C(Cl)CO)[Si](C)(C)C MOL16434
-C=C(CCC(Cl)C(O)CO)[Si](C)(C)C MOL16435
-C=C(CCC(Cl)C1COC(C=CC)O1)[Si](C)(C)C MOL16436
-C=C(CCC(Cl)C(COC)OC(CCC)OCC)[Si](C)(C)C MOL16437
-C=C(CCC(Cl)C(COS(=O)(=O)c1ccc(C)cc1)OC(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCC)[Si](C)(C)C MOL16438
-Cc1ccc(S(=O)(=O)OCC2OC(CCCO)CC([Si](C)(C)C)=CCC2Cl)cc1 MOL16439
-CCOC#CCCOCc1ccccc1 MOL16440
-CCCCC=C(C(O)C1(C)OC(=O)N2CCCC21)[Si](C)(C)C MOL16441
-CCCCC=C(C1OC(=O)N2CCCC2C1(C)C)[Si](C)(C)C MOL16442
-CC1(CI)OC(=O)N2CCCC21 MOL16443
-CC1(CI)OC(=O)N2CCCC21 MOL16444
-CC1(CO[N+](=O)[O-])OC(=O)N2CCCC21 MOL16445
-CC1(CO)OC(=O)N2CCCC21 MOL16446
-CC1=NN(c2ccccc2)C(=O)C12C(c1ccccc1)C2(C#N)C#N MOL16447
-CCCOc1nc(N)c2cnn(C3CCCCO3)c2n1 MOL16448
-C=CCNC1=NC(=O)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 MOL16449
-Cc1ccc(C)c(NC(=O)CC2SC(Nc3ccccc3Cl)=NC2=O)c1 MOL16450
-O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1ccccc1 MOL16451
-Cc1cccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c1C MOL16452
-CCOc1ccc(NC(=O)CC2SC(Nc3ccc(C)cc3)=NC2=O)cc1 MOL16453
-Cc1c(Cl)cccc1NC(=O)CC1Sc2ccccc2NC1=O MOL16454
-CCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)cc1 MOL16455
-Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1 MOL16456
-Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)c(C)c1 MOL16457
-Cc1c(Cl)cccc1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O MOL16458
-Cc1cccc(C(C)(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O MOL16459
-O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1cc(Cl)ccc1Cl MOL16460
-Cc1ccc(C)c(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c1 MOL16461
-O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1 MOL16462
-Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)c(C)c1 MOL16463
-Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2=O)cc1C MOL16464
-O=C(CC1C(=O)Nc2ccccc2S1=O)Nc1cc(Cl)ccc1Cl MOL16465
-CCOc1ccc(NC2=NC(=O)C(CC(=O)Nc3ccccc3[N+](=O)[O-])S2)cc1 MOL16466
-CCOc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2S1=O MOL16467
-CCc1cccc(C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O MOL16468
-Cc1ccccc1NC(=O)CC1C(=O)Nc2ccccc2S1=O MOL16469
-CCOc1ccc(NC(=O)CC2SC(Nc3ccc(C)cc3C)=NC2=O)cc1 MOL16470
-Cc1ccc(NC(=O)CC2C(=O)Nc3ccccc3S2(=O)=O)cc1C MOL16471
-O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1ccc(Cl)cc1 MOL16472
-Cc1cccc(C(C)C)c1NC(=O)CC1C(=O)Nc2ccccc2S1(=O)=O MOL16473
-Cc1cc(Cl)ccc1NC(=O)CC1SC(NC(=O)c2ccccc2Cl)=NC1=O MOL16474
-COc1ccc(NC(=O)CC2SC(Nc3ccc(Cl)cc3C)=NC2=O)c([N+](=O)[O-])c1 MOL16475
-O=C(CC1C(=O)Nc2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 MOL16476
-O=C(CC1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl MOL16477
-CCc1cccc(C(C)CC)c1NC(=O)CC1C(=O)Nc2ccccc2S1=O MOL16478
-CCCCCCCCCCCCCC(=O)NO MOL16479
-O=[N+]([O-])c1ccccc1C1SCc2nc3ccccc3n21 MOL16480
-O=[N+]([O-])c1cccc(C2SCc3nc4ccccc4n32)c1 MOL16481
-O=[N+]([O-])c1ccc(C2SCc3nc4ccccc4n32)cc1 MOL16482
-N#Cc1cccc(C2SCc3nc4ccccc4n32)c1 MOL16483
-FC(F)(F)c1cc(C2SCc3nc4ccccc4n32)cc(C(F)(F)F)c1 MOL16484
-Fc1ccc(C2SCc3nc4ccccc4n32)cc1Cl MOL16485
-CC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(O)C2C3(C)OC3CC(OC(C)=O)C2(C)C1OC(C)=O MOL16486
-CCCC(=O)OC1C(OC(C)=O)CC(C)=CC2OC(=O)C3(C)OC23C(O)C2C3(C)OC3CC(OC(C)=O)C12C MOL16487
-O=CCCn1[nH]c(=O)ccc1=O MOL16488
-CCOC(=O)CCn1ncc(Cl)c(Cl)c1=O MOL16489
-COC(=O)C(=O)CC(=O)CCn1ncc(Cl)c(Cl)c1=O MOL16490
-COC(=O)C1=CC(=O)C(C(=O)Nc2ccc(OC)cc2)C(c2ccccc2)O1 MOL16491
-COc1ccc(C=Cc2n[nH]c(=S)[nH]2)cc1 MOL16492
-O=c1c(=Cc2ccccc2F)sc2nc3ccccc3n12 MOL16493
-C=CCNC1=C(C(=O)OCC)C(=O)CO1 MOL16494
-O=c1c(=Cc2ccco2)sc2nc3ccccc3n12 MOL16495
-Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)c1 MOL16496
-O=c1c(=Cc2ccccc2O)sc2nc3ccccc3n12 MOL16497
-Cc1cccc(NC2=NC(=O)C(CC(=O)Nc3ccc(C)cc3C)S2)c1 MOL16498
-NNC(=S)NN=CC(Cl)=C(Cl)C(=O)O MOL16499
-CCCNC1=C(C(=O)OCC)C(=O)CO1 MOL16500
-COC(=O)CSc1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1 MOL16501
-COC(=O)CCC(=O)Nc1cc(C)ccc1C MOL16502
-O=C(O)CSc1n[nH]c(-c2ccco2)n1 MOL16503
-CC1=C(C(=O)NCc2ccccc2)C(c2ccc(N(C)C)cc2)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16504
-COc1cc(C2C(C(=O)Nc3ccccc3C)=C(C)NC(C)=C2C(=O)Nc2ccccc2C)ccc1O MOL16505
-COc1cc(C2C(C(=O)NCc3ccccc3)=C(C)NC(C)=C2C(=O)NCc2ccccc2)ccc1O MOL16506
-S=c1[nH]nc(COc2ccc(Cl)cc2Cl)[nH]1 MOL16507
-COc1ccc(C=Cc2nc(=S)[nH][nH]2)cc1OC MOL16508
-O=C(O)CSc1nnc(-c2ccccc2O)[nH]1 MOL16509
-CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)c(Cl)c2)C(C(=O)Nc2ccccc2)=C(C)N1 MOL16510
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16511
-NC(=O)NNCC(Cl)=C(Cl)C(=O)O MOL16512
-S=c1[nH]nc(-c2ccnc(-c3n[nH]c(=S)[nH]3)c2)[nH]1 MOL16513
-S=c1nc(C=Cc2ccc(Cl)c(Cl)c2)[nH][nH]1 MOL16514
-S=c1[nH]nc(C(c2ccccc2)c2ccccc2)[nH]1 MOL16515
-O=C(O)CSc1nnc(C=Cc2ccccc2)[nH]1 MOL16516
-O=C(O)CSc1nnc(Cc2ccccc2)[nH]1 MOL16517
-CC(=O)C(=Cc1ccco1)C(=O)Nc1ccccc1 MOL16518
-CCCCCCCCCCCCCCCc1nnc(SCC(=O)O)[nH]1 MOL16519
-Cc1cccc(C)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O MOL16520
-CCc1cccc(CC)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O MOL16521
-COC(=O)C1(C)C=C(Nc2ccccc2)C(=O)N1c1ccccc1 MOL16522
-CCOC(=O)C(=O)Nc1ccc(Cl)cc1C MOL16523
-CCOC(=O)C(=O)Nc1ccccc1OCC MOL16524
-CCOC(=O)C(=O)Nc1ccccc1CC MOL16525
-CCc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O MOL16526
-COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl MOL16527
-CC1=C(C(=O)CC(=O)C(=O)Nc2cccc(C)c2C)Sc2ccccc2N1 MOL16528
-O=[N+]([O-])c1ccc(C=Cc2csnn2)cc1 MOL16529
-COc1cc(C=Cc2csnn2)cc(OC)c1OC MOL16530
-COC(=O)C1=C(c2ccc(Cl)cc2)C(O)N=C(NN)N1 MOL16531
-COc1ccc(CC(=O)NCCc2ccc(OC)c(OC)c2)cc1Br MOL16532
-COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1Br MOL16533
-COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1Br MOL16534
-COc1ccc2c(c1)N1CCc3cc(OC)c(OC)cc3C1C2 MOL16535
-COc1ccc2cc3n(c2c1)CCc1cc(OC)c(OC)cc1-3 MOL16536
-COc1ccc2cc3c4cc(OC)c(OC)cc4ccn3c2c1 MOL16537
-CC(=O)OC1=C(c2ccccc2)c2ccccc2OC1 MOL16538
-CCN(CC)c1c(C)nnc2c(C)c(-c3ccccc3)nn12 MOL16539
-CONC(CC(=O)c1ccccc1)c1ccccc1 MOL16540
-O=S(=O)(c1ccccc1)C1CC(c2ccccc2)N(c2ccccc2)O1 MOL16541
-CCOC(=O)c1nc(C)c(-c2ccccc2)c(-c2ccccc2)c1C MOL16542
-CCOC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1C MOL16543
-COC(=O)C1ON(c2ccccc2)C2c3ccccc3-c3ccccc3C12 MOL16544
-CC1(C)OOC(O)C=C1c1ccccc1 MOL16545
-O=C1COC(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 MOL16546
-CC(C(=O)O)N(N=O)c1ccccc1 MOL16547
-C=CCc1ccccc1N(C(=O)c1ccccc1)C(C(=O)OCC)c1ccccc1 MOL16548
-C(=C1NC(c2ccccc2)=Nc2ccccc21)c1ccccc1 MOL16549
-O=[N+]([O-])c1ccc(NC(c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 MOL16550
-CC(C)(c1ccccc1)C(C)(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 MOL16551
-C=C=CP(=O)(c1ccccc1)c1ccccc1 MOL16552
-C=CCNC(=O)CN1N=C(c2ccccc2)NN1 MOL16553
-COC(=O)C1C(c2ccccc2)=NC(c2ccccc2)C1C(=O)OC MOL16554
-c1ccc(C2NC(c3ccccc3)N3C(c4ccccc4)N23)cc1 MOL16555
-COc1ccccc1C1SC(c2ccccc2)(c2ccccc2)OC1=O MOL16556
-O=S1(=O)C2C=CCC1C(c1ccccc1)CC2 MOL16557
-O=C(ON(Cc1ccccc1)C(=O)C1C=CC=C1)C1=CCC=C1 MOL16558
-COC(=O)C1(C)CC(c2ccccc2)=NC1c1ccccc1 MOL16559
-[N-]=[N+]=C1C(=O)NCN=C1c1ccccc1 MOL16560
-O=S1(=O)CC(Cl)C(Sc2ccccc2)C1 MOL16561
-C=Cc1ccccc1N=NC(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL16562
-CC(C)(C)N1CC(C(=O)c2ccccc2)C1c1ccccc1 MOL16563
-CC1=NC(c2ccccc2)(C2(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)C(=O)O1 MOL16564
-O=C1OC2C3Cc4ccccc4N2C1C3 MOL16565
-C1=Cc2ccccc2C(c2ccccc2)=NC1 MOL16566
-CC(=O)C1(c2ccccc2)N(C(=O)c2ccccc2)C1(C)C(=O)c1ccccc1 MOL16567
-COC(=CN=Nc1nc(C#N)c(C#N)[nH]1)OC MOL16568
-C1=CC2C(c3cn(-c4ccccc4)nc31)C1C2C2C=CC3C(C=C2)C31 MOL16569
-O=S1(=O)C2CCCC1C(Cl)CC2 MOL16570
-Cc1ccc(S(=O)(=O)N(C)CC(=O)c2ccccc2)cc1 MOL16571
-Cl.Cn1cc(C(=O)NCCC(=N)N)cc1NC(=O)C1=[N+](C)C=C(NC(=O)c2cccc(C(=O)NC3=CC(C(=O)Nc4cc(C(=O)NCCC(=N)N)cn4C)=[N+](C)C3)c2)C1 MOL16572
-N#Cc1ccccc1C(Cl)(Cl)c1cnccn1 MOL16573
-N=c1c2ccccc2sc2nc3ccccc3n12 MOL16574
-Cn1c(=O)c2nc3sc4ccccc4c(=N)n3c2n(C)c1=O MOL16575
-COc1cc2ccnc(-c3c4ccccc4c(N)c4c(OC)c(OC)ccc34)c2cc1OC MOL16576
-Cn1c(=O)c2nc3sc4c(n3c2n(C)c1=O)C(=O)c1ccccc1C4=O MOL16577
-N#Cc1ccccc1Sc1ccccc1N MOL16578
-N#Cc1ccccc1Nc1ccccc1S MOL16579
-N#Cc1ccc(Sc2nc3ccccc3[nH]2)cc1 MOL16580
-N#Cc1ccc(Cc2ccccn2)cc1Cl MOL16581
-O=C1CC=CN1CCn1c(=S)[nH]c2ccccc21 MOL16582
-COC1CCC(=O)N1CCn1c(SCc2ccccc2)nc2ccccc21 MOL16583
-CC=C1C2C=C(C)CC1(N)c1ccc(O)nc1C2O MOL16584
-O=C1CC(Br)C(c2ccccc2)(c2ccccc2)O1 MOL16585
-BrC1CCCCCC(Br)C12OCCO2 MOL16586
-CC1=NN(c2ccccc2)C(=O)CC1 MOL16587
-Cc1nc2cc(N)c(F)cc2[nH]1 MOL16588
-CCCCCC1CC2=C(C(=O)OC2=O)C(O)C(O)(CCCC)CC2=C1C(=O)OC2=O MOL16589
-CC(C)c1cc2c(O)c(c1)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)C2 MOL16590
-CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 MOL16591
-CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 MOL16592
-CC(C)c1cc2c(O)c(c1)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)Cc1cc(C(C)C)cc(c1O)C2 MOL16593
-CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 MOL16594
-CCc1cc2c(O)c(c1)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)Cc1cc(CC)cc(c1O)C2 MOL16595
-CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 MOL16596
-Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1 MOL16597
-CC(C)c1ccc(O)c(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)c1 MOL16598
-CC(C)(C)c1ccc(O)c(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)ccc3O)c2O)c1 MOL16599
-Cc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(C)c3O)c2O)c1O MOL16600
-CCN(CC)[N+]([O-])=NO.[NaH] MOL16601
-CCON=[N+]([O-])N(CC)CC MOL16602
-CCN(CC)[N+]([O-])=NOC MOL16603
-CCCON=[N+]([O-])N(CC)CC MOL16604
-CCN(CC)[N+]([O-])=NOCC(C)O MOL16605
-COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1O)OCO4)N(C)CC2 MOL16606
-NCCNC(=O)CCC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O MOL16607
-CCN(CC)c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O MOL16608
-CCN(CC)c1c(C(=O)C=Cc2ccc(OC)cc2)c(-c2ccccc2)nn(C)c1=O MOL16609
-CCN(CC)c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O MOL16610
-CCN(CC)c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O MOL16611
-CC1CN1c1c(C(=O)C=Cc2ccccc2)c(-c2ccccc2)nn(C)c1=O MOL16612
-COc1ccc(C=CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CC2C)cc1 MOL16613
-CC1CN1c1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2ccccc2)nn(C)c1=O MOL16614
-CC1CN1c1c(C(=O)C=Cc2ccc(F)cc2)c(-c2ccccc2)nn(C)c1=O MOL16615
-CC1CC2OC(=O)C3CCCC(=C23)C12CC(c1ccoc1)OC2=O MOL16616
-CC=C1CN2CCc3c4n(c5ccccc35)C(CO)C1CC42 MOL16617
-CC=C1CN2CCC34C=C(CO)C1CC23Nc1ccccc14 MOL16618
-Cc1nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n2c1C=CC(C)C MOL16619
-O=C1C=C2CC3=CC(=O)C=C(CC4=CC(=O)C=C(CC5=CC(=O)C=C(CC(=C1)C2=O)C5=O)C4=O)C3=O MOL16620
-CCOC(=O)C(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 MOL16621
-CC1=C(C(=O)CC(=O)C(=O)Nc2cc(C)ccc2C)Sc2ccccc2N1 MOL16622
-N#CC(C(=O)C(=NN)C(C#N)c1ccccc1)c1ccccc1 MOL16623
-CC1=C(C(=O)CC(=O)C(=O)Nc2cccc(Cl)c2C)Sc2ccccc2N1 MOL16624
-O=C1C2Nc3ccccc3SC2C(=O)N1c1ccccc1C(F)(F)F MOL16625
-CCOC(=O)C(=O)Nc1c(C)cccc1CC MOL16626
-NC(=O)C(=O)n1ncc(Cl)c(Cl)c1=O MOL16627
-CC(=O)C(=Cc1ccccc1)C(=O)Nc1ccccc1 MOL16628
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1C MOL16629
-COc1ccc(C=C(C(C)=O)C(=O)Nc2ccccc2)cc1 MOL16630
-COc1ccccc1NC(=O)C(=Cc1ccccc1)C(C)=O MOL16631
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc([N+](=O)[O-])cc1 MOL16632
-CC(=O)C(=CC1=CCCO1)C(=O)Nc1ccccc1C MOL16633
-CC(=O)C(=Cc1ccccc1O)C(=O)Nc1ccccc1C MOL16634
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL16635
-O=C1OC(CC(=O)c2ccccc2Cl)C(Cl)=C1Cl MOL16636
-O=C1OC(CC(=O)c2ccc(F)cc2)C(Cl)=C1Cl MOL16637
-O=C1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C(=O)C1c1nc2ccccc2s1 MOL16638
-COc1ccc(C(=O)C(c2ccc(OC)cc2)C2OC(=O)C(Cl)=C2Cl)cc1 MOL16639
-CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N MOL16640
-CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C MOL16641
-Cc1c(C(=O)CC(=NNC(=O)C[n+]2ccccc2)C(=O)Nc2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-].[Cl-] MOL16642
-CCc1cccc(C(C)CC)c1NC(=O)C(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC MOL16643
-COC(=O)C(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)OC MOL16644
-COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(=O)c1ccccc1O)c(C)[n+]2[O-] MOL16645
-COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(N)=S)c(C)[n+]2[O-] MOL16646
-Cc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NNC(=O)C[n+]2ccccc2)cc1.[Cl-] MOL16647
-CCc1cccc(C)c1NC(=O)CCc1nc(=S)[nH][nH]1 MOL16648
-COC(=O)C(CC=O)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 MOL16649
-O=C(CCc1nnc2sc(=Cc3ccc(Cl)cc3Cl)c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl MOL16650
-CCc1ccccc1NC(=O)C(CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-])=NNS(=O)(=O)c1ccc(C)cc1 MOL16651
-COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NOCCCc1ccccc1)C(=O)NC13CC4CC(CC(C4)C1)C3)c(C)[n+]2[O-] MOL16652
-Cc1c(C(=O)CC(=NNC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] MOL16653
-CC(=O)Nc1ccc(C=c2sc3nnc(CCC(=O)Nc4ccccc4Cl)n3c2=O)cc1 MOL16654
-O=C(CCc1nnc2sc(=Cc3ccccc3Cl)c(=O)n12)Nc1cc(Cl)ccc1Cl MOL16655
-CCOc1ccc(NC(=O)C(CC(=O)c2c[n+]([O-])c3ccccc3[n+]2[O-])=NOCCCc2ccccc2)cc1 MOL16656
-COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-].[Cl-] MOL16657
-Cc1ccc(S(=O)(=O)NN=C(CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccccc2C)cc1 MOL16658
-COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(C)c1C)c(C)[n+]2[O-] MOL16659
-Cc1ccc(S(=O)(=O)NN=C(CC(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])C(=O)Nc2ccc(C)c(C)c2)cc1 MOL16660
-COC(=O)C(=O)C(CC(=O)Nc1c(C)cccc1C)C(=O)OC MOL16661
-CCOc1ccccc1NC(=O)CCc1nc(=S)[nH][nH]1 MOL16662
-CC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C=CC1O MOL16663
-CC1OC(n2cc(F)c(=O)[nH]c2=O)CCC1O MOL16664
-S=c1[nH]c2cccc3c2n1CC1CCCN1C3 MOL16665
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL16666
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL16667
-CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC12C(C(=O)OC(C)(C)C)C(=O)C3C(=O)OC(C)(C)C MOL16668
-COC(=O)C1=C(OC)C(C(=O)OC)C23CCCC12C(C(=O)OC)C(OC)C3C(=O)OC MOL16669
-CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C2(C)C(C(=O)OC(C)(C)C)C(=O)C(C(=O)OC(C)(C)C)C12C MOL16670
-CCOC(=O)C1=C(C)C(C(=O)OC)C2(C)C(C(=O)OCC)=C(O)C(C(=O)OC)C12C.[NaH] MOL16671
-COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12 MOL16672
-C=C1C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C2(CCC)C1C(=O)OC MOL16673
-CCCC12C(C(=O)OC)C(=O)C(C(=O)OC)C1(C)C(C(=O)OC)C(=O)C2C(=O)OC MOL16674
-CC12C(C(=O)O)C(=O)C(C(=O)O)C1(C)C(C(=O)O)C(=O)C2C(=O)O MOL16675
-O=C1CC23CCCC2(C1)CC(=O)C3 MOL16676
-COC(=O)C1=C(OC)C(C(=O)OC)C2(C)C(C(=O)OC)=C(OC)C(C(=O)OC)C12C MOL16677
-CC(C)(C)OC(=O)C1C(=O)C(C(=O)OC(C)(C)C)C23CCCCC12C(C(=O)OC(C)(C)C)C(=O)C3C(=O)OC(C)(C)C MOL16678
-COC1=C(C(=O)OC(C)(C)C)C2C(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)C2C1C(=O)OC(C)(C)C MOL16679
-COC(=O)C1C(=O)C(C(=O)OC)C23C(C)CCC12C(C(=O)OC)C(=O)C3C(=O)OC MOL16680
-COC1=C(C(=O)OC(C)(C)C)C23CCCCCCCCCCC2(C(C(=O)OC(C)(C)C)=C(OC)C3C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C MOL16681
-CC12CC(=O)CC1(C)CC(=O)C2 MOL16682
-COC(=O)C1C(=O)C(C(=O)OC)C2(C)C(C(=O)OC)C(=O)C(C(=O)OC)C12C MOL16683
-COC(=O)C1C(=O)CC2C(C(=O)OC)C(=O)CC12 MOL16684
-Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1 MOL16685
-Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1 MOL16686
-Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc5c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O5)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1 MOL16687
-Oc1ccc(C2Oc3cc4c5c(c3C2c2cc(O)cc(O)c2)C2c3cc(c(O)cc3OC2c2ccc(O)cc2)C2c3c(cc(O)cc3C5C(c3ccc(O)cc3)O4)OC2c2ccc(O)cc2)cc1 MOL16688
-O=C1C=C2C3c4c(cc(O)cc4C4c5c(O)cc6c(c5C5C(c7ccc(O)cc7)C1C(=O)C25C4c1ccc(O)cc1)C(c1cc(O)cc(O)c1)C(c1ccc(O)cc1)O6)OC3c1ccc(O)cc1 MOL16689
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 MOL16690
-COC(CN1CCOCCOCCOCC1)CN1CCOCCOCCOCC1.[O-][Cl+3]([O-])([O-])O MOL16691
-NN=c1c2ccccc2c2ccc3c4ccccc4c(=NN)c3c12 MOL16692
-NN=c1c2ccccc2c2cc3c(cc12)c(=NN)c1ccccc13 MOL16693
-Cc1noc(C)c1C1=CCCCc2ccccc21 MOL16694
-CC12COC(C)(CC(S(=O)(=O)c3ccccc3)C1)O2 MOL16695
-CCC1OC2(C)CC(S(=O)(=O)c3ccccc3O)CC1O2 MOL16696
-CC(C)(C)c1cc(-c2c3ccc(n3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc([nH]3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc(n3)c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc2[nH]3)cc(C(C)(C)C)c1 MOL16697
-O=C1c2ccccc2C(=O)N1CCn1nc(-c2ccccc2)cc(-c2ccccc2)c1=O MOL16698
-C=C[Si](C)(C)COC(=O)C(C#N)=CC=Cc1ccccc1 MOL16699
-CN1C=C(C(N)=O)Cc2ccsc21 MOL16700
-N=C1N(c2ccccc2)C(=O)C23CCCC2C13N1CCOCC1 MOL16701
-NCC1(N2CCOCC2)C2CCCC21CO MOL16702
-COc1cc(OC)c2c(-c3ccc(O)cc3)cc(=O)oc2c1 MOL16703
-O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL16704
-O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)c(N=Nc3ccc(C=Cc4ccc(N=Nc5c(S(=O)(=O)O)cc(O)c6c(O)cc(S(=O)(=O)O)cc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c2c1.[NaH] MOL16705
-Nc1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(N)c5cc(S(=O)(=O)O)ccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12.[NaH] MOL16706
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)cc1S(=O)(=O)O.[NaH] MOL16707
-Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2ccccc12.[NaH] MOL16708
-Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL16709
-Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc5cc(S(=O)(=O)O)ccc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc2cc(S(=O)(=O)O)ccc12.[NaH] MOL16710
-Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(CCc4ccc(N=Nc5ccc6c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c12.[NaH] MOL16711
-Nc1c(N=Nc2ccc(CCc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[NaH] MOL16712
-O=S(=O)(O)c1ccc2c(N=Nc3ccc(CCc4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)O)ccc56)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)ccc2c1.[NaH] MOL16713
-Nc1ccc(N=Nc2ccc(CCc3ccc(N=Nc4ccc(N)c5cc(S(=O)(=O)O)ccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccc(S(=O)(=O)O)cc12.[NaH] MOL16714
-CNC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16715
-CN(N=O)C(=O)N(N)CCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16716
-CNC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16717
-CN(N=O)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16718
-C#CCNC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16719
-C#CCN(N=O)C(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16720
-C#CCNC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16721
-C#CCN(N=O)C(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16722
-C#CCNC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL16723
-C#CCNC(=O)ON1C(=O)CCC1=O MOL16724
-C=CCNC(=O)ON1C(=O)CCC1=O MOL16725
-C=CCN(N=O)C(=O)ON1C(=O)CCC1=O MOL16726
-C#CCN(N=O)C(=O)ON1C(=O)CCC1=O MOL16727
-C#CCNC(=O)N(CC#C)N=O MOL16728
-C#CCN(C)C(=O)N(CC#C)N=O MOL16729
-ON=C1C(=Cc2ccc(Br)cc2)CCCC1C(NO)c1ccc(Br)cc1 MOL16730
-ON=C1C(=Cc2ccccc2)CCCC1C(NO)c1ccccc1 MOL16731
-COc1ccc(C=C2CCCCC2=NO)cc1 MOL16732
-NC(=S)NN=C1CCCCC1=Cc1ccccc1 MOL16733
-CN(C)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.Cl MOL16734
-CCN(CC)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.Cl MOL16735
-Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCCCC2)CC1=Cc1ccccc1 MOL16736
-CN(C)CCC(C=Cc1ccccc1)=NNc1ccc(Cl)cc1.Cl MOL16737
-C[N+](C)(C)CC1CCCCC1=NO.[I-] MOL16738
-ON=C1CCCCC1C(NO)c1ccccc1 MOL16739
-C(=C1CCCC(=Cc2ccccc2)C1=NNc1ccccc1)c1ccccc1 MOL16740
-CCN(CC)c1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1.[I-] MOL16741
-COc1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1.[I-] MOL16742
-CSc1ccc(C=C2C[N+](C)(C)CC(=Cc3ccc(SC)cc3)C2=O)cc1.[I-] MOL16743
-C[N+]1(C)CC(=Cc2ccc(F)cc2)C(=O)C(=Cc2ccc(F)cc2)C1.[I-] MOL16744
-CC(=NNC(N)=O)c1ccc(Cl)cc1 MOL16745
-COc1ccc(C(C)=NNC(N)=O)cc1 MOL16746
-NC(=O)NN=Cc1ccc(Cl)cc1 MOL16747
-COc1ccc(C=NNC(N)=O)cc1 MOL16748
-NN=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1 MOL16749
-CN(C)CCCOc1ccc(C=C2CCCC(=Cc3ccc(OCCCN(C)C)cc3)C2=O)cc1 MOL16750
-CCCCCCCCCCC(O)C1CCC(C(O)CCC(O)C2CCC(CCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1 MOL16751
-CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(CO)C(O)C(O)C1O MOL16752
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc1cnc[nH]1)C(=O)O)C(C)O)C(C)CC MOL16753
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)O)C(C)CC MOL16754
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC MOL16755
-CCC(C)C(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(N)CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL16756
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(N)=O)C(=O)O)C(C)CC MOL16757
-CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]cn1)C(=O)O)C(C)O MOL16758
-CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)O)C(C)O MOL16759
-CC(C)CC(N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O MOL16760
-CC(NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)O)C(C)O MOL16761
-CCC(C)C(NC(=O)CNC(=O)CN)C(=O)NCC(=O)NCC(=O)O MOL16762
-CC(N)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O MOL16763
-NC(CO)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CO)C(=O)O MOL16764
-NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CO)C(=O)O MOL16765
-CC(C)CC(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(C)C)C(C)O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)O MOL16766
-CC(C)(C)CP(=S)(CCP(CCP(=S)(CC(C)(C)C)CC(C)(C)C)CCP(=S)(CC(C)(C)C)CC(C)(C)C)CC(C)(C)C MOL16767
-CC(C)(C)CP(=S)(CC(C)(C)C)CC(C)(C)C MOL16768
-CC(C)(C)CP(CCP(C)(C)=S)CC(C)(C)C MOL16769
-[O+]#C[Cr]12(C#[O+])(C#[O+])(C#[O+])[PH](c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16770
-[O+]#C[Ni-4]12(C#[O+])(C#[O+])[PH](c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16771
-[O+]#C[Ni-3]12(C#[O+])[PH](c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16772
-CC1(C)CCCC(C)(C)N1[P-]12C(=O)[P-]3(N4C(C)(C)CCCC4(C)C)[Fe+]1(C#[O+])(C#[O+])(C#[O+])[Fe+]23(C#[O+])(C#[O+])C#[O+] MOL16773
-CC(C)N(C(C)C)[P-]1(Br)[Mn+]2(C#[O+])(C#[O+])(C#[O+])[H-][Mn+]12(C#[O+])(C#[O+])C#[O+] MOL16774
-CC(C)N(C(C)C)P(N(C(C)C)C(C)C)[Mo](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL16775
-CC(C)N(C(C)C)P(Br)[Fe-3](C#[O+])(C#[O+])(C#[O+])C#[O+] MOL16776
-CC(C)N(C(C)C)[P-]12C(=O)[P-]3(N(C(C)C)C(C)C)[Fe+]1(C#[O+])(C#[O+])(C#[O+])[Fe+]23(C#[O+])(C#[O+])C#[O+] MOL16777
-O=S1(=O)OCCOS(=O)(=O)C1Cc1ccccc1 MOL16778
-CS(=O)(=O)C1S(=O)(=O)OCCOS1(=O)=O MOL16779
-O=S(=O)(O)CS(=O)(=O)OCCCl.[NaH] MOL16780
-CCCCCCCCCCCCCCCCN[Si](NCCCCCCCCCCCCCCCC)(NCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCC.Cl MOL16781
-CN1C(=O)C(C)(C)C2(SC(C)(C)C2(C)C)N(C)C1=S MOL16782
-[O+]#C[Fe+2]12345(C#[O+])([CH-]c6ccccc6[CH-][Fe+2]16789(C#[O+])(C#[O+])C1=C6[C-]7C8=C19)C1=C2[C-]3C4=C15 MOL16783
-[O+]#C[W]1([I-])(C#[O+])([N+]#[O+])[PH](c2ccccc2)(c2ccccc2)CC[PH]1(c1ccccc1)c1ccccc1 MOL16784
-CC[N+](CC)(CC)CC.N#CC(C#N)=C[C-](C#N)C#N MOL16785
-[O+]#C[W](C#[O+])(C#[O+])([PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)([PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)[PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1 MOL16786
-[O+]#C[Cr](C#[O+])(C#[O+])([PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)([PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1)[PH](C#Cc1ccccc1)(c1ccccc1)c1ccccc1 MOL16787
-[O+]#C[Fe+]12(C#[O+])(C#[O+])[P-]3(N(C4CCCCC4)C4CCCCC4)P(N(C4CCCCC4)C4CCCCC4)[P-]1(N(C1CCCCC1)C1CCCCC1)[Fe+]32(C#[O+])(C#[O+])C#[O+] MOL16788
-[ClH+][Pd-4]123([ClH+])[PH](c4ccccc4)(CC[PH]1(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1)CC[PH]3(c1ccccc1)c1ccccc1 MOL16789
-[CH2-][Mn+]12(C#[O+])(C#[O+])[PH](CCP(c3ccccc3)c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16790
-CCOC(=O)C(=O)Nc1ccc(C)cc1C MOL16791
-COc1ccc2c(c1)[n+]([O-])c(C(C)=O)c(C)[n+]2[O-] MOL16792
-CCOC(=O)C(=O)Nc1cccc(Cl)c1C MOL16793
-O=S1c2ccccc2N=C(c2cccc3ccccc23)CC1c1cccc2ccccc12 MOL16794
-CCOC(=N)CC(=O)Nc1ccccc1.Cl MOL16795
-CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2O)C(C(=O)NCc2ccccc2)=C(C)N1 MOL16796
-CCC1C(C(=O)Nc2ccccc2C)=C(C)NC(C)=C1c1ccccc1C MOL16797
-CC(=O)Nc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)NC(C)=C2C(=O)Nc2ccccc2)cc1 MOL16798
-CC(=O)Nc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)NC(C)=C2C(=O)Nc2ccccc2C)cc1 MOL16799
-CCC(OCc1ccccc1)C(C)=CCC(C)C=C(Br)Br MOL16800
-Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16801
-O=C(NCCO)c1c(CO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16802
-COCc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16803
-CCOCc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16804
-CC(C)(C)NCc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16805
-CCN(CC)Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16806
-O=C(NCCO)c1c(CNC2CCCCC2)[n+]([O-])c2ccccc2[n+]1[O-] MOL16807
-O=C(NCCO)c1c(CN(CCO)CCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16808
-Cc1c(C(=O)N(CCO)CCO)[n+]([O-])c2ccccc2[n+]1[O-] MOL16809
-C[PH](C)(C)[Ir-3]([ClH+])([NH+]1C=CC=C1)([PH](C)(C)C)[PH](C)(C)C MOL16810
-CC1=C[NH+]([Ir-3]([ClH+])([PH](C)(C)C)([PH](C)(C)C)[PH](C)(C)C)c2ccccc21 MOL16811
-C[PH](C)(C)[Ir-3]([ClH+])([NH+]1C=Cc2cccnc21)([PH](C)(C)C)[PH](C)(C)C MOL16812
-C[PH](C)(C)[Ir-3]([ClH+])([NH+]1C=Cc2ccccc21)([PH](C)(C)C)[PH](C)(C)C MOL16813
-COC(=O)C=C(C(=O)OC)C1=C[NH+]([Ir-3]([ClH+])([PH](C)(C)C)([PH](C)(C)C)[PH](C)(C)C)c2ccccc21 MOL16814
-C[PH]1(C)CC[PH](c2ccccc2)(c2ccccc2)[Ni-2]1([ClH+])[ClH+] MOL16815
-O=C([OH+][Fe+2]123(C#[O+])(C=C1[CH-]2)[PH](c1ccccc1)(c1ccccc1)CC[PH]3(c1ccccc1)c1ccccc1)C(F)(F)F MOL16816
-O=C([OH+][Mn+]1(C#[O+])(C#[O+])(C#[O+])[PH](c2ccccc2)(c2ccccc2)C=C[PH]1(c1ccccc1)c1ccccc1)C(F)(F)F MOL16817
-CO[PH](OC)(OC)[Mn+](C#[O+])(C#[O+])([OH+]C(=O)C(F)(F)F)([PH](OC)(OC)OC)[PH](OC)(OC)OC MOL16818
-[O+]#C[W]12(C#[O+])(C#[O+])[PH](c3ccccc3)(CC[PH]1(c1ccccc1)c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL16819
-[O+]#C[Mo+2]1234(C#[O+])(C#[O+])([CH-]c5ccccc5)C5=C1[C-]2C3=C54 MOL16820
-O=C([OH+][Mo+2]1234(C#[O+])(C#[O+])(C#[O+])C5=C1[C-]2C3=C54)C(F)(F)F MOL16821
-CS[CH-][Mo+2]1234(C#[O+])(C#[O+])(C#[O+])C5=C1[C-]2C3=C54 MOL16822
-c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1 MOL16823
-c1ccc(P(CC[As](c2ccccc2)c2ccccc2)CC[As](c2ccccc2)c2ccccc2)cc1 MOL16824
-c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1 MOL16825
-c1ccc([PH](c2ccccc2)(c2ccccc2)[Pt-2]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL16826
-C1=C[PH](c2ccccc2)(c2ccccc2)[Pt-4]23([PH]1(c1ccccc1)c1ccccc1)([PH](c1ccccc1)(c1ccccc1)C=C[PH]2(c1ccccc1)c1ccccc1)[PH](c1ccccc1)(c1ccccc1)C=C[PH]3(c1ccccc1)c1ccccc1 MOL16827
-CN1[PH](F)(F)[Ni-2]2([PH](c3ccccc3)(c3ccccc3)c3ccccc3)[PH](F)(F)N(C)[PH](F)(F)[Ni-2]([PH](c3ccccc3)(c3ccccc3)c3ccccc3)([PH]1(F)F)[PH](F)(F)N(C)[PH]2(F)F MOL16828
-CO[PH](OC)(OC)[Ni-2]12[PH](F)(F)N(C)[PH](F)(F)[Ni-2]([PH](OC)(OC)OC)([PH](F)(F)N(C)[PH]1(F)F)[PH](F)(F)N(C)[PH]2(F)F MOL16829
-[Pt].c1ccc(P(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1 MOL16830
-[Pt].c1ccc(P(CCP(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 MOL16831
-c1ccc([PH]23CC[PH]4(c5ccccc5)CC[PH](c5ccccc5)(c5ccccc5)[Pt-2]24[PH](c2ccccc2)(c2ccccc2)CC3)cc1 MOL16832
-Cc1ccc([PH]2(c3ccc(C)cc3)CC[PH](c3ccccc3)(c3ccccc3)[Pt-2]23[PH](c2ccccc2)(c2ccccc2)CC[PH]3(c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL16833
-N=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1F MOL16834
-COC(=O)N1c2c(ccc3c2OCO3)C23C4CN5CCCC(CCC12C(=O)OC)(CC4=O)C53 MOL16835
-CC(C)Cc1cnc(CC(C)C)c(-c2cc3ccccc3[nH]2)n1 MOL16836
-CC(C)Cc1nc(-c2cc3ccccc3[nH]2)c(CC(C)C)nc1-c1cc2ccccc2[nH]1 MOL16837
-Cc1cnc(C)c(-c2cc3ccccc3[nH]2)n1 MOL16838
-F[PH]1(F)N(c2ccccc2)[PH](F)(F)[Cr]123([PH](F)(F)N(c1ccccc1)[PH]2(F)F)[PH](F)(F)N(c1ccccc1)[PH]3(F)F MOL16839
-CC(C)(C)C[PH]1(CC(C)(C)C)CC[PH](CC(C)(C)C)(CC(C)(C)C)[Mo]1(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL16840
-CC(C)(C)C[PH]1(CC(C)(C)C)CC[PH](CC(C)(C)C)(CC(C)(C)C)[Pd-2]1([ClH+])[ClH+] MOL16841
-C[N+](C)(C)C.[O+]#C[Cr]1(C#[O+])(C#[O+])(C#[O+])[N+](c2ccccc2)=N[NH+]1c1ccccc1 MOL16842
-CN(C)P(CCP(C)C)N(C)C MOL16843
-CCN(CC)P1CCP(c2ccccc2)CC1 MOL16844
-ClP(Cl)CCP(CCP(Cl)Cl)c1ccccc1 MOL16845
-C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C MOL16846
-C[PH]1(C)CC[PH]2(C)CC[PH](C)(C)[Cr]12(C#[O+])(C#[O+])C#[O+] MOL16847
-C[SiH-](C)(C)[Fe+2]12345(C6=C1[C-]2C3=C64)[PH](c1ccccc1)(c1ccccc1)CC[PH]5(c1ccccc1)c1ccccc1 MOL16848
-C[CH+][Mo+2]1234(C#[O+])(C#[O+])([PH](Oc5ccccc5)(Oc5ccccc5)Oc5ccccc5)C5=C1[C+]2C3=C54 MOL16849
-[O+]#C[Mo+2]12345(C#[O+])(C6=C1[C-]2C3=C64)[PH](c1ccccc1)(c1ccccc1)C=C[PH]5(c1ccccc1)c1ccccc1.[O+]#C[Mo]1234(C#[O+])(C#[O+])C5=C1[C-]2C3=C54 MOL16850
-[O+]#C[Mo+2]12345(C#[O+])(C6=C1[C-]2C3=C64)[PH](c1ccccc1)(c1ccccc1)CC[PH]5(c1ccccc1)c1ccccc1.[O+]#C[Mo]1234(C#[O+])(C#[O+])C5=C1[C-]2C3=C54 MOL16851
-[I-][Pd-2]([I-])([PH](N1CCOCC1)(N1CC1)N1CC1)[PH](N1CCOCC1)(N1CC1)N1CC1 MOL16852
-[I-][Pd-2]([I-])([PH](N1CC1)(N1CC1)N1CC1)[PH](N1CC1)(N1CC1)N1CC1 MOL16853
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCCCCCCCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL16854
-CN(C)[PH](F)(F)[Fe+2]1234([I-])([PH](F)(F)N(C)C)C5=C1[C-]2C3=C54 MOL16855
-CN1[PH](F)(F)[Ni]234[PH](F)(F)N(C)[PH](F)(F)[Ni]([PH]1(F)F)([PH](F)(F)N(C)[PH]2(F)F)([PH](F)(F)N(C)[PH]3(F)F)[PH](F)(F)N(C)[PH]4(F)F MOL16856
-[O+]#C[Mn+]1234([PH](F)(F)N5CCCCC5)([PH](F)(F)N5CCCCC5)C5=C1[C-]2C3=C54 MOL16857
-[O+]#C[Fe+]12(C#[O+])(C#[O+])[P-]3(c4ccccc4)c4ccccc4[P-]1(c1ccccc1)[Fe+]32(C#[O+])(C#[O+])C#[O+] MOL16858
-[O+]#C[Cr](C#[O+])(C#[O+])(C#[O+])(C#[O+])[PH]1(c2ccccc2)C2C=CC=CC1C=C2 MOL16859
-[O+]#C[Fe-3](C#[O+])(C#[O+])([PH]1(c2ccccc2)C2C=CC=CC1C=C2)[PH]1(c2ccccc2)C2C=CC=CC1C=C2 MOL16860
-CC1(C)C=CCC2(C)Oc3ccccc3CC2CCC2(C)Oc3ccccc3CC2C1 MOL16861
-CC1CCC2C1C1C(CCC23CCc2ccccc2O3)C1(C)C MOL16862
-CC(C)=CCCC(C)=CCCC(C)=CCc1c[nH]c2ccccc12 MOL16863
-Cc1ccccc1C=Cc1csnn1 MOL16864
-COC(=O)c1nc(NN)cc(O)c1CCCCCc1c(O)nc(NN)nc1C(=O)OC MOL16865
-Oc1ccccc1C=Cc1csnn1 MOL16866
-COC(=O)c1nc(NC#N)nc(O)c1C MOL16867
-Cc1cc(Cl)ccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=NNC(=O)c2ccccc2O)C1=O MOL16868
-C=CC1=CSNN1 MOL16869
-CC(=NNC(=O)c1ccccc1O)C1=CNc2ccccc2S1 MOL16870
-CCC(C)c1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL16871
-Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1nc2ccccc2o1 MOL16872
-CCCCCCCCCCCCCCCCc1c(O)nc(S)nc1C(=O)OC MOL16873
-O=C1C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)C1c1nc2ccccc2o1 MOL16874
-CSc1nnc(COc2ccc(Cl)cc2)o1 MOL16875
-CCc1cccc(C)c1NC(=O)CCc1nnc(SC)o1 MOL16876
-NN=C1C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL16877
-COC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3 MOL16878
-COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 MOL16879
-CCc1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O MOL16880
-CC1=C(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)Sc2ccccc2N1 MOL16881
-O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2c(Cl)ccc(Cl)c21 MOL16882
-CC(=NNC(=O)C(N)=O)C1=C(C)Nc2ccccc2S1 MOL16883
-CCCCCCCCCCCCCCCCc1c(O)nc(NN)nc1C(=O)OC MOL16884
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc2ccccc2c1 MOL16885
-CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2C)Sc2ccccc2N1 MOL16886
-COC(=O)c1nc(N)nc(O)c1CCCCCc1c(O)nc(N)nc1C(=O)OC MOL16887
-COC(=O)c1nc(N)nc(O)c1-c1ccc(Cl)cc1 MOL16888
-COC(=O)c1nc(S)nc(O)c1-c1ccc(Cl)cc1 MOL16889
-CCOc1ccccc1NC(=O)C(=O)CC(=O)C1=C(C)Nc2ccccc2S1 MOL16890
-O=C(CC(=O)C1=CNc2ccccc2S1)C(=O)Nc1ccc(Cl)cc1 MOL16891
-CCc1cccc(C(C)CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1 MOL16892
-c1ccc([PH]2(c3ccccc3)CC[PH]34CC[PH](c5ccccc5)(c5ccccc5)[Pt-2]32[PH](c2ccccc2)(c2ccccc2)CC4)cc1 MOL16893
-O=C1NCC(=O)c2ncn(C3OC(CO)C(O)C3O)c2N1 MOL16894
-O=C1CNC(=O)c2c(ncn2C2OC(CO)CC2O)N1 MOL16895
-CN1C(=O)CNC(=O)c2ncn(C3OC(CO)C(O)C3O)c21 MOL16896
-CN(N)c1ncnc2c1cnn2C MOL16897
-O=C1CNC(=O)c2ncn(C3OC(CO)C(O)C3O)c2N1 MOL16898
-CN1CC(=O)Nc2c(ncn2C2OC(CO)C(O)C2O)C1=O MOL16899
-O=C1CNC(=O)c2c(ncn2C2OC(CO)C(O)C2O)N1 MOL16900
-CNNc1ncnc2c1cnn2C MOL16901
-Cn1ncc2c(O)ncnc21 MOL16902
-C=C1C2CCC3C45COC(CC4=O)C(C)(C)C5=C(O)C(=O)C3(C2)C1OC(C)=O MOL16903
-CCOC(=O)C1(c2ccccc2)CCC(=O)CC1 MOL16904
-CCOC(=O)C1(c2ccccc2)CCCNCC1 MOL16905
-Cl.O=C(O)C1(c2ccccc2)CCCNCC1 MOL16906
-N#CCCC(C#N)(CCC#N)c1ccccc1 MOL16907
-O=C(O)CCC(CCC(=O)O)(C(=O)O)c1ccccc1 MOL16908
-CCOC(=O)C1CC(C(=O)OCC)(c2ccccc2)CCC1=O MOL16909
-CCOP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC MOL16910
-CC(C)OP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(C)C MOL16911
-CC(C)(C)C1=CC(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O MOL16912
-CC(C)(C)c1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O MOL16913
-CC(C)(C)c1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O MOL16914
-CC(C)(C)C1=CC(=Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C=C(C(C)(C)C)C1=O MOL16915
-Cc1ccc(S(=O)(=O)N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 MOL16916
-CC(C)(C)C1=CC(=NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C=C(C(C)(C)C)C1=O MOL16917
-CC(C)(C)c1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O MOL16918
-COc1ccc(C(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 MOL16919
-CC(C)(C)c1cc(C(=O)C=Cc2ccccc2)cc(C(C)(C)C)c1O MOL16920
-COc1ccc(C=CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 MOL16921
-COC(=O)c1ccc(CSc2ccccc2)cc1 MOL16922
-COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 MOL16923
-COC(=O)c1ccc(CSc2ccccc2C(=O)O)cc1 MOL16924
-COC(=O)c1ccc(CSc2ccccc2C(=O)OC)cc1 MOL16925
-O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 MOL16926
-COc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1 MOL16927
-O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1 MOL16928
-O=C(O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL16929
-Nc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1 MOL16930
-O=C(O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)O)cc1 MOL16931
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 MOL16932
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1 MOL16933
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL16934
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)OCC)cc1 MOL16935
-O=C(O)c1ccc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL16936
-COc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16937
-O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 MOL16938
-O=C(O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL16939
-Nc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16940
-O=C(O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1 MOL16941
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL16942
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 MOL16943
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 MOL16944
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 MOL16945
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL16946
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(N)cc2)c([N+](=O)[O-])c1 MOL16947
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)OCC)c([N+](=O)[O-])c1 MOL16948
-O=C(O)c1ccc(CS(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL16949
-Cc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16950
-COc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16951
-O=C(O)c1ccc(CS(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL16952
-Nc1ccc(S(=O)Cc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16953
-O=C(O)c1ccc(CS(=O)c2ccccc2C(=O)O)c([N+](=O)[O-])c1 MOL16954
-CCOC(=O)c1ccc(CS(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL16955
-CCOC(=O)c1ccc(CS(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 MOL16956
-CCOC(=O)c1ccc(CS(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL16957
-CCOC(=O)c1ccc(CS(=O)c2ccc(N)cc2)c([N+](=O)[O-])c1 MOL16958
-O=C(O)c1ccc(CSc2ccccc2)c([N+](=O)[O-])c1 MOL16959
-COc1ccc(SCc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16960
-O=C(O)c1ccc(CSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 MOL16961
-O=C(O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL16962
-Nc1ccc(SCc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1 MOL16963
-O=C(O)c1ccc(CSc2ccccc2C(=O)O)c([N+](=O)[O-])c1 MOL16964
-CCOC(=O)c1ccc(CSc2ccc(Cl)cc2)c([N+](=O)[O-])c1 MOL16965
-CCOC(=O)c1ccc(CSc2ccccc2C(=O)O)c([N+](=O)[O-])c1 MOL16966
-CCOC(=O)c1ccc(CSc2ccccc2C(=O)OCC)c([N+](=O)[O-])c1 MOL16967
-COc1ccc(SCc2ccc(C(=O)O)cc2)cc1 MOL16968
-O=C(O)c1ccc(CSc2ccc(Cl)cc2)cc1 MOL16969
-O=C(O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1 MOL16970
-Nc1ccc(SCc2ccc(C(=O)O)cc2)cc1 MOL16971
-O=C(O)c1ccc(CSc2ccccc2C(=O)O)cc1 MOL16972
-CCOC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 MOL16973
-CCOC(=O)c1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1 MOL16974
-CCOC(=O)c1ccc(CSc2ccccc2C(=O)O)cc1 MOL16975
-CCOC(=O)c1ccc(CSc2ccccc2C(=O)OCC)cc1 MOL16976
-Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccc(Br)cc1 MOL16977
-CC(C(=O)c1ccc(O)cc1)C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 MOL16978
-Cc1ccc(NC(=O)CCc2n[nH]c(=N)o2)cc1 MOL16979
-COc1cc(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)ccc1O MOL16980
-COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 MOL16981
-O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 MOL16982
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccco1 MOL16983
-O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1 MOL16984
-CCc1cccc(C)c1NC(=O)CC(=O)NNC(N)=S MOL16985
-COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c(C)cc(Cl)cc32)cc1 MOL16986
-O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)cc1Cl MOL16987
-CC(C)=CC(=O)CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL16988
-CCOc1ccc(NC(=O)CCC(=O)NN)cc1 MOL16989
-O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 MOL16990
-Cc1cc(Cl)cc2c1NC(=O)C2(O)C(C(=O)c1ccccc1)c1ccccc1 MOL16991
-O=C1c2ccccc2CC1C1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 MOL16992
-Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(C)cc(Cl)cc32)cc1 MOL16993
-O=C(CC1(O)C(=O)Nc2c(Cl)cccc21)c1ccccc1 MOL16994
-N#CC1(c2nc3ccccc3o2)C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=O MOL16995
-Cc1nnc(NN=C(C(=O)C(C#N)c2ccc(Cl)cc2)C(C#N)c2ccc(Cl)cc2)n1N MOL16996
-CCCC(=O)CC(C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL16997
-Cc1cc(Cl)cc2c1NC(=O)C2(O)C(C)C(=O)c1ccc(Cl)cc1 MOL16998
-Cc1c(Cl)ccc2c1NC(=O)C2(O)C(C(=O)c1ccccc1)c1ccccc1 MOL16999
-O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2ccc(Br)cc21 MOL17000
-Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1cccc2ccccc12 MOL17001
-Cc1[nH]c2ccccc2c1C(=O)CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 MOL17002
-COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 MOL17003
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 MOL17004
-O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2ccccc2c1 MOL17005
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc2ccccc12 MOL17006
-Cc1nnc(NN=C2C(=O)Nc3ccccc32)n1N MOL17007
-O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc2ccccc2c1 MOL17008
-N#CC(C(=O)C(=NNC(N)=O)C(C#N)c1ccccc1)c1ccccc1 MOL17009
-N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccccc1)c1ccccc1 MOL17010
-CC(=NNC(=O)c1ccccc1O)c1ccc(C(C)=NNC(=O)c2ccccc2O)c2nc3cc(C)c(C)cc3nc12 MOL17011
-COC(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccc(Cl)cc1 MOL17012
-N#CC(C(=NO)C(=NO)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL17013
-COC(=O)C(=NNc1nnc(C)n1N)C(C#N)c1ccc(Cl)cc1 MOL17014
-COC(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccccc1 MOL17015
-N#CC(C(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL17016
-N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Br)cc1)c1ccc(Br)cc1 MOL17017
-Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccco1 MOL17018
-N#CC(C(=O)C(=NN)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL17019
-CC(=NNC(=O)c1ccccc1O)c1c(O)cc(C)oc1=O MOL17020
-O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)cc1 MOL17021
-CN1CCC(SC2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 MOL17022
-CN1CCN(CCSC2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 MOL17023
-COC(=O)C(=NNC(N)=S)C(C#N)c1ccccc1 MOL17024
-N#CC(C(=NO)C(=NO)C(C#N)c1ccccc1)c1ccccc1 MOL17025
-CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2)Sc2ccccc2N1 MOL17026
-N#CC(C(=O)C(=NNC(N)=O)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL17027
-COc1ccc(C(=O)C(c2ccc(OC)cc2)C2(O)C(=O)Nc3c2ccc(Cl)c3C)cc1 MOL17028
-COC(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccccc1 MOL17029
-COC(=O)C(=NNc1nnc(C)n1N)C(C#N)c1ccccc1 MOL17030
-N#CC(C(=NNC(N)=S)C(=NNC(N)=S)C(C#N)c1ccccc1)c1ccccc1 MOL17031
-COC(=O)C(=NNC(N)=O)C(C#N)c1ccccc1 MOL17032
-O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccncc1 MOL17033
-O=C1Nc2ccccc2C1(O)CC(=NO)c1ccc2ccccc2c1 MOL17034
-N#CC(C(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL17035
-O=C(CC1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 MOL17036
-O=C1Nc2ccccc2C1=NNC(=O)c1ccccc1O MOL17037
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Br)cc1Br MOL17038
-O=C(c1ccc(Cl)cc1)C1OC12C(=O)Nc1c(Cl)cc(Cl)cc12 MOL17039
-Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc2ccccc2c1 MOL17040
-CCOc1ccc(NC(=O)C(=O)CC(=O)C2=C(C)Nc3ccccc3S2)cc1 MOL17041
-C(=Cc1csnn1)c1cccnc1 MOL17042
-CCCCCCCCCCCCCCCCc1c(O)nc(NC#N)nc1C(=O)OC MOL17043
-Nc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)cc(Cl)cc32)cc1 MOL17044
-NC(=O)C(=O)Cc1nc2ccccc2s1 MOL17045
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Br)cc1 MOL17046
-Cc1nnc(NN=C(C(=O)C(C#N)c2ccccc2)C(C#N)c2ccccc2)n1N MOL17047
-COC(=O)C(=NNC(=O)c1ccccc1O)C(C#N)c1ccc(Cl)cc1 MOL17048
-Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)cc1 MOL17049
-Cc1nnc(NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)n1N MOL17050
-Cc1ccc(NC(=O)CC2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1C MOL17051
-Nn1c(NN=C2C(=O)Nc3c(Cl)cc(Cl)cc32)n[nH]c1=S MOL17052
-CC(=NNC(=O)c1ccccc1O)C1=C(C)NC(C)=C(C(C)=NNC(=O)c2ccccc2O)C1C MOL17053
-Cc1c(Cl)ccc2c1NC(=O)C2(O)C1Cc2ccccc2C1=O MOL17054
-Nn1c(NN=C2C(=O)Nc3ccccc32)n[nH]c1=S MOL17055
-CCc1cccc(CC)c1NC(=O)C(=O)Cc1nc2ccccc2o1 MOL17056
-Cc1ccc(C)c(N2C(=O)C(=O)C(c3nc4ccccc4s3)C(=NN)C2=O)c1 MOL17057
-O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 MOL17058
-COC(=O)C1=NC(=S)NC(c2ccccc2)C1c1nc2ccccc2o1 MOL17059
-CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2o1 MOL17060
-Cc1cc(NC(=O)C(=O)Cc2nc3ccccc3s2)ccc1Cl MOL17061
-Cc1c(Cl)ccc2c1NC(=O)C2(O)CC(=O)c1ccc(Cl)cc1Cl MOL17062
-Cc1ccccc1NC(=O)C(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 MOL17063
-NNC(=O)NN=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL17064
-Cc1ccc(NC(=O)C(=O)Cc2nc3ccccc3o2)c(C)c1 MOL17065
-CC(C(=O)c1ccccc1)C1(O)C(=O)Nc2ccc(Cl)cc21 MOL17066
-Cc1cc(Cl)cc2c1NC(=O)C2(O)C(C(=O)c1ccccc1)c1ccccc1 MOL17067
-O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1Cl MOL17068
-O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1 MOL17069
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc([N+](=O)[O-])c1 MOL17070
-N#CC(C(=NNC(N)=S)C(=NNC(N)=S)C(C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL17071
-Cc1cc(Cl)cc2c1NC(=O)C2(O)CC(=O)c1ccc(F)cc1 MOL17072
-CC(=O)C(C)=NNC(=O)c1ccccc1O MOL17073
-CC(C)=CC(=O)CC(=O)C(=O)NCCNC(=O)C(=O)CC(=O)C=C(C)C MOL17074
-O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1 MOL17075
-O=C(CC1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(F)cc1 MOL17076
-N#CC(C(=O)C(=NNc1nc(=S)[nH]n1N)C(C#N)c1ccccc1)c1ccccc1 MOL17077
-COC(=O)Cc1cc(OC)c(OC)cc1Br MOL17078
-COc1cc(Br)c(CC2NCCc3cc(OC)c(OC)cc32)cc1OC MOL17079
-COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3N1CC2 MOL17080
-COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3n1CC2 MOL17081
-COc1cc2ccn3c4cc(OC)c(OC)cc4cc3c2cc1OC MOL17082
-NC(Cc1c[nH]cn1)C(=O)NC(Cc1ccc(O)c(O)c1)C(=O)NCC(=O)NC=Cc1c[nH]c2cc(Br)ccc12 MOL17083
-O=C1OCCOCCOC(=O)c2cccc(n2)C(=O)OCCOCCOC(=O)c2cccc1n2 MOL17084
-O=C1OCCOC(=O)c2cccc(n2)C(=O)OCCOC(=O)c2cccc1n2 MOL17085
-O=C(c1cccc(C(=O)N(c2ccccc2)c2ccccc2)n1)N(c1ccccc1)c1ccccc1 MOL17086
-COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(C(C)=O)C(C)(O)C2 MOL17087
-COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(OC(C)=O)=C(C)C2 MOL17088
-COc1c2c3c4c(c(OC)c(=O)c5c(O)c(Br)c(OC)c(c6c(OC)c(Br)c(O)c(c1=O)c36)c54)C(C(C)=O)=C(C)C2 MOL17089
-CCOC(=O)C(=O)Nc1ccccc1C(F)(F)F MOL17090
-O=C1C(=O)N(c2nccs2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL17091
-O=C1C(=O)N(C2C3CC4CC(C3)CC2C4)C(=O)C(=O)C1c1nc2ccccc2o1 MOL17092
-Cc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)cc3)sc2c1 MOL17093
-CCOC(=O)C(=O)Nc1c(C)cccc1C MOL17094
-CCOc1ccccc1N1C(=O)C(=O)C(c2nc3ccccc3s2)C(=O)C1=O MOL17095
-O=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C(=O)C1c1nc2ccccc2s1 MOL17096
-CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)C MOL17097
-O=C(c1ccccc1)C(c1ccccc1)C1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 MOL17098
-CCOC(=O)C(=O)Nc1ccccc1C MOL17099
-O=C(Nc1ccc(Cl)cc1Cl)C(Cl)=C1Sc2ccccc2NC1=O MOL17100
-CC(=O)CC(=O)Nc1ccccc1C(F)(F)F MOL17101
-CC(C)c1ccccc1NC(=O)C(Cl)=C1Sc2ccccc2NC1=O MOL17102
-Cc1cccc(C)c1NC(=O)CCc1nc(=S)[nH][nH]1 MOL17103
-COC(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C MOL17104
-COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=NNC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c(C)[n+]2[O-] MOL17105
-CCc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1[c-](C)[n+](=O)c2ccccc2[n+]1[O-] MOL17106
-O=C(CCc1nnc2sc(=Cc3ccccc3[N+](=O)[O-])c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl MOL17107
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NNC(=S)NN)C(=O)Nc1cccc(C(F)(F)F)c1)c[n+]2[O-] MOL17108
-COC(=O)C(=O)C(CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OC MOL17109
-COc1ccc2c(c1)[n+]([O-])c(C(C)=NNC(=O)CC#N)c[n+]2[O-] MOL17110
-O=C(CCc1nc(=S)[nH][nH]1)Nc1ccccc1Cl MOL17111
-Cc1c(C(=O)CC(=NNC(=O)c2ccccc2O)C(=O)Nc2ccccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-] MOL17112
-Cc1c(C(=O)CC(=NNC(=O)CC#N)C(N)=O)[n+]([O-])c2ccccc2[n+]1[O-] MOL17113
-O=C(CCc1nnc2sc(=Cc3ccc4c(c3)OCO4)c(=O)n12)Nc1cc(Cl)ccc1Cl MOL17114
-Cc1c(C(=O)CC(=NO)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)[n+]([O-])c2ccccc2[n+]1[O-] MOL17115
-CCc1cccc(C(C)C)c1NC(=O)C(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC MOL17116
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NNC(=O)c1ccccc1O)C(=O)Nc1ccccc1C(C)C)c(C)[n+]2[O-] MOL17117
-COC(=O)C(CC(=O)Nc1ccc(C)cc1)C(=O)C(=O)Nc1ccccc1C(C)C MOL17118
-Cc1cccc(C)c1NC(=O)CCc1nnc2sc(=Cc3ccc(Cl)cc3)c(=O)n12 MOL17119
-O=C(CCc1n[nH]c(=S)[nH]1)Nc1cccc(C(F)(F)F)c1 MOL17120
-O=C(CCc1nnc2sc(=Cc3ccccc3)c(=O)n12)Nc1cc(Cl)ccc1Cl MOL17121
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NOCCCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl)c(C)[n+]2[O-] MOL17122
-Cc1ccc(NC(=O)CCc2nnc3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n23)cc1 MOL17123
-Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=NNC(=O)CC#N)C(=O)Nc1ccccc1C(F)(F)F)c(C)[n+]2[O-] MOL17124
-Cc1ccc(C)c(NC(=O)CCc2nc(=S)[nH][nH]2)c1 MOL17125
-O=C(O)CCC(NC(=O)c1ccccc1)C(=O)O MOL17126
-O=C(CCc1ccccc1)CC1OC(=O)C(Cl)=C1Cl MOL17127
-Cc1nnc2n1N=C(CC(=O)c1ccc(O)cc1O)CN2N MOL17128
-Cl.N=C(N)NNC(=O)CCCCCCCC(=O)NNC(=N)N MOL17129
-N#CCC(=O)N1CCCCCCC1 MOL17130
-N#CCC(=O)N1CCCOCCC1 MOL17131
-O=[N+]([O-])c1cc(-c2nc(=S)[nH][nH]2)ccc1O MOL17132
-O=C(CC1SC(Nc2ccccc2Cl)=NC1=O)Nc1ccc(Cl)cc1 MOL17133
-CCOC(=O)C(=O)Nc1ccc(C)c(C)c1 MOL17134
-CCOC(=O)C(=O)Nc1c(CC)cccc1C(C)CC MOL17135
-[Cl-].c1ccc([P+](Cc2csnn2)(c2ccccc2)c2ccccc2)cc1 MOL17136
-CCOC(=O)C(=O)Nc1cccc(C)c1C MOL17137
-CCOC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL17138
-CC(=O)C(N=NC1CCC(S(=O)(=O)NB2N=CS2)CC1)C(=O)Nc1ccccc1C MOL17139
-C=C(C(=O)C(=O)Oc1ccc(Cl)cc1)C(=O)c1ccc(C)cc1 MOL17140
-Cc1ccc(CCC(=O)C(=O)O)s1 MOL17141
-CC(C)=CCCC(C)=CCN1Cc2cccc3[nH]c(=S)n(c23)CC1C MOL17142
-c1cc2c3c(c1)ncn3CC1CCCN1C2 MOL17143
-N#CC(C#N)=c1ccc(=c2ccc(=C(C#N)C#N)s2)s1 MOL17144
-CC=C(C)C(=O)OCC12C(OC(C)=O)CC(C)C(C)(CCC3=CC(=O)OC3)C1CCCC21CO1 MOL17145
-CCN(CC)CC(=O)NC1c2ccccc2Oc2ccccc21 MOL17146
-CCN(CC)CCC(=O)NC1c2ccccc2Oc2ccccc21 MOL17147
-Cc1cccc2c1Oc1ccccc1C2NC(=O)CN(C)C MOL17148
-CCN(CC)CC(=O)NC1c2ccccc2Oc2c(C)cccc21 MOL17149
-CCN(CC)CCC(=O)NC1c2ccccc2Oc2c(C)cccc21 MOL17150
-CCN(CC)CC(=O)NC1c2ccccc2Sc2c(C)cccc21 MOL17151
-CCN(CC)CCC(=O)NC1c2ccccc2Sc2c(C)cccc21 MOL17152
-Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CN(C)C MOL17153
-CCN(CC)CC(=O)NC1c2ccc(Cl)cc2Oc2c(C)cccc21 MOL17154
-Cc1cccc2c1Sc1ccccc1C2NC(=O)CCN(C)C MOL17155
-Cc1cccc2c1Sc1ccccc1C2NC(=O)CN(C)C MOL17156
-Cc1cccc2c1Oc1ccccc1C2NC(=O)CCN(C)C MOL17157
-O=c1cc2ccccc2nn1Cc1ccccc1 MOL17158
-CC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCCC1C(=O)O MOL17159
-COC(=O)C1=C(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCC1 MOL17160
-CC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCCC1C(=O)OCc1ccccc1 MOL17161
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)OCc1ccccc1 MOL17162
-CC(C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C MOL17163
-CC(C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C MOL17164
-CC=C1C(=Cc2[nH]c(C=c3[nH]c(=CC4=NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC(=O)C1C MOL17165
-COc1ccc2c(c1)OC1(O)c3cc4c(cc3OC1C2)OCO4 MOL17166
-C=C(C)C1CC=C2C(O)CC(O)C(C)C2(C)C1 MOL17167
-NC(=O)Nc1cc(O)ccc1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 MOL17168
-CCCCCCCCCCCCCCCc1ccc(OCC(O)CO)cc1 MOL17169
-NC(=S)Nc1cc(Cl)ccc1Cl MOL17170
-N#Cc1ccc([N+](=O)[O-])cc1NC(N)=S MOL17171
-COc1ccc(C2C(C#N)=C(O)NC(O)=C2C#N)cc1OC MOL17172
-Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2)OC(=O)Nc2ccc(C)cc2)cc1 MOL17173
-Cc1ccccc1OCC(COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 MOL17174
-CC(=O)Nc1ccc(C2=NC(=Cc3ccc(Cl)c(Cl)c3)C(=O)O2)cc1 MOL17175
-CCC1C(C#N)=C(O)NC(O)=C1C#N MOL17176
-N#CC1=C(O)NC(O)=C(C#N)C1c1c(Cl)cccc1Cl MOL17177
-CCOC(=O)C(=O)NCCCN1CCOCC1 MOL17178
-Cc1cc(OCC(O)CO)ccc1Cl MOL17179
-OCC(O)COc1ccc(Br)cc1 MOL17180
-Cc1ccc(C)c(C(=O)CC2OC(O)C(Cl)C2Cl)c1 MOL17181
-COc1ccccc1OCC(COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 MOL17182
-COC(=O)C(=O)C(C(=O)Nc1cccc(C)c1C)C1Sc2ccccc2NC1=O MOL17183
-O=C(CC1Sc2ccccc2NC1=O)Nc1ccccc1[N+](=O)[O-] MOL17184
-O=C(CC1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1 MOL17185
-Oc1ccccc1-c1n[nH]c(=S)[nH]1 MOL17186
-COc1cc(C(=O)CC2OC(=O)C(Cl)=C2Cl)ccc1Cl MOL17187
-CC1=C(C(=O)NCc2ccccc2)C(c2ccco2)C(C(=O)NCc2ccccc2)=C(C)N1 MOL17188
-N=c1[nH]nc(CCC(=O)Nc2cc(Cl)ccc2Cl)n1N MOL17189
-Cc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1C MOL17190
-Cc1cccc(C(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O MOL17191
-Cc1cccc(C(C)(C)C)c1NC(=O)CC1Sc2ccccc2NC1=O MOL17192
-CCOc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)cc1 MOL17193
-CCN(CC)c1ccc(N=Nc2ccc(-c3nc4ccc[n+](C)c4o3)cc2)cc1.[I-] MOL17194
-CCN(CC)c1ccc(N=Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 MOL17195
-CCN(CC)c1ccc(N=Nc2ccc(-c3nc4ccc[n+](C)c4s3)cc2)cc1.[I-] MOL17196
-CCN(CC)c1ccc(N=Nc2ccc(-c3nc4cccn(C)c-4n3)cc2)cc1.I MOL17197
-CCOC(=O)C=C1Oc2ccccc2C1(C)O MOL17198
-CCOC(=O)C=C1Oc2ccccc2C1(C)O MOL17199
-CC12c3ccccc3C(OC=O)(c3ccccc31)C1(C)c3ccccc3C2(OC=O)c2ccccc21 MOL17200
-CN(C)Cc1cc(C(=C(C#N)c2ccccc2)c2ccc(O)cc2)ccc1O MOL17201
-COc1ccc(C2(O)c3c(ccc(O)c3OC)C2OC)c(OC)c1 MOL17202
-COc1cccc(C2(O)c3c(ccc(O)c3OC)C2OC)c1OC MOL17203
-Cc1c2ccnc(O)c2cc2c(=O)c3cnccc3[nH]c12 MOL17204
-CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c(=O)c3cc12 MOL17205
-CC=C1Oc2ccc(OC)cc2S1(=O)=O MOL17206
-O=C(O)c1cc(=O)c2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2o1.[NaH] MOL17207
-O=C(CNc1nncs1)NO MOL17208
-COc1cc(C=Nc2nncs2)ccc1O MOL17209
-COc1cc(C(=O)NO)ccc1O MOL17210
-O=C(C=Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl MOL17211
-O=C(C=Cc1cccc2ccccc12)c1ccc(Br)cc1 MOL17212
-O=C(C=Cc1cccc2ccccc12)c1ccc(F)cc1 MOL17213
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 MOL17214
-CC(=O)C=Cc1cccc(N=S)c1 MOL17215
-O=C(C=Cc1ccccc1Cl)c1ccc(Cl)cc1Cl MOL17216
-N#Cc1ccccc1C=NO MOL17217
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 MOL17218
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl MOL17219
-O=C(C=Cc1ccccc1)c1ccc(Cl)cc1Cl MOL17220
-O=C(C=Cc1ccccc1Cl)c1ccccc1Cl MOL17221
-Cc1ccc(C(=O)C=Cc2ccccc2Cl)cc1 MOL17222
-O=C(C=Cc1cccc2ccccc12)c1cccs1 MOL17223
-NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl MOL17224
-CC1=NC(C(C)C)C(=O)O1 MOL17225
-OC1OCC(COc2cc(Cl)c(Cl)cc2Cl)OC1O MOL17226
-NC(=S)NN=CC(CO)OC(C=NNC(N)=S)n1cnc2c(N)ncnc21 MOL17227
-O=C(CC(=O)Nc1ccccc1O)Nc1ccccc1O MOL17228
-Cc1ccc(C(=O)O)cc1NC(=O)c1cc(C=Cc2ccccc2)nc(S)n1 MOL17229
-COc1c(NC(=O)CC(C)=O)c([Hg]OC(C)=O)c(OC)c(Cl)c1[Hg]OC(C)=O MOL17230
-CC(=O)CC(=O)Nc1c(C)c([Hg]OC(C)=O)c(C)c([Hg]OC(C)=O)c1[Hg]OC(C)=O MOL17231
-CC(C)(C)c1ccc(OC2CCO2)cc1 MOL17232
-COc1ccc2c(c1OC)C(C=C(c1ccccc1)c1ccccc1)CN(C)C2 MOL17233
-Clc1ccc(OC2CCO2)cc1Cl MOL17234
-CC(=O)c1ccc(OCC(O)CO)cc1 MOL17235
-COc1cc([Hg]OC(C)=O)c(OC)c(NC(=O)CC(C)=O)c1[Hg]OC(C)=O MOL17236
-CN1C(=NS(=O)(=O)c2ccc(Cl)cc2)C(=NN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 MOL17237
-CC(=O)c1ccc2c3ccccc3c3cccc4sc1c2c43 MOL17238
-C=C1C(=O)C23C(O)CC4C(C)(C)CCCC4(COC(C)=O)C2C(O)CC1C3O MOL17239
-CC1CCCC(C(=O)C(=Cc2cccc(Cl)c2)C(=O)C(=O)O)C1 MOL17240
-Cc1ccc(NC(=O)OCC(COc2ccc(Cl)cc2Cl)OC(=O)Nc2ccc(C)cc2)cc1 MOL17241
-Cc1cccc(Cl)c1NC(N)=S MOL17242
-CSc1ccc(OCC2OC2O)cc1 MOL17243
-O=C1OCC(C(=O)c2cccc(O)c2)C1=O MOL17244
-O=C(CC1OC(O)C(Cl)=C1Cl)c1cccnc1 MOL17245
-COC(=O)C(C)Oc1ccc(O)cc1 MOL17246
-CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2[N+](=O)[O-])C(C(=O)NCc2ccccc2)=C(C)N1 MOL17247
-CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 MOL17248
-O=C(CCc1n[nH]c(=S)o1)Nc1cc(Cl)c(Cl)cc1Cl MOL17249
-CCOC(=O)C(C#N)=C(O)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1 MOL17250
-CCOC(=O)CC1NC(=O)CS1 MOL17251
-CCOC(=O)C(C#N)=C(O)C(=Cc1ccc(Br)cc1)NC(=O)c1ccccc1 MOL17252
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1C1=CC=COC1 MOL17253
-Cc1cccc2ns[s+]c12.[Cl-] MOL17254
-O=C(NC1C2CC3CC(C2)CC1C3)C(Cl)=C1Sc2ccccc2NC1=O MOL17255
-CC(C)c1ccccc1NC(=O)CCc1n[nH]c(=S)o1 MOL17256
-CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)NN MOL17257
-O=C(CCc1n[nH]c(=S)o1)Nc1cc(Cl)ccc1Cl MOL17258
-O=C(CCc1n[nH]c(=S)o1)Nc1ccc(Cl)cc1Cl MOL17259
-Cc1cccc(C)c1NC(=O)CCc1n[nH]c(=S)o1 MOL17260
-CCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1 MOL17261
-Clc1ccc(Cl)c2[s+]snc12.[Cl-] MOL17262
-O=C(CCc1n[nH]c(=S)o1)Nc1ccccc1C(F)(F)F MOL17263
-Cc1ccc(C)c(NC(=O)CCc2n[nH]c(=S)o2)c1 MOL17264
-CCc1cccc(C)c1NC(=O)CCc1n[nH]c(=S)o1 MOL17265
-Cc1ccc(NC(=O)CCc2n[nH]c(=S)o2)cc1 MOL17266
-S=c1[nH]nc(COc2ccc(Cl)cc2)o1 MOL17267
-Cc1cccc(C(C)(C)C)c1NC(=O)CCc1n[nH]c(=S)o1 MOL17268
-CCN(CC)c1c(C)nnn1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL17269
-Sc1nc(S)nc(Oc2ccc(Cl)c(Cl)c2)n1 MOL17270
-CCCCCCN(N)C(=O)CC#N MOL17271
-Cc1ccc(S(=O)(=O)NC2CCCCO2)cc1 MOL17272
-CC(C)c1ccc(C=Cc2cc(C(=O)NNC(=O)NC3CCCCC3)nc(S)n2)cc1 MOL17273
-O=CC1CCCc2ccccc21 MOL17274
-CC1(C)CC(=O)CC(=Nc2ccc([N+](=O)[O-])cc2)C1 MOL17275
-O=C(NNC(=O)c1cc(C=Cc2cccc([N+](=O)[O-])c2)nc(S)n1)Nc1ccc(Cl)cc1 MOL17276
-CCCCNC(=O)NNC(=O)c1cc(C=Cc2cccc([N+](=O)[O-])c2)ncn1 MOL17277
-CCOc1ccccc1NC(=O)CCC(=O)OC MOL17278
-O=C(C=Cc1ccc(Cl)c(Cl)c1)C1CCC(Cl)CC1 MOL17279
-COc1cccc(C=C2N=C(Cl)OC2=O)c1O MOL17280
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F MOL17281
-Cc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2)cc1C MOL17282
-CC1=C(C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2)Sc2ccccc2N1 MOL17283
-Cc1ccccc1NC(=O)C(=O)C(C#N)c1ccc(Cl)cc1 MOL17284
-Cc1ccc(NC(=O)C(=O)C(C#N)c2ccccc2C)cc1C MOL17285
-Cc1ccccc1C(C#N)C(=O)C(=O)Nc1cccc(Cl)c1 MOL17286
-O=C(CC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 MOL17287
-Cc1ccccc1NC(=O)C(=O)C(C#N)c1ccccc1C MOL17288
-CC1=C(C(=O)CC(=O)C(=O)Nc2ccccc2C)Sc2ccccc2N1 MOL17289
-N#CC(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 MOL17290
-Cc1ccccc1C(C#N)C(=O)C(=O)Nc1nc([N+](=O)[O-])cs1 MOL17291
-O=C(CC(=O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL17292
-CCCCCCC(=O)CC(=O)C(=O)Nc1ccccc1C MOL17293
-COc1ccc(C(=O)CC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 MOL17294
-O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)C(=O)N(c2ccc(Cl)cc2Cl)C1=O MOL17295
-Cc1ccc(NC(=O)C2C(=O)N(c3ccc(C)c(C)c3)C(=O)C2=NO)cc1C MOL17296
-O=C1NC(=O)C2C(=O)NC(=O)C1C2c1c(Cl)cccc1Cl MOL17297
-N#CC1=C(Cl)NC(Cl)=C(C#N)C1c1ccc(Cl)cc1 MOL17298
-N#CC1=C(Cl)NC(Cl)=C(C#N)C1c1c(Cl)cccc1Cl MOL17299
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(O)(=[OH+])OCC[N+](C)(C)C)CCC4(C)C3CCC12C MOL17300
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)OCCN(C)C)CCC4(C)C3CCC12C MOL17301
-C#CCN(N=O)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL17302
-COC(=O)C1C(CO)C(n2cc(C)c(=O)[nH]c2=O)C1(C)C MOL17303
-Nc1ncnc2c1ncn2C1C(CO)C(CO)C12SCCCS2 MOL17304
-COC(=O)C1CC(F)(F)C1n1cnc2c(N)ncnc21 MOL17305
-Nc1ncnc2c1ncn2C1C(CO)CC1(F)F MOL17306
-CC1(CO)CC(O)C(n2cnc3c(N)ncnc32)O1 MOL17307
-CC1(C)C(CO)C(CO)C1n1cnc2c(N)ncnc21 MOL17308
-Cc1cn(C2C(CO)C(CO)C2(C)C)c(=O)[nH]c1=O MOL17309
-O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1ccc(Cl)cc1 MOL17310
-O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1ccccc1Cl MOL17311
-COc1cccc(NC(=O)CC(=O)N2N=C(n3ccc4ccccc43)CC2c2ccccc2)c1 MOL17312
-O=C(CC(=O)N1N=C(n2ccc3ccccc32)CC1c1ccccc1)Nc1cccc(Cl)c1 MOL17313
-Cc1cn(C2CC(NC(=N)NO)C(CO)O2)c(=O)[nH]c1=O MOL17314
-COc1cc2c(cc1O)CN1CCC23C=CC(O)CC13 MOL17315
-[N-]=[N+]=NC1C(O)C(O)C(O)C(O)C1O MOL17316
-NC(=O)C#CC#CC#CCO MOL17317
-Cc1cc2c(c(C(N)=O)c1C)-c1ccccc1C2=O MOL17318
-Cc1cc2c(c(C(N)=O)c1C)-c1cc(Cl)cc(Cl)c1C2=O MOL17319
-O=C1Nc2ccccc2NC1=CC(=O)c1ccccc1O MOL17320
-COc1ccc(NC(=O)C(=NO)C(C)=O)cc1 MOL17321
-COc1ccccc1OCC(COC(=O)Nc1ccc(C)cc1)OC(=O)Nc1ccc(C)cc1 MOL17322
-CC(=O)C(=NO)C(=O)NCc1ccccc1 MOL17323
-Cl.O=C1OC(O)C(Oc2c(Cl)cccc2Cl)=C1Cl MOL17324
-NC(=O)OCC(COc1ccc(Cl)cc1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL17325
-CC(=O)C(=NO)C(=O)NCCc1ccccc1 MOL17326
-O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O MOL17327
-NC(=O)OCC(COc1ccc(Cl)cc1)OC(=O)c1ccccc1Cl MOL17328
-O=C(O)C=CC(=O)Nc1ncn[nH]1 MOL17329
-Cc1cc(O)nc(CNC(=O)Cc2ccccc2)n1 MOL17330
-CCC(=O)CCC1=Nc2nnc(CCCCc3nnc4n3C(=O)C(CCC(=O)CC)=N4)n2C1=O MOL17331
-CCOC=C1N=C(c2ccccc2Br)OC1=O MOL17332
-CCC=C1N=C(c2ccc(Cl)cc2)OC1=O MOL17333
-CC1=Nc2ccccc2SC(c2c(Cl)cccc2Cl)C1 MOL17334
-Clc1ccc(C2=Nc3ccccc3SC(c3ccc(Cl)c(Cl)c3)C2)c(Cl)c1 MOL17335
-O=C1C2Nc3ccccc3SC2C(=O)N1c1ccc(Br)cc1 MOL17336
-CCOC=C1N=C(C(Cl)c2ccccc2)OC1=O MOL17337
-CCOC=C1N=C(c2ccc(Cl)c(Cl)c2)OC1=O MOL17338
-CC1(c2ccc(Cl)cc2)C2C(=O)NC(=O)C1C(=O)NC2=O MOL17339
-O=C1NC(=O)C2C(=O)NC(=O)C1C2(c1ccccc1)c1ccc(Cl)cc1 MOL17340
-CC1(c2cccc(N)c2)C2C(=O)NC(=O)C1C(=O)NC2=O MOL17341
-CC1(c2ccc(F)cc2)C(C#N)C(=O)NC(=O)C1C#N MOL17342
-CC1(c2cccc([N+](=O)[O-])c2)C(C#N)C(=O)NC(=O)C1C#N MOL17343
-O=C1NC(=O)C2C(=O)NC(=O)C1C2(c1ccccc1)c1cc[nH]c1 MOL17344
-COC(=O)C(C#N)=C1c2ccccc2Oc2ccccc21 MOL17345
-CC1(c2ccccc2Cl)C(C#N)C(=O)NC(=O)C1C#N MOL17346
-CCCCCC1C2C(=O)NC(=O)C1C(=O)NC2=O MOL17347
-CC1(c2ccc(F)cc2)C2C(=O)NC(=O)C1C(=O)NC2=O MOL17348
-COC(=O)C(C#N)=C1CCc2ccccc21 MOL17349
-Cc1ccc(S(=O)(=O)n2nc(Oc3ccc(Cl)c(Cl)c3)[nH]c2=N)cc1 MOL17350
-O=C1NC(=O)C2C(=O)NC(=O)C1C2Cc1ccco1 MOL17351
-Clc1ccc(C2=Nc3ccccc3SC(c3cccs3)C2)cc1 MOL17352
-CC1CC(c2cccc3c2OCO3)=Nc2ccccc2S1 MOL17353
-Cc1ccc(C(=O)C(C2=Nc3n[nH]c(=N)n3C2=O)C2=Nc3n[nH]c(=N)n3C2=O)cc1 MOL17354
-COC(=O)C(CCCCCCCC(C(=O)OC)C1=Nc2n[nH]c(=N)n2C1=O)C1=Nc2n[nH]c(=N)n2C1=O MOL17355
-CC(=S)NNC(=O)c1ccncc1 MOL17356
-OCC(O)COc1ccc(F)cc1 MOL17357
-CC(C)c1cc(OCC(O)CO)cc(C(C)C)c1 MOL17358
-Cc1ccc(S(=O)(=O)N(NC(=N)Oc2ccc(Cl)cc2)C(=N)Oc2ccc(Cl)cc2)cc1 MOL17359
-OCC(O)COc1c(Cl)ccc(Cl)c1Cl MOL17360
-COC(=O)C(=O)C1CCCCC(C2=NC3NNC(=N)N3C2=O)C1=O MOL17361
-Cc1cc(O)nc(CNC(=O)c2ccc3ccccc3c2)n1 MOL17362
-O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1O)c1cccc([N+](=O)[O-])c1 MOL17363
-O=S1c2ccccc2N=C(c2ccc(Cl)cc2)CC1c1cccs1 MOL17364
-CC1CC(c2ccc(Cl)c(Cl)c2)=Nc2ccccc2S1 MOL17365
-Cc1cc(O)nc(CNC(=O)c2cccc3ccccc23)n1 MOL17366
-O=C(O)C(Cl)=C(Cl)C(=O)c1ccccc1 MOL17367
-O=C(C=Cc1ccccc1)NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O MOL17368
-O=C1C2Nc3ccccc3SC2C(=O)N1c1cccc([N+](=O)[O-])c1 MOL17369
-Cc1cc(O)nc(CNC(=O)c2cccc(C(=O)NCc3cc(O)nc(C)n3)c2)n1 MOL17370
-CC(=O)C(=NO)C(=O)Nc1ccc(Cl)cc1Cl MOL17371
-N#CC1=C(O)NC(O)=C(C#N)C1c1ccc(Cl)cc1Cl MOL17372
-CCOC(=O)C(=Cc1cccc(F)c1)C(=O)OCC MOL17373
-CCOC(=O)C(=Cc1ccc(Cl)cc1)P(=O)(OCC)OCC MOL17374
-CCOC(=O)C(=Cc1cccc(F)c1)P(=O)(OCC)OCC MOL17375
-CCOC(=O)C(=Cc1cccc(Cl)c1)C(C)=O MOL17376
-CCOC(=O)C(=Cc1cccc(C#N)c1)C(C)=O MOL17377
-CCOC(=O)C(C#N)=Cc1cccc(F)c1 MOL17378
-CCOC(=O)C(C#N)=Cc1ccc(C#N)cc1 MOL17379
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(F)cc1 MOL17380
-N#CC(=Cc1cccc(C#N)c1)c1ccccc1 MOL17381
-CC(=O)C(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1 MOL17382
-CC(=O)C(=Cc1ccc(C#N)cc1)C(=O)c1ccccc1 MOL17383
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(Cl)cc1 MOL17384
-N#Cc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 MOL17385
-CC1(C)OC(=O)C(=Cc2ccc(F)cc2)C(=O)O1 MOL17386
-CC1(C)OC(=O)C(=Cc2ccccc2F)C(=O)O1 MOL17387
-CC1(C)OC(=O)C(=Cc2cccc(C#N)c2)C(=O)O1 MOL17388
-CC1=NC(=Cc2ccc(N(C)C)cc2)C(=O)O1 MOL17389
-COc1ccc(C=C2N=C(C)OC2=O)cc1 MOL17390
-CC1=NC(=Cc2ccc(C)cc2)C(=O)O1 MOL17391
-CC1=NC(=Cc2ccc(-c3ccccc3)cc2)C(=O)O1 MOL17392
-CC1=NC(=Cc2ccc(F)cc2)C(=O)O1 MOL17393
-CC1=NC(=Cc2ccccc2)C(=O)O1 MOL17394
-CC1=NC(=Cc2ccc(Cl)cc2)C(=O)O1 MOL17395
-CC1=NC(=Cc2ccc(Br)cc2)C(=O)O1 MOL17396
-CC1=NC(=Cc2ccccc2C)C(=O)O1 MOL17397
-CC1=NC(=Cc2cccc(F)c2)C(=O)O1 MOL17398
-CC1=NC(=Cc2cccc(Cl)c2)C(=O)O1 MOL17399
-CC1=NC(=Cc2ccccc2F)C(=O)O1 MOL17400
-CC1=NC(=Cc2cccc(Br)c2)C(=O)O1 MOL17401
-CC1=NC(=Cc2ccccc2Cl)C(=O)O1 MOL17402
-CC1=NC(=Cc2cccc(C#N)c2)C(=O)O1 MOL17403
-CC1=NC(=Cc2ccccc2Br)C(=O)O1 MOL17404
-CC1=NC(=Cc2ccc(C#N)cc2)C(=O)O1 MOL17405
-CC1=NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 MOL17406
-CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1 MOL17407
-CN(C)c1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1 MOL17408
-CCOC(=O)C(=Cc1ccc(OC)cc1)C(=O)c1ccccc1 MOL17409
-COc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1 MOL17410
-CCOC(=O)C(=Cc1ccc(C)cc1)C(=O)c1ccccc1 MOL17411
-Cc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1 MOL17412
-CCOC(=O)C(=Cc1ccc(F)cc1)C(=O)c1ccccc1 MOL17413
-O=C(C(=Cc1ccc(F)cc1)c1ccccc1)c1ccccc1 MOL17414
-COc1ccccc1C=C(C(=O)c1ccccc1)c1ccccc1 MOL17415
-CCOC(=O)C(=Cc1ccccc1)C(=O)c1ccccc1 MOL17416
-CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)c1ccccc1 MOL17417
-O=C(C(=Cc1ccc(Br)cc1)c1ccccc1)c1ccccc1 MOL17418
-CCOC(=O)C(=Cc1cccc(Cl)c1)C(=O)c1ccccc1 MOL17419
-O=C(C(=Cc1cccc(Cl)c1)c1ccccc1)c1ccccc1 MOL17420
-O=C(C(=Cc1ccccc1Cl)c1ccccc1)c1ccccc1 MOL17421
-N#Cc1cccc(C=C(C(=O)c2ccccc2)c2ccccc2)c1 MOL17422
-O=C(C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 MOL17423
-CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 MOL17424
-O=C(C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 MOL17425
-CC(=O)N1CCSC(C(=O)Nc2ccccc2)=C1C MOL17426
-CC(C)C1COC2CCC(=O)N21 MOL17427
-COC(Cc1ccccc1)NC(=O)C12CCCCC1C=Cc1ccccc12 MOL17428
-CC(=Nc1ccccc1S)c1c(O)ccc2c(C)cc(=O)oc12 MOL17429
-CC(=Nc1ccccc1C(=O)O)c1c(O)ccc2c(C)cc(=O)oc12 MOL17430
-O=C(C=Nc1ccccc1C(=O)O)c1ccco1 MOL17431
-O=C(C=Nc1ccccc1S)c1cccs1 MOL17432
-O=C1[OH+][Cu-5]234([O+]=C(c5ccco5)C=[N+]2c2ccccc21)[O+]=C(c1ccco1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL17433
-O=C1[OH+][Ni-4]234([O+]=C(c5ccco5)C=[N+]2c2ccccc21)[O+]=C(c1ccco1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL17434
-O=C1[OH+][Co-4]234([O+]=C(c5ccco5)C=[N+]2c2ccccc21)[O+]=C(c1ccco1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL17435
-O=C1[OH+][Zn-4]234([O+]=C(c5ccco5)C=[N+]2c2ccccc21)[O+]=C(c1ccco1)C=[N+]3c1ccccc1C(=O)[OH+]4 MOL17436
-C1=[N+]2c3ccccc3[SH+][Cu-5]234([O+]=C1c1cccs1)[O+]=C(c1cccs1)C=[N+]3c1ccccc1[SH+]4 MOL17437
-C1=[N+]2c3ccccc3[SH+][Co-4]234([O+]=C1c1cccs1)[O+]=C(c1cccs1)C=[N+]3c1ccccc1[SH+]4 MOL17438
-CC1=[N+]2c3ccccc3[SH+][Cu-3]2(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17439
-CC1=[N+]2c3ccccc3[SH+][Ni-2]2(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17440
-CC1=[N+]2c3ccccc3C(=O)[OH+][Cu-3]2(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17441
-CC1=[N+]2c3ccccc3C(=O)[OH+][Ni-2]2(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17442
-CC1=[N+]2c3ccccc3[SH+][Co-4]2(O)(O)(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17443
-CC1=[N+]2c3ccccc3C(=O)[OH+][Co-4]2(O)(O)(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17444
-CC1=[N+]2c3ccccc3C(=O)[OH+][Zn-4]2(O)(O)(O)[OH+]c2ccc3c(C)cc(=O)oc3c21 MOL17445
-O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(Cl)cc1)C1C(=O)N(c2ccc(Cl)cc2)C(=O)C31 MOL17446
-O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc(Br)cc1)C1C(=O)N(c2ccc(Br)cc2)C(=O)C31 MOL17447
-COc1cccc(N2C(=O)C3C4C=C5c6ccccc6N(c6ccccc6)C5(C3C2=O)C2C(=O)N(c3cccc(OC)c3)C(=O)C42)c1 MOL17448
-CN1C(=O)C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C1=O)C1C(=O)N(C)C(=O)C31 MOL17449
-Cc1[nH]c2ccccc2c1C1Cc2ccccc2N1C(=O)C(Cl)=Cc1ccccc1 MOL17450
-Cc1cccc2c1N(C(=O)C=CC(=O)O)C(c1c(C)[nH]c3ccccc13)C2 MOL17451
-CC(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])c(C(Cl)=Cc3ccccc3)cc12 MOL17452
-O=[N+]([O-])c1cc([N+](=O)[O-])c(C(Cl)C(Cl)c2ccccc2)cc1C(Cl)C(Cl)c1ccccc1 MOL17453
-O=[N+]([O-])c1ccc(C(Cl)=Cc2ccc(C=C(Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL17454
-O=[N+]([O-])c1ccc(C(Cl)C(Cl)c2ccc(C(Cl)C(Cl)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 MOL17455
-O=C1C2C=CC(C2)C(c2ccc(O)cc2)N1O MOL17456
-O=C1NC(c2ccc(O)cc2)C2CCC1C2 MOL17457
-COC(=O)C1=C(C(=O)OC)C23CC1C1C(C(=O)OC)=C(C(=O)OC)C12C1C=CC3C2C(=O)OC(=O)C21 MOL17458
-Cc1cc2c(c3c1c1ccccc1n3C)C(=O)c1ccccc1C2=O MOL17459
-COC(=O)C1=C(C(=O)OC)C2(C)Nc3ccccc3C2=C(c2ccccc2)C1 MOL17460
-CC12Nc3ccccc3C1=C(c1ccccc1)CC1C(=O)OC(=O)C12 MOL17461
-COC(=O)C12CC(c3ccccc31)C1C(=O)OC(=O)C12 MOL17462
-COC(=O)C1=C(C(=O)OC)C23C=CC=CC24C(C(=O)OC)=C(C(=O)OC)C4C1C3 MOL17463
-[O-][n+]1c(-c2ccccc2)oc2ccccc21 MOL17464
-CC1(C)Oc2ccccc2[N+]([O-])=C1c1ccccc1 MOL17465
-[O-][N+]1=C(c2ccccc2)COc2ccccc21 MOL17466
-O=c1c(O)c(-c2ccccc2)n(O)c2ccc(Cl)cc12 MOL17467
-COc1ccc(C2NC(c3ccc(OC)cc3)C(C)C(=O)C2C)cc1 MOL17468
-O=C(O)CC1C(=O)OC2C(COC(=O)c3cc(O)c(O)c(O)c3)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c4c3C1C(O)C(=O)O4)C2OC(=O)c1cc(O)c(O)c(O)c1 MOL17469
-O=C(O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c4c2C1C(O)C(=O)O4)C(OC(=O)c1cc(O)c(O)c(O)c1)O3 MOL17470
-O=C1OCC2OC(O)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O MOL17471
-O=C1OC2C(O)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c5oc(=O)c6c(c(O)c(O)c7oc(=O)c4c5c76)-c4c(cc(O)c(O)c4O)C(=O)OC3C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O MOL17472
-O=C1OC(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c65)-c3c(cc(O)c(O)c3O)C(=O)OCC2O)C2OC(=O)c3c(c(O)c(O)c(O)c3C2O)-c2c1cc(O)c(O)c2O MOL17473
-O=C(OC1Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 MOL17474
-CN(C)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 MOL17475
-Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 MOL17476
-O=C1NC(=O)C(=Cc2ccc(-c3ccccc3)cc2)C(=O)N1 MOL17477
-Cc1cccc(C=C2C(=O)NC(=O)NC2=O)c1 MOL17478
-O=C1NC(=O)C(=Cc2ccc(F)cc2)C(=O)N1 MOL17479
-COc1ccccc1C=C1C(=O)NC(=O)NC1=O MOL17480
-O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1 MOL17481
-COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1 MOL17482
-O=C1NC(=O)C(=Cc2ccc(Cl)cc2)C(=O)N1 MOL17483
-Cc1ccccc1C=C1C(=O)NC(=O)NC1=O MOL17484
-O=C1NC(=O)C(=Cc2cccc(F)c2)C(=O)N1 MOL17485
-O=C1NC(=O)C(=Cc2cccc(Cl)c2)C(=O)N1 MOL17486
-O=C1NC(=O)C(=Cc2ccccc2F)C(=O)N1 MOL17487
-O=C1NC(=O)C(=Cc2cccc(Br)c2)C(=O)N1 MOL17488
-O=C1NC(=O)C(=Cc2ccccc2Cl)C(=O)N1 MOL17489
-O=C1NC(=O)C(=Cc2ccccc2Br)C(=O)N1 MOL17490
-N#Cc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 MOL17491
-O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1 MOL17492
-O=C1NC(=O)C(=Cc2ccccc2[N+](=O)[O-])C(=O)N1 MOL17493
-CN(C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 MOL17494
-COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 MOL17495
-COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 MOL17496
-O=C1C(=Cc2ccc(Cl)cc2)C(=O)c2ccccc21 MOL17497
-O=C1C(=Cc2cccc(F)c2)C(=O)c2ccccc21 MOL17498
-O=C1C(=Cc2cccc(Br)c2)C(=O)c2ccccc21 MOL17499
-N#Cc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 MOL17500
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 MOL17501
-COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1 MOL17502
-COc1ccccc1C=C1C(=O)OC(C)(C)OC1=O MOL17503
-COc1cccc(C=C2C(=O)OC(C)(C)OC2=O)c1 MOL17504
-CC1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1 MOL17505
-CC1(C)OC(=O)C(=Cc2ccc(Br)cc2)C(=O)O1 MOL17506
-CC1(C)OC(=O)C(=Cc2cccc(F)c2)C(=O)O1 MOL17507
-CC1(C)OC(=O)C(=Cc2cccc(Cl)c2)C(=O)O1 MOL17508
-CC1(C)OC(=O)C(=Cc2cccc(Br)c2)C(=O)O1 MOL17509
-CC1(C)OC(=O)C(=Cc2ccccc2Br)C(=O)O1 MOL17510
-CC1(C)OC(=O)C(=Cc2ccc(C#N)cc2)C(=O)O1 MOL17511
-CC1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1 MOL17512
-CC(C)=CCN1Cc2c(Cl)ccc3[nH]c(=S)n(c23)CC1C MOL17513
-CC(C)=CCN1Cc2cccc([N+](=O)[O-])c2NCC1C MOL17514
-COC(=O)C1=C2Nc3ccccc3C23CCN2C(=O)CC(C1)C23 MOL17515
-CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1 MOL17516
-CC(C)N1CC2CN(Cc3ccccc3)CC(C1)C2=O MOL17517
-O=C1C2CN(Cc3ccccc3)CC1CN(Cc1ccccc1)C2 MOL17518
-O=C1C2CSCC1CN(Cc1ccccc1)C2 MOL17519
-COc1c(Cc2ccccc2O)c(O)c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c1C(=O)CCc1ccccc1 MOL17520
-O=C(OCC12OC1C=CC(OC(=O)c1ccccc1)C2O)c1ccccc1 MOL17521
-CCOC(=O)CC1COc2ccc3c(c21)OCO3 MOL17522
-COc1cc(O)c2c(c1)OC1OCCC21 MOL17523
-COc1c(I)c(OC)c2c(c1I)OC1OCCC21 MOL17524
-O=C(Nc1ccccc1)OCc1nc2c([nH]1)C(=O)C=CC2=O MOL17525
-OC1C(=Cc2ccccc2)CNCC1=Cc1ccccc1 MOL17526
-Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCCC2)CC1=Cc1ccccc1 MOL17527
-Cl.O=C1C(=Cc2ccccc2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccccc1 MOL17528
-C[N+]1(C)CC(=Cc2ccc(O)cc2)C(=O)C(=Cc2ccc(O)cc2)C1.[IH2+] MOL17529
-C[N+]1(C)CC(=Cc2ccncc2)C(=O)C(=Cc2ccncc2)C1.[I-] MOL17530
-C[N+]1(C)CC(=CC=Cc2ccccc2)C(=O)C(=CC=Cc2ccccc2)C1.[IH2+] MOL17531
-CN(C)c1ccc(C=CC(=O)C=Cc2ccc(N(C)C)cc2)cc1 MOL17532
-ON=C1C(=Cc2ccc3c(c2)OCCO3)CCCC1C(NO)c1ccc2c(c1)OCCO2 MOL17533
-O=C1C(=Cc2ccc3c(c2)OCCO3)CCCC1=Cc1ccc2c(c1)OCCO2 MOL17534
-CN(C)c1ccc(C=CC(=O)C(C)(C)C)cc1 MOL17535
-COc1ccc(C=CC(=O)C(C)(C)C)cc1 MOL17536
-CC(C)(C)C(=O)C=Cc1ccc(-c2ccccc2)cc1 MOL17537
-COc1ccccc1C=CC(=O)C(C)(C)C MOL17538
-COc1cccc(C=CC(=O)C(C)(C)C)c1 MOL17539
-CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1 MOL17540
-CC(C)(C)C(=O)C=Cc1ccc(Br)cc1 MOL17541
-CC(C)(C)C(=O)C=Cc1cccc(F)c1 MOL17542
-CC(C)(C)C(=O)C=Cc1ccccc1F MOL17543
-CC(C)(C)C(=O)C=Cc1ccccc1Cl MOL17544
-CC(C)(C)C(=O)C=Cc1cccc(C#N)c1 MOL17545
-CC(C)(C)C(=O)C=Cc1cccc([N+](=O)[O-])c1 MOL17546
-CC(C)(C)C(=O)C=Cc1ccc(C#N)cc1 MOL17547
-CC(C)(C)C(=O)C=Cc1ccc([N+](=O)[O-])cc1 MOL17548
-CCOC(=O)C=Cc1ccc(N(C)C)cc1 MOL17549
-CCOC(=O)C=Cc1ccc(OC)cc1 MOL17550
-CCOC(=O)C=Cc1ccc(F)cc1 MOL17551
-CCOC(=O)C=Cc1ccccc1OC MOL17552
-CCOC(=O)C=Cc1cccc(OC)c1 MOL17553
-CCOC(=O)C=Cc1ccc(Br)cc1 MOL17554
-CCOC(=O)C=Cc1cccc(F)c1 MOL17555
-CCOC(=O)C=Cc1cccc(Cl)c1 MOL17556
-CCOC(=O)C=Cc1ccccc1Cl MOL17557
-CCOC(=O)C=Cc1cccc(C#N)c1 MOL17558
-CCOC(=O)C=Cc1ccccc1Br MOL17559
-CCOC(=O)C=Cc1ccc(C#N)cc1 MOL17560
-CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1 MOL17561
-CN(C)c1ccc(C=C2CCc3ccccc3C2=O)cc1 MOL17562
-CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1 MOL17563
-COc1ccc(C=C2CCc3ccccc3C2=O)cc1 MOL17564
-COc1ccc(C=C2Cc3ccccc3C2=O)cc1 MOL17565
-O=C1C(=Cc2ccc(F)cc2)CCc2ccccc21 MOL17566
-O=C1C(=Cc2ccc(F)cc2)Cc2ccccc21 MOL17567
-COc1ccccc1C=C1CCc2ccccc2C1=O MOL17568
-COc1ccccc1C=C1Cc2ccccc2C1=O MOL17569
-COc1cccc(C=C2CCc3ccccc3C2=O)c1 MOL17570
-COc1cccc(C=C2Cc3ccccc3C2=O)c1 MOL17571
-O=C1C(=Cc2ccc(Cl)cc2)CCc2ccccc21 MOL17572
-O=C1C(=Cc2ccc(Cl)cc2)Cc2ccccc21 MOL17573
-O=C1C(=Cc2cccc(F)c2)CCc2ccccc21 MOL17574
-O=C1C(=Cc2cccc(F)c2)Cc2ccccc21 MOL17575
-O=C1C(=Cc2cccc(Cl)c2)CCc2ccccc21 MOL17576
-O=C1C(=Cc2cccc(Cl)c2)Cc2ccccc21 MOL17577
-O=C1C(=Cc2ccccc2F)CCc2ccccc21 MOL17578
-O=C1C(=Cc2ccccc2F)Cc2ccccc21 MOL17579
-O=C1C(=Cc2ccccc2Cl)CCc2ccccc21 MOL17580
-O=C1C(=Cc2ccccc2Cl)Cc2ccccc21 MOL17581
-N#Cc1cccc(C=C2CCc3ccccc3C2=O)c1 MOL17582
-N#Cc1cccc(C=C2Cc3ccccc3C2=O)c1 MOL17583
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCc2ccccc21 MOL17584
-N#Cc1ccc(C=C2CCc3ccccc3C2=O)cc1 MOL17585
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CCc2ccccc21 MOL17586
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 MOL17587
-CC(C)CCCC(C)C1CCC2C3CC(OC4OC(CO)C(O)C(O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.[NaH] MOL17588
-CC12CCC(O)CC1=CCC1C2CCC2(C)C(COS(=O)(=O)O)CCC12.[NaH] MOL17589
-CC12CCC3C(CCC4CC(OS(=O)(=O)O)CCC43C)C1CCC2CO.[NaH] MOL17590
-COC(=O)NC(=O)c1cn(C2CCCCC2)c(=O)[nH]c1=O MOL17591
-CCOC(=O)NC(=O)c1cn(C2CCCCC2)c(=O)n(C)c1=O MOL17592
-N=C(N)C1=C(O)NC(=O)N(C2CCCCC2)C1 MOL17593
-O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccc(Br)cc2)CC(c2cccc3ccccc23)N1 MOL17594
-O=C1Nc2cc(Cl)ccc2N=CC1NC(=O)C(c1ccccc1)c1ccccc1Cl MOL17595
-CC(=O)C=Cc1ccc(C)cc1 MOL17596
-O=C1Nc2ccccc2N=CC1NC(=O)C(c1ccccc1)c1ccccc1 MOL17597
-O=C(C=Cc1c(O)ccc2ccccc12)c1cccc(O)c1 MOL17598
-Nc1cccc(C(=O)C=Cc2ccccc2O)c1 MOL17599
-O=C(C=Cc1ccccc1)C=Cc1ccccc1O MOL17600
-O=C(C=Cc1c(O)ccc2ccccc12)c1cccc2ccccc12 MOL17601
-O=C(C=Cc1ccccc1O)c1ccc(O)cc1O MOL17602
-O=C(C=Cc1c(O)ccc2ccccc12)c1ccccc1 MOL17603
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1 MOL17604
-OCC(O)COc1c(Cl)cc(Cl)cc1Cl MOL17605
-COc1ccc(C2CC(C)=Nc3c(O)nc(S)nc3N2)cc1 MOL17606
-CSC(=S)NNC(=O)c1ccncc1 MOL17607
-CC1=Nc2c(O)nc(S)nc2NC(c2ccc(Cl)c(Cl)c2)C1 MOL17608
-N=C(NNS(=O)(=O)c1ccccc1)Oc1ccc(Br)cc1Br MOL17609
-C=CC1(c2ccccc2Cl)NC(=COCC)CO1 MOL17610
-O=C(C=Cc1ccccc1O)C(c1ccccc1)c1ccccc1 MOL17611
-CC(=O)Nc1ccc(OCC(O)CO)cc1 MOL17612
-O=C(O)C=CC(=O)c1ccc(Cl)cc1 MOL17613
-CCCCCCCCCCCC(=O)OC(COC(N)=O)COc1ccc(Cl)cc1 MOL17614
-CCCC[Sn]1(CCCC)OCC(COc2c(Cl)cc(Cl)cc2Cl)O1 MOL17615
-O=C(O)c1cc(Cl)cc(NC(=O)C(Cl)Cl)c1Cl MOL17616
-CCCCNC(=O)OCC(COc1ccccc1OC)OC(=O)NCCCC MOL17617
-COc1ccc(OC)c(C(=O)C=CC(=O)O)c1 MOL17618
-CCc1ccccc1NC(=O)C(=NO)C(C)=O MOL17619
-C[Sn]1(C)OCC(COc2cc(Cl)c(Cl)cc2Cl)O1 MOL17620
-N#CC1=C(O)NC(O)=C(C#N)C1c1ccc(C2C(C#N)=C(O)NC(O)=C2C#N)cc1 MOL17621
-O=C(C=Cc1ccccc1O)c1cccc(O)c1 MOL17622
-O=C(C=Cc1ccccc1O)c1ccccc1O MOL17623
-CC(=O)OCC1OC(N=[N+]=[NH2+])C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL17624
-O=C(C=Cc1c(O)ccc2ccccc12)c1ccccc1Cl MOL17625
-N=c1[nH]nc2nc(CC(=O)C=Cc3ccccc3)c(=O)[nH]n12 MOL17626
-N=c1[nH]nc(CCc2n[nH]c(=N)[nH]2)[nH]1 MOL17627
-N#CCC(=O)NC1C2CC3CC(C2)CC1C3 MOL17628
-COc1ccc(C2=Nc3ccccc3SC(C)C2)cc1 MOL17629
-O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2ccc(Cl)c(Cl)c2)cc1C=Cc1ccc(Cl)c(Cl)c1 MOL17630
-COc1cc(N=Nc2ccccc2C(=O)O)cc(C=NNC(=O)c2cccnc2)c1O MOL17631
-COc1cc(N=Nc2ccccc2)cc(C=NNC(=O)c2cccnc2)c1O MOL17632
-CC(=O)c1ccc(NC(=S)NN)cc1 MOL17633
-CC(=O)c1ccc(NC(=S)NN)cc1.Cl MOL17634
-O=C(Sc1nnnn1-c1ccccc1)Sc1nnnn1-c1ccccc1 MOL17635
-CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2C3=c3oc(-c4ccc(O)cc4)c4c3=C(C(=O)C(C3CC(OC5CCC(OC6CC(O)C(O)C(C)O6)C(C)O5)C(O)C(C)O3)=C4)C2O)CCC1O MOL17636
-CC(=O)c1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)C=C2 MOL17637
-Cl.c1ccc2c(c1)[nH]c1c2nc2sccn21 MOL17638
-Cn1c(=O)c2c(c3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)n(C)c1=O MOL17639
-CC1OC(n2cc(F)c(=O)[nH]c2=O)C=CC1=O MOL17640
-COc1cc(CC(=O)O)c([N+](=O)[O-])cc1OC MOL17641
-C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(CC4NC(=O)C(C)C4=CC)c(C)c3CCC(=O)O)C(CC(=O)O)=C2C)NC1=O MOL17642
-Cc1ccc(C2=Nc3ccc(F)cc3SC(C(=O)O)C2)cc1 MOL17643
-COc1c(-c2ccccc2)nc2ccc(Oc3ccccc3)nn12 MOL17644
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7cc8ccccc8cc7c(SCC)n6CCC)n5)ccc4C3CCC21C MOL17645
-Clc1cc(Cc2cc(Cl)c(Cl)c3c2OCOC3)c2c(c1Cl)COCO2 MOL17646
-CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)P1(=O)c1ccccc1 MOL17647
-CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1 MOL17648
-COc1ccc(C=CC(=O)c2ccccc2)cc1 MOL17649
-COc1ccccc1C=CC(=O)c1ccccc1 MOL17650
-COc1cccc(C=CC(=O)c2ccccc2)c1 MOL17651
-O=C(C=Cc1ccc(Cl)cc1)c1ccccc1 MOL17652
-N#CC=Cc1ccc(Cl)cc1 MOL17653
-O=C(C=Cc1ccc(Br)cc1)c1ccccc1 MOL17654
-O=C(C=Cc1cccc(F)c1)c1ccccc1 MOL17655
-N#CC=Cc1cccc(F)c1 MOL17656
-O=C(C=Cc1cccc(Cl)c1)c1ccccc1 MOL17657
-N#CC=Cc1cccc(Cl)c1 MOL17658
-O=C(C=Cc1ccccc1F)c1ccccc1 MOL17659
-O=C(C=Cc1cccc(Br)c1)c1ccccc1 MOL17660
-N#CC=Cc1cccc(Br)c1 MOL17661
-O=C(C=Cc1ccccc1Cl)c1ccccc1 MOL17662
-N#Cc1cccc(C=CC(=O)c2ccccc2)c1 MOL17663
-N#CC=Cc1cccc(C#N)c1 MOL17664
-O=C(C=Cc1cccc([N+](=O)[O-])c1)c1ccccc1 MOL17665
-N#Cc1ccc(C=CC(=O)c2ccccc2)cc1 MOL17666
-N#CC=Cc1ccc(C#N)cc1 MOL17667
-O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL17668
-O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccccc1 MOL17669
-CN(C)c1ccc(C=CC#N)cc1 MOL17670
-CC(=O)C(=Cc1ccc(N(C)C)cc1)c1ccccc1 MOL17671
-COc1ccc(C=C(C(C)=O)c2ccccc2)cc1 MOL17672
-N#CC=Cc1ccc(F)cc1 MOL17673
-COc1ccccc1C=CC#N MOL17674
-COc1cccc(C=CC#N)c1 MOL17675
-N#CC=Cc1ccc(Cl)cc1 MOL17676
-CC(=O)C(=Cc1cccc(F)c1)c1ccccc1 MOL17677
-N#CC=Cc1cccc(C#N)c1 MOL17678
-N#CC=Cc1ccc(C#N)cc1 MOL17679
-CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1 MOL17680
-COc1ccc(C=C(C#N)c2ccccc2)cc1 MOL17681
-N#CC(=Cc1ccc(C#N)cc1)c1ccccc1 MOL17682
-N#CC(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL17683
-N#CC(=Cc1ccccc1[N+](=O)[O-])c1ccccc1 MOL17684
-CC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1 MOL17685
-COc1ccc(C=C(C(C)=O)C(=O)c2ccccc2)cc1 MOL17686
-CC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 MOL17687
-COc1ccccc1C=C(C(C)=O)C(=O)c1ccccc1 MOL17688
-COc1cccc(C=C(C(C)=O)C(=O)c2ccccc2)c1 MOL17689
-CC(=O)C(=Cc1ccc(Br)cc1)C(=O)c1ccccc1 MOL17690
-CC(=O)C(=Cc1cccc(F)c1)C(=O)c1ccccc1 MOL17691
-CC(=O)C(=Cc1cccc(Cl)c1)C(=O)c1ccccc1 MOL17692
-CC(=O)C(=Cc1ccccc1F)C(=O)c1ccccc1 MOL17693
-CC(=O)C(=Cc1cccc(Br)c1)C(=O)c1ccccc1 MOL17694
-CC(=O)C(=Cc1ccccc1Cl)C(=O)c1ccccc1 MOL17695
-CC(=O)C(=Cc1cccc(C#N)c1)C(=O)c1ccccc1 MOL17696
-CC(=O)C(=Cc1ccccc1Br)C(=O)c1ccccc1 MOL17697
-CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 MOL17698
-CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 MOL17699
-Nc1nc2c3c(ncn3CC(O)CO2)n1 MOL17700
-Cc1ccc(S(=O)(=O)OCC2CO2)cc1 MOL17701
-CN1C=C(C(N)=O)C2CC(O)C(NC(=O)CS(N)(=O)=O)(C(=O)O)C2C1 MOL17702
-C=C1C2CCC3(C4CC5C6(C)CCCC5(C(O4)N4CCOC46)C3C2)C1OC(C)=O MOL17703
-C=C1C2CCC3(C4CC5C6(C)CCCC5(C(O4)N4CCOC46)C3C2)C1OC(C)=O MOL17704
-Cl.O=C1OC(O)C(Oc2ccc(Cl)cc2)=C1Cl MOL17705
-O=C(O)c1ccc(NC(=O)C2C(=O)C(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 MOL17706
-CC1=Nc2c(O)nc(S)nc2NC(c2c(Cl)cccc2Cl)C1 MOL17707
-O=C(C=Cc1c(O)ccc2ccccc12)c1ccc2ccccc2c1 MOL17708
-Cc1ccc(C(=O)C=Cc2ccccc2O)c(C)c1 MOL17709
-O=C(C=Cc1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 MOL17710
-O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccc(Cl)cc1 MOL17711
-O=C(NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1ccc(Cl)cc1 MOL17712
-O=C(NC1C=Nc2ccc(Cl)cc2NC1=O)c1ccc2ccccc2c1 MOL17713
-O=S1Nc2cccc(C(F)(F)F)c2S1 MOL17714
-O=S1Nc2c(Cl)cc(Cl)c(Cl)c2S1 MOL17715
-Cc1cc(C)c2c(c1)NS(=O)S2 MOL17716
-O=C(C=Cc1ccccc1)NC1C=Nc2ccc(Cl)cc2NC1=O MOL17717
-Cc1cc2c(cc1C)NC(=O)C(NC(=O)c1ccc(Cl)cc1)C=N2 MOL17718
-O=C(NC1C=Nc2ccccc2NC1=O)c1ccccc1Cl MOL17719
-O=C(C=Cc1ccccc1Cl)NC1C=Nc2ccc([N+](=O)[O-])cc2NC1 MOL17720
-Cc1cc2c(cc1C)NC(=O)C(NC(=O)C=Cc1ccccc1)C=N2 MOL17721
-COc1ccc(C2=Nc3ccccc3SC(C)C2)cc1OC MOL17722
-CC1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2S1 MOL17723
-CC1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 MOL17724
-CCC(=O)C(C)C(=O)C(=O)C(=O)OC MOL17725
-COC(=O)C(=O)C(C(C)=O)C(=O)NCc1ccccc1 MOL17726
-O=C(C=Cc1ccccc1O)c1cccc2ccccc12 MOL17727
-O=[N+]([O-])CCc1cccc([N+](=O)[O-])c1 MOL17728
-Cc1cc(C)cc(NC(N)=S)c1 MOL17729
-CC(=O)Nc1ccc(C2=NC(=Cc3ccc(Cl)cc3)C(=O)O2)cc1 MOL17730
-Cc1nc(N)c(-c2ccccc2)s1 MOL17731
-N#CC1(C=O)c2ccccc2C=CN1C(=O)c1ccccc1 MOL17732
-Cc1cc(OCC(O)CO)ccc1-c1ccccc1 MOL17733
-O=C(O)c1csc(C(=O)O)c1 MOL17734
-N#CC1Nc2ccccc2C(O)C1O MOL17735
-N#CC1Nc2ccccc2C(O)C1O MOL17736
-NCC1Nc2ccccc2C(O)C1O MOL17737
-NCC1Nc2ccccc2C(O)C1O MOL17738
-Nc1nc(OCc2ccccc2)c2[nH]cnc2n1 MOL17739
-O=C1OCC2CCCN2Cc2ccccc21 MOL17740
-Cc1[nH]ccp1 MOL17741
-Cc1ccc(N(C(=[As]c2ccccc2)C(C)(C)C)[Si](C)(C)C)cc1 MOL17742
-CC(=O)Nc1ccc(S(=O)(=O)NN(C)S(=O)(=O)c2ccc(C)cc2)cc1 MOL17743
-CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(C)cc1 MOL17744
-CNS(=O)(=O)NNS(=O)(=O)c1ccc(C)cc1 MOL17745
-CNS(=O)(=O)NNS(=O)(=O)c1ccc(Cl)cc1 MOL17746
-CNS(=O)(=O)NNS(=O)(=O)c1ccc(F)cc1 MOL17747
-CNS(=O)(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL17748
-Cc1ccc(S(=O)(=O)NNS(C)(=O)=O)cc1 MOL17749
-CS(=O)(=O)NNS(=O)(=O)c1ccc(Cl)cc1 MOL17750
-CS(=O)(=O)NNS(=O)(=O)c1ccc(F)cc1 MOL17751
-CS(=O)(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL17752
-CS(=O)(=O)NNS(=O)(=O)c1ccccc1 MOL17753
-CNS(=O)(=O)NNS(=O)(=O)c1ccc(OC)cc1 MOL17754
-COc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1OC MOL17755
-O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(F)cc1 MOL17756
-Cc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1 MOL17757
-O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(Cl)cc1 MOL17758
-O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL17759
-CC(=O)Nc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1 MOL17760
-COc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1 MOL17761
-CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O MOL17762
-Cl.Cn1cc(NC(=O)c2cc(NC(=O)CCC(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)cn2C)cc1C(=O)NCCC(=N)N MOL17763
-C=CCn1c(=O)c(C(=O)NC(=O)OCC)cn(C2CCCCC2)c1=O MOL17764
-CCOC(=O)NC(=O)c1cnc(O)nc1O MOL17765
-[Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2-c2c([P+](Cc3ccccc3)(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1 MOL17766
-[Br-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2-c2c([P+](Cc3ccccc3)(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1 MOL17767
-S=C(NN=Cc1ccccc1)Nc1ccc(Oc2ccc(NC(=S)NN=Cc3ccccc3)cc2)cc1 MOL17768
-COc1ccc2nc3ccccc3c(NCCCCCN(CCCl)CCCl)c2c1.Cl MOL17769
-CCCCC(C)C=CC(O)=C1C(=O)OC(=CC(=O)O)C1=O MOL17770
-CCCCC1(C)C=CC(=C2C(=O)OC(=CC(=O)O)C2=O)O1 MOL17771
-C=CC(C)(C)C12CC3C(=O)NC(Cc4ccccc4)C(=O)N3C1N(C(C)=O)c1ccccc12 MOL17772
-CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(=O)OCC MOL17773
-CCOC(=O)C(=Cc1ccc(N(C)C)cc1)P(=O)(OCC)OCC MOL17774
-CCOC(=O)C(=Cc1ccc(OC)cc1)P(=O)(OCC)OCC MOL17775
-CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)OCC MOL17776
-CCOC(=O)C(=Cc1ccc(F)cc1)P(=O)(OCC)OCC MOL17777
-CCOC(=O)C(=Cc1ccccc1OC)C(=O)OCC MOL17778
-CCOC(=O)C(=Cc1cccc(OC)c1)C(=O)OCC MOL17779
-CCOC(=O)C(=Cc1cccc(OC)c1)P(=O)(OCC)OCC MOL17780
-CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC MOL17781
-CCOC(=O)C(=Cc1ccc(Br)cc1)P(=O)(OCC)OCC MOL17782
-CCOC(=O)C(=Cc1cccc(Cl)c1)C(=O)OCC MOL17783
-CCOC(=O)C(=Cc1cccc(Cl)c1)P(=O)(OCC)OCC MOL17784
-CCOC(=O)C(=Cc1ccccc1F)C(=O)OCC MOL17785
-CCOC(=O)C(=Cc1cccc(Br)c1)C(=O)OCC MOL17786
-CCOC(=O)C(=Cc1cccc(Br)c1)P(=O)(OCC)OCC MOL17787
-CCOC(=O)C(=Cc1ccccc1Cl)P(=O)(OCC)OCC MOL17788
-CCOC(=O)C(=Cc1cccc(C#N)c1)C(=O)OCC MOL17789
-CCOC(=O)C(=Cc1cccc(C#N)c1)P(=O)(OCC)OCC MOL17790
-CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OCC MOL17791
-CCOC(=O)C(=Cc1ccc(C#N)cc1)C(=O)OCC MOL17792
-CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)P(=O)(OCC)OCC MOL17793
-CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(=O)OCC MOL17794
-CC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O MOL17795
-COc1ccc(C=C(C(C)=O)C(C)=O)cc1 MOL17796
-CC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(C)=O MOL17797
-CC(=O)C(=Cc1cccc(C)c1)C(C)=O MOL17798
-CC(=O)C(=Cc1ccc(F)cc1)C(C)=O MOL17799
-COc1cccc(C=C(C(C)=O)C(C)=O)c1 MOL17800
-CC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O MOL17801
-CC(=O)C(=Cc1ccc(Br)cc1)C(C)=O MOL17802
-CC(=O)C(=Cc1cccc(F)c1)C(C)=O MOL17803
-CC(=O)C(=Cc1cccc(Cl)c1)C(C)=O MOL17804
-CC(=O)C(=Cc1cccc(Br)c1)C(C)=O MOL17805
-CC(=O)C(=Cc1cccc(C#N)c1)C(C)=O MOL17806
-CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O MOL17807
-CC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O MOL17808
-CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O MOL17809
-COc1ccc(C=NO)cc1OC MOL17810
-CC1NOC(=O)C1N=Nc1ccc(Cl)cc1Cl MOL17811
-CC1NOC(=O)C1N=Nc1cccc(Cl)c1 MOL17812
-O=C(O)C(=O)C=Cc1ccc(Cl)cc1 MOL17813
-N=C(NNS(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1 MOL17814
-CC1=NOC(=O)C1=Cc1ccc([N+](=O)[O-])cc1 MOL17815
-CC1=NOC(=O)C1=Cc1ccccc1O MOL17816
-ON=Cc1ccc(O)c(O)c1 MOL17817
-COC(=O)C(=O)C(C(C)=O)C(=O)NCc1ccc(OC)c(OC)c1 MOL17818
-CC1=NOC(=O)C1=Cc1cccc2ccccc12 MOL17819
-CC1NOC(=O)C1N=Nc1ccccc1Br MOL17820
-CC1NOC(=O)C1N=Nc1ccccc1Cl MOL17821
-CC(=O)CC(=O)N(CCN(C(=O)CC(C)=O)c1ccccc1)c1ccccc1 MOL17822
-CC(C)(C)C(=O)C1CC(=O)c2ccccc2C1=O MOL17823
-O=C1OC(c2ccccc2)=NC1=Cc1ccc2c(c1)OCO2 MOL17824
-COc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1OC MOL17825
-COc1c(Cl)c([Hg]OC(C)=O)c(NCC(C)=O)c(OC)c1[Hg]OC(C)=O MOL17826
-CCc1cccc(C)c1NC(=O)NS(=O)(=O)c1ccc(C)cc1 MOL17827
-CC1CC(c2ccccc2)=Nc2ccccc2S1(=O)=O MOL17828
-CC(=O)NC(=Cc1ccc(Cc2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O MOL17829
-Cc1ccc(S(=O)(=O)NC(=O)Nc2nc(Cl)cc(Cl)n2)cc1 MOL17830
-Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1 MOL17831
-OCC1C(O)C(O)C2C(O)CCN12 MOL17832
-N#CC(C#N)=c1ccc(=C(C#N)C#N)c2nsnc12 MOL17833
-Nc1c(Cl)cccc1-c1c[nH]c(Cl)c1Cl MOL17834
-CCCCC=CCc1[nH]c2ccccc2c(=O)c1C MOL17835
-O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl MOL17836
-CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C3(O)C(C)OC(=O)C3C)C12 MOL17837
-O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]c(Cl)c1Cl MOL17838
-Nc1c(Cl)cccc1-c1c[nH]cc1Cl MOL17839
-CCOC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O MOL17840
-CCOC(=O)C(C#N)=Cc1ccc(N(C)C)cc1 MOL17841
-CCOC(=O)C(=Cc1ccc(OC)cc1)C(C)=O MOL17842
-CCOC(=O)C(C#N)=Cc1ccc(OC)cc1 MOL17843
-CCOC(=O)C(=Cc1ccc(C)cc1)C(C)=O MOL17844
-CCOC(=O)C(C#N)=Cc1ccc(C)cc1 MOL17845
-CCOC(=O)C(=Cc1ccc(-c2ccccc2)cc1)C(C)=O MOL17846
-CCOC(=O)C(C#N)=Cc1ccc(-c2ccccc2)cc1 MOL17847
-CCOC(=O)C(=Cc1cccc(C)c1)C(C)=O MOL17848
-CCOC(=O)C(C#N)=Cc1cccc(C)c1 MOL17849
-CCOC(=O)C(=Cc1ccc(F)cc1)C(C)=O MOL17850
-CCOC(=O)C(C#N)=Cc1ccc(F)cc1 MOL17851
-CCOC(=O)C(C#N)=Cc1ccccc1OC MOL17852
-CCOC(=O)C(=Cc1cccc(OC)c1)C(C)=O MOL17853
-CCOC(=O)C(C#N)=Cc1cccc(OC)c1 MOL17854
-CCOC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O MOL17855
-CCOC(=O)C(C#N)=Cc1ccc(Cl)cc1 MOL17856
-CCOC(=O)C(=Cc1ccc(Br)cc1)C(C)=O MOL17857
-CCOC(=O)C(C#N)=Cc1ccc(Br)cc1 MOL17858
-CCOC(=O)C(=Cc1cccc(F)c1)C(C)=O MOL17859
-CCOC(=O)C(C#N)=Cc1cccc(Cl)c1 MOL17860
-CCOC(=O)C(C#N)=Cc1ccccc1F MOL17861
-CCOC(=O)C(=Cc1cccc(Br)c1)C(C)=O MOL17862
-CCOC(=O)C(C#N)=Cc1cccc(Br)c1 MOL17863
-CCOC(=O)C(C#N)=Cc1ccccc1Cl MOL17864
-CCOC(=O)C(C#N)=Cc1ccccc1Br MOL17865
-CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(C)=O MOL17866
-CCOC(=O)C(C#N)=Cc1cccc([N+](=O)[O-])c1 MOL17867
-CCOC(=O)C(=Cc1ccc(C#N)cc1)C(C)=O MOL17868
-CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(C)=O MOL17869
-CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1 MOL17870
-CCOC(=O)C(C#N)=Cc1ccccc1[N+](=O)[O-] MOL17871
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(N(C)C)cc1 MOL17872
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC)cc1 MOL17873
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(C)c1 MOL17874
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(OC)c1 MOL17875
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(Br)cc1 MOL17876
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(F)c1 MOL17877
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(Cl)c1 MOL17878
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(Br)c1 MOL17879
-CCOP(=O)(OCC)C(C#N)=Cc1ccccc1Cl MOL17880
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(C#N)c1 MOL17881
-CCOP(=O)(OCC)C(C#N)=Cc1cccc([N+](=O)[O-])c1 MOL17882
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(C#N)cc1 MOL17883
-CCOP(=O)(OCC)C(C#N)=Cc1ccc([N+](=O)[O-])cc1 MOL17884
-COc1ccc(C=C(C#N)C#N)cc1 MOL17885
-N#CC(C#N)=Cc1ccc(F)cc1 MOL17886
-COc1ccccc1C=C(C#N)C#N MOL17887
-COc1cccc(C=C(C#N)C#N)c1 MOL17888
-N#CC(C#N)=Cc1ccc(Cl)cc1 MOL17889
-N#CC(C#N)=Cc1ccc(Br)cc1 MOL17890
-N#CC(C#N)=Cc1cccc(F)c1 MOL17891
-N#CC(C#N)=Cc1cccc(Cl)c1 MOL17892
-N#CC(C#N)=Cc1ccccc1F MOL17893
-N#CC(C#N)=Cc1cccc(Br)c1 MOL17894
-N#CC(C#N)=Cc1ccccc1Cl MOL17895
-N#CC(C#N)=Cc1cccc(C#N)c1 MOL17896
-N#CC(C#N)=Cc1ccccc1Br MOL17897
-N#CC(C#N)=Cc1cccc([N+](=O)[O-])c1 MOL17898
-N#CC(C#N)=Cc1ccc(C#N)cc1 MOL17899
-N#CC(C#N)=Cc1ccc([N+](=O)[O-])cc1 MOL17900
-N#CC(C#N)=Cc1ccccc1[N+](=O)[O-] MOL17901
-CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 MOL17902
-COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 MOL17903
-Cc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1 MOL17904
-N#CC(=Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 MOL17905
-Cc1cccc(C=C(C#N)C(=O)c2ccccc2)c1 MOL17906
-N#CC(=Cc1ccc(F)cc1)C(=O)c1ccccc1 MOL17907
-N#CC(=Cc1ccccc1)C(=O)c1ccccc1 MOL17908
-COc1cccc(C=C(C#N)C(=O)c2ccccc2)c1 MOL17909
-N#CC(=Cc1ccc(Cl)cc1)C(=O)c1ccccc1 MOL17910
-N#CC(=Cc1ccc(Br)cc1)C(=O)c1ccccc1 MOL17911
-N#CC(=Cc1cccc(F)c1)C(=O)c1ccccc1 MOL17912
-N#CC(=Cc1cccc(Cl)c1)C(=O)c1ccccc1 MOL17913
-N#CC(=Cc1cccc(Br)c1)C(=O)c1ccccc1 MOL17914
-N#CC(=Cc1ccccc1Cl)C(=O)c1ccccc1 MOL17915
-N#CC(=Cc1cccc(C#N)c1)C(=O)c1ccccc1 MOL17916
-N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 MOL17917
-N#CC(=Cc1ccc(C#N)cc1)C(=O)c1ccccc1 MOL17918
-N#CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 MOL17919
-CCOC(=O)c1ccc(CSc2ccccc2)c([N+](=O)[O-])c1 MOL17920
-CCOC(=O)c1ccc(CSc2ccc(OC)cc2)c([N+](=O)[O-])c1 MOL17921
-CCOC(=O)c1ccc(CSc2ccc(N)cc2)c([N+](=O)[O-])c1 MOL17922
-CCOC(=O)c1ccc(CSc2ccccc2)cc1 MOL17923
-CCOC(=O)c1ccc(CSc2ccc(OC)cc2)cc1 MOL17924
-CCOC(=O)c1ccc(CSc2ccc(N)cc2)cc1 MOL17925
-COC(=O)c1ccc(CSc2ccc(OC)cc2)cc1 MOL17926
-COC(=O)c1ccc(CSc2ccc(N)cc2)cc1 MOL17927
-CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)cc1 MOL17928
-CCOC(=O)c1ccc(CS(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 MOL17929
-O=C1C=CC(=CC(O)COC(=O)c2ccccc2)O1 MOL17930
-CC(=O)OC(C=C1C=CC(=O)O1)COC(=O)c1ccccc1 MOL17931
-COC(=O)C=CC(=O)C=CCOC(=O)c1ccccc1 MOL17932
-COC(=O)C=CC(=O)CC(O)COC(=O)c1ccccc1 MOL17933
-CCC(COC(C=C1C=CC(=O)O1)COC(=O)c1ccccc1)c1ccccc1 MOL17934
-COC(=O)C=CC(=O)C=CCOC(=O)c1ccccc1 MOL17935
-COc1cc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL17936
-Cc1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1.Cl MOL17937
-COc1cc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc(OC)c1OC MOL17938
-Clc1cc(Cl)cc(Nc2nc3ccccc3nc2-c2cccs2)c1 MOL17939
-COc1cc(Nc2nc3ccccc3nc2-c2cccs2)cc(OC)c1OC MOL17940
-Clc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1Cl MOL17941
-FC(F)(F)c1ccc2nc(Nc3ccc(Cl)c(Cl)c3)c(-c3ccccc3)nc2c1 MOL17942
-COc1cc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc(OC)c1OC MOL17943
-Clc1ccc(CNc2nc3ccccc3nc2-c2cccs2)c(Cl)c1 MOL17944
-COc1ccc(CNc2nc3ccccc3nc2-c2cccs2)cc1OC MOL17945
-FC(F)(F)c1ccc2nc(NCc3ccccc3)c(-c3ccccc3)nc2c1 MOL17946
-COc1ccc(CNc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC MOL17947
-NC1CCCCC1.O=C(O)C(CP(=O)(O)O)=C(Cl)Cl MOL17948
-O=C(O)c1c2c(cc3c(=O)c4ccccc4[nH]c13)CCCC2 MOL17949
-Cc1cc2c(=O)cc(-c3ccncc3)oc2c(C(=O)O)c1C MOL17950
-Cc1cc2c(=O)cc(-c3ccncc3)oc2c(C(N)=O)c1C MOL17951
-Cc1cc2c(=O)c(C)n[nH]c2c(C#N)c1C MOL17952
-Cc1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2c(C#N)c1C MOL17953
-Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C#N)c1C MOL17954
-Cc1cc2c(CC(=O)O)n[nH]c2c(C(=O)O)c1C MOL17955
-Cc1cc2c(C)n(Cc3ccc(Cl)cc3Cl)nc2c(C(=O)O)c1C MOL17956
-Cc1cc2c(C)nn(Cc3ccccc3)c2c(C(=O)O)c1C MOL17957
-Cc1cc2c(C)nn(Cc3ccc(Cl)cc3)c2c(C#N)c1C MOL17958
-Cc1cc2c(C)n(Cc3ccccc3Cl)nc2c(C(=O)O)c1C MOL17959
-Cc1cc2c(C)nn(Cc3ccccc3Cl)c2c(C#N)c1C MOL17960
-CCOC(=O)Cn1c2ccccc2c(=O)c2cc(C)c(C)c(C#N)c21 MOL17961
-N#Cc1c(-c2ccccc2)c(-c2ccccc2)cc2c(=O)c3ccc(Cl)cc3[nH]c12 MOL17962
-O=S1(=O)c2ccccc2N=C(c2ccccc2Cl)CC1c1ccc(F)cc1 MOL17963
-CC1CC(C2=CC=CCS2)=Nc2ccccc2S1 MOL17964
-CCN(CC)CC(=N)N(CC)c1ccccc1 MOL17965
-CCN(C(C)=N)c1ccccc1 MOL17966
-CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OCC1=NNC(=O)Cc1ccccc1 MOL17967
-Cc1cccc(C(C)(C)C)c1NC(=O)C(C#N)C1=C(Cl)C(=O)c2ccccc2C1=O MOL17968
-CCOC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)OCC1=NNS(=O)(=O)c1ccc(C)cc1 MOL17969
-CCCCNC1=C(C(=O)OCC)C(=NNC(=O)c2ccccc2O)CO1 MOL17970
-CCOc1ccccc1NC(=O)C=C1NC(=O)CS1 MOL17971
-O=C(C=C1NC(=O)CS1)Nc1ccccc1 MOL17972
-CCOC(=O)C1=C(Nc2ccc(Br)cc2)OCC1=NNC(=O)c1ccccc1O MOL17973
-CCc1ccccc1NC(=O)CC1NC(=O)CS1 MOL17974
-CCOC(=O)C1=C(NC)OCC1=NNC(=O)c1ccccc1O MOL17975
-CCOC(=O)C1=C(Nc2ccccc2)OCC1=NNC(=O)Cc1ccccc1 MOL17976
-Nc1ccccc1C(=O)C=Cc1ccccc1O MOL17977
-CSc1nnc(CCC(=O)Nc2c(C)cccc2C)o1 MOL17978
-N#CC(C(=O)Nc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O MOL17979
-COc1ccc(-c2[nH]c(=N)n(C)c2SSc2c(-c3ccc(OC)cc3)[nH]c(=N)n2C)cc1.Cl MOL17980
-O=[N+]([O-])c1cnn(C2=CNc3ccccc3N=C2)c1 MOL17981
-C=C1C(=O)OC2C1CC1OC1(C)CCC=C(C)CCCC(C)C2OC(C)=O MOL17982
-C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C MOL17983
-CCC12CCC(=O)N3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32 MOL17984
-COC(=O)C1=C2Nc3ccccc3C23CCN2CCC(=O)CC(C1)C23 MOL17985
-Cc1coc(C)c1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 MOL17986
-O=C1CCCC2(C1)Cc1ccccc1N2 MOL17987
-CCOC(=O)NC(=O)c1cn(CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCn2cc(C(=O)NC(=O)OCC)c(=O)n(C)c2=O)c(=O)n(C)c1=O MOL17988
-Nc1nc(O)c2c(ncn2CCO)n1 MOL17989
-O=C(Nc1nc(O)c2c(ncn2CCOC(=O)c2ccccc2)n1)c1ccccc1 MOL17990
-O=C(Nc1nc(S)c2c(ncn2CCOC(=O)c2ccccc2)n1)c1ccccc1 MOL17991
-Nc1nc(S)c2c(ncn2CCO)n1 MOL17992
-Nc1nc(O)c2c(ncn2CC(O)CO)n1 MOL17993
-Nc1nc(S)c2c(ncn2CC(O)CO)n1 MOL17994
-O=C(Nc1nc(O)c2c(ncn2CCO)n1)c1ccccc1 MOL17995
-Cc1ccc(S(=O)(=O)OCCn2cnc3nc(NC(=O)c4ccccc4)nc(O)c32)cc1 MOL17996
-CS(=O)(=O)OCCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21 MOL17997
-O=C(Nc1nc(S)c2c(ncn2CCO)n1)c1ccccc1 MOL17998
-O=C(Nc1nc(O)c2c(ncn2CCNCc2ccccc2)n1)c1ccccc1 MOL17999
-N=c1ccn(CCO)c(=O)[nH]1 MOL18000
-O=C(Nc1ccn(CCO)c(=O)n1)c1ccccc1 MOL18001
-N=c1ccn(CCOC(=O)c2ccccc2)c(=O)[nH]1 MOL18002
-O=C(Nc1ccn(CCOC(=O)c2ccccc2)c(=O)n1)c1ccccc1 MOL18003
-CN(C)C=Nc1nc(O)c2c(ncn2CCOC(=O)c2ccccc2)n1 MOL18004
-O=c1nc(NC2CCCCO2)ccn1CCO MOL18005
-Nc1nc(O)c(N=O)c(NCCO)n1 MOL18006
-CN(C)C=Nc1ccnc(O)n1.[NaH] MOL18007
-O=C(Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1)c1ccccc1 MOL18008
-O=C(Nc1nc(O)c2c(ncn2CCI)n1)c1ccccc1 MOL18009
-COc1ccc(C(=O)Nc2ccn(CCOC(=O)c3ccc(OC)cc3)c(=O)n2)cc1 MOL18010
-Nc1nc2c(c(O)[nH+]1)[n+](CCO)cn2C1OC(CO)C(O)C1O MOL18011
-Cc1ccc(S(=O)(=O)OC(C=O)C(O)C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL18012
-O=C(Nc1nc(O)c2c(ncn2CC(COc2ccccc2)OC(=O)c2ccccc2)n1)c1ccccc1 MOL18013
-Nc1nc(O)c2c(ncn2CC(O)COC(=O)c2ccccc2)n1 MOL18014
-CC(C)C(=O)Nc1nc(O)c2nc[nH]c2n1 MOL18015
-CCC(=O)Nc1nc(O)c2ncn(C3OC(COC(=O)CC)C(OC(=O)CC)C3OC(=O)CC)c2n1 MOL18016
-CC(C)C(=O)Nc1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2n1 MOL18017
-N=C(Nc1nc(-c2ccccn2)cc2ccccc12)c1ccccn1 MOL18018
-CC1CC2=C(C(=O)O1)C(c1ccccc1)Nc1ccccc1N2 MOL18019
-CCOC(=O)N1CCN(P(=O)(Nc2ccc3[nH]c(NC(=O)OC)nc3c2)Oc2ccccc2)CC1 MOL18020
-OC1CCC(Cl)C2=C1C13CC14OCCC3OC2C4Cl MOL18021
-CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1 MOL18022
-Cc1cccc(-c2nnc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n23)c1 MOL18023
-CC(=NNC(=O)C(N)=O)C(CC(C(=O)Nc1ccccc1C)C(C)=NNC(=O)C(N)=O)C(=O)Nc1ccccc1C MOL18024
-Cc1nc(Nc2ccccc2)sc1C(=O)NNC(N)=O MOL18025
-Cc1c(Cl)cccc1NC(=O)CC1Sc2ccccc2NC1=O MOL18026
-CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccccc2O)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1 MOL18027
-Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=S)NN MOL18028
-Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL18029
-Cc1ccc(C)c(NC(=O)CC2Sc3ccccc3NC2=O)c1 MOL18030
-CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1 MOL18031
-CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccco2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 MOL18032
-COc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OC)C1c1ccc(N(C)C)cc1 MOL18033
-CCc1cccc(C)c1NC(=O)CC1Sc2ccccc2NC1=O MOL18034
-O=c1c(=Cc2ccc3c(c2)OCO3)sc2nnc(Cc3ccccc3)n12 MOL18035
-CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2F)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1 MOL18036
-CC(=O)Nc1ccc(C=c2sc3nnc(C=Cc4ccccc4)n3c2=O)cc1 MOL18037
-CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(CC(C(=O)Nc1ccccc1C)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1C MOL18038
-O=c1c(=Cc2ccc3c(c2)OCO3)sc2nnc(-c3ccco3)n12 MOL18039
-CN(C)c1ccc(C=c2sc3nnc(-c4cccnc4)n3c2=O)cc1 MOL18040
-CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 MOL18041
-Cc1cccc(-c2nnc3sc(=Cc4ccc5c(c4)OCO5)c(=O)n23)c1 MOL18042
-CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccc(O)cc2)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)N1 MOL18043
-COc1ccccc1NC(=O)C(CC(C(=O)Nc1ccccc1OC)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL18044
-CCc1cccc(CC)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc([N+](=O)[O-])cc1 MOL18045
-CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccccc2C(F)(F)F)=C(C)N1 MOL18046
-CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccco2)C(C(=O)Nc2ccc(Cl)c(Cl)c2)=C(C)N1 MOL18047
-Cc1ccc(NC(=O)CC2Sc3ccccc3NC2=O)c(C)c1 MOL18048
-Cc1ccc(-c2nnc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n23)cc1 MOL18049
-CCc1cccc(CC)c1NC(=O)C1=CNC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc(O)c(OC)c1 MOL18050
-CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccccc2Cl)C(C(=O)Nc2c(C)cccc2C)=C(C)N1 MOL18051
-CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc([N+](=O)[O-])cc1 MOL18052
-CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccccc2)cc1 MOL18053
-CC1=C(C(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(Cl)c(Cl)c2)=C(C)N1 MOL18054
-CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccccc2F)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1 MOL18055
-CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(CC(C(=O)NCc1ccccc1)C(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1 MOL18056
-COc1cc(C2C(C(=O)Nc3ccc([N+](=O)[O-])cc3)=C(C)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1O MOL18057
-CC1=C(C(=O)Nc2cc(F)c(F)cc2F)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2cc(F)c(F)cc2F)=C(C)N1 MOL18058
-CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc([N+](=O)[O-])cc1 MOL18059
-CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1cccc([N+](=O)[O-])c1 MOL18060
-CN(C)c1ccc(C=c2sc3nnc(-c4ccco4)n3c2=O)cc1 MOL18061
-CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2O)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 MOL18062
-O=c1c(=Cc2ccccc2[N+](=O)[O-])sc2nnc(-c3ccco3)n12 MOL18063
-COc1ccccc1NC(=O)C(CC(C(=O)Nc1ccccc1OC)C(C)=NNC(=O)c1ccccc1O)C(C)=NNC(=O)c1ccccc1O MOL18064
-CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccccc2F)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 MOL18065
-CN(C)c1ccc(C=c2sc3nnc(Cc4ccccc4)n3c2=O)cc1 MOL18066
-COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL18067
-COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL18068
-COC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)I MOL18069
-COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Br MOL18070
-COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Cl MOL18071
-COC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)I MOL18072
-CC1(O)N2CCCC1(c1ccccc1)CC2 MOL18073
-Cc1ccccc1C1OC(=O)c2ccccc21 MOL18074
-O=C1CC2C(CN(OCc3ccccc3)C2COC(=O)c2ccccc2)O1 MOL18075
-CCCCCCCCCCCCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N MOL18076
-CCC1=C(C)C2=[N+]3C1=CC1=C(C)C(CC)=C4C(C=O)=C5C(C)=C(CC)C6=[N+]5[Ni-2]3([NH+]3C(=C6)C(C)=C(CC)C3=C2)[NH+]14 MOL18077
-CC(C)=CCN1Cc2cc(Cl)cc3[nH]c(=S)n(c23)CC1C MOL18078
-O=C1N[Se](=O)c2ccccc21 MOL18079
-CN(C)C=Nc1ccn(CCO)c(=O)n1 MOL18080
-c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 MOL18081
-CSc1nc(-c2ccccc2)nc(N2CCOCC2)[s+]1.[IH2+] MOL18082
-CN.CN1C(=O)[NH+](C)[B-]2([NH+](C)C1=O)[NH+](C)C(=O)N(C)C(=O)[NH+]2C MOL18083
-CCOC(=O)NC(=O)c1cn(CCCOC(=O)NCCCCCCNC(=O)OCCCn2c(=O)c(C(=O)NC(=O)OCC)cn(C)c2=O)c(=O)n(C)c1=O MOL18084
-CCOC(=O)c1c[nH]c2c(ccc3ncccc32)c1=O MOL18085
-O=C(O)c1c[nH]c2c(ccc3ncccc32)c1=O MOL18086
-O=c1cc[nH]c2c1ccc1ncccc12 MOL18087
-CCOC(=O)c1cnc2c(ccc3ncccc32)c1OCC MOL18088
-CCOC(=O)c1cnc2c(ccc3ncccc32)c1Cl MOL18089
-Nc1nc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2cccc3ccccc23)n1 MOL18090
-COc1ccc(C(=NNC(=O)NN)C(c2ccc(OC)cc2)C2(O)CNc3c(Cl)cc(Cl)cc32)cc1 MOL18091
-Nc1nc(N)c(-c2ccc(Cl)cc2)c(CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 MOL18092
-CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccccc1Cl MOL18093
-CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccc(NC(C)=O)cc1 MOL18094
-CC(=O)Nc1ccc(C=c2sc3nnc(-c4cccnc4)n3c2=O)cc1 MOL18095
-Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1cccc2c(O)nnc(O)c12 MOL18096
-Cc1nc(Nc2ccccc2)sc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL18097
-Cc1nc(Nc2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C MOL18098
-CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc2c(c1)OCO2 MOL18099
-CC1=C(C(=O)Nc2cccc(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cccc(Cl)c2)=C(C)N1 MOL18100
-CCOc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O MOL18101
-CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc(O)c(OC)c2)cc1 MOL18102
-Cc1nc(Nc2ccccc2)sc1C(=O)CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 MOL18103
-Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)NNC(=O)C(=O)NN MOL18104
-Cc1cccc(C(C)C)c1N1C(=O)C(=O)C(c2nc3ccccc3o2)C(=O)C1=O MOL18105
-CCOc1ccc(NC(=O)CCc2nnc(SC)o2)cc1 MOL18106
-CCOC(=O)C1=C(Nc2ccccc2)SCC1=NNC(=O)Cc1ccccc1 MOL18107
-O=C(C=Cc1ccccc1O)c1ccccc1Cl MOL18108
-O=C(C=Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1 MOL18109
-CCOC(=O)C1=C(NC(C)(C)C)OCC1=NNC(=O)Cc1ccccc1 MOL18110
-CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)OCC1=NNS(=O)(=O)c1ccc(C)cc1 MOL18111
-Cc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] MOL18112
-CCOC(=O)C1=C(Nc2cccc3ccccc23)OCC1=NNC(=O)c1ccccc1O MOL18113
-CCOC(=O)C(=O)NNc1nc2c(s1)C(=O)c1ccccc1C2=O MOL18114
-O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1C(F)(F)F MOL18115
-Cc1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 MOL18116
-O=C(Cc1nc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl MOL18117
-CCCCN(CCCC)C(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2o1 MOL18118
-CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2ccco2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1 MOL18119
-CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1 MOL18120
-CC1=C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2cc(=O)n(C)c(=O)n2C)=C(C)N1 MOL18121
-CCc1cccc(C)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(C)cccc2CC)C1c1ccc2c(c1)OCO2 MOL18122
-CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc2c(c1)OCO2 MOL18123
-CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 MOL18124
-CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 MOL18125
-CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1ccc2c(c1)OCO2 MOL18126
-CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2ccc(N(C)C)cc2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C(C)N1 MOL18127
-CCOc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(OCC)cc3)C2c2ccc([N+](=O)[O-])cc2)cc1 MOL18128
-CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=C(C(=O)OCC)C1c1ccccc1O MOL18129
-COc1cccc(C2C(C(=O)Nc3cc(=O)n(C)c(=O)n3C)=C(C)NC(C)=C2C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1O MOL18130
-CCc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2CC)C1c1cccc([N+](=O)[O-])c1 MOL18131
-CCOc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2OCC)C1c1ccc(NC(C)=O)cc1 MOL18132
-COc1cc(C2C(C(=O)Nc3ccc(Cl)c(Cl)c3)=C(C)NC(C)=C2C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O MOL18133
-COc1cc(C2C(C(=O)Nc3cc(F)c(F)cc3F)=C(C)NC(C)=C2C(=O)Nc2cc(F)c(F)cc2F)ccc1O MOL18134
-CC1=C(C(=O)Nc2ccc(C)cc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1 MOL18135
-CC1=C(C(=O)Nc2c(C)cccc2C)C(c2ccc3c(c2)OCO3)C(C(=O)Nc2c(C)cccc2C)=C(C)N1 MOL18136
-CC1=Nc2ccccc2NC(c2ccoc2)C1 MOL18137
-CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)NC(c2ccncc2)C1 MOL18138
-CC(=O)C=Cc1ccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)cc1 MOL18139
-CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)NC(c2cccc3c2CCC3)C1 MOL18140
-COc1cccc(C2CC(C)=Nc3c(ccc4c3C(=O)c3ccccc3C4=O)N2)c1O MOL18141
-O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O MOL18142
-O=C1C=C(Nc2ccccc2)c2ccccc2C1=O MOL18143
-O=C1C=C(Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2C1=O MOL18144
-NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 MOL18145
-O=C1C=C(Nc2cc(Cl)ccc2Cl)c2ccccc2C1=O MOL18146
-O=C1C=C(Nc2ccccc2C(=O)c2ccccc2)c2ccccc2C1=O MOL18147
-Cc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 MOL18148
-CCc1cccc(CC)c1NC1=CC(=O)C(=O)c2ccccc21 MOL18149
-O=C1C=C(Nc2cccnc2)c2ccccc2C1=O MOL18150
-Cc1cc(Br)ccc1NC1=CC(=O)C(=O)c2ccccc21 MOL18151
-O=C1C=C(NCCc2ccccc2)c2ccccc2C1=O MOL18152
-CCOc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 MOL18153
-O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=O MOL18154
-O=C1C=C(Nc2ccc(Cl)cc2Cl)c2ccccc2C1=O MOL18155
-COc1cc2c(c(OC)c1OC)-c1ccc(NCCCNc3ccc4c(cc3=O)C(NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)c(=O)cc1C(NC(C)=O)CC2 MOL18156
-CC1=CC(=O)C2C(C)C(=O)C3C(C)(C(=O)C45OC(=O)CC3(C)C4(C)CCC34CC(C)CC(CN35)O4)C2C1 MOL18157
-CC1=[N+]2[N-]C(N)=[S+][Ga-3]234([S+]=C(N)[N-][N+]3=C(C)c2cccc[n+]24)[n+]2ccccc21.[Cl-] MOL18158
-CCN(CC)CCCC(C)Nc1c(Sc2cnc3cc(Cl)ccc3c2NC(C)CCCN(CC)CC)cnc2cc(Cl)ccc12.Cl MOL18159
-CN1C(=O)N(C)P12(Cl)N(C)C(=O)N2C MOL18160
-NCCCCCS(=O)(=O)O MOL18161
-CS(C)=[O+][Ru-4]([ClH+])([ClH+])([ClH+])([ClH+])[n+]1cc2ccccc2[n-]1.[Na+] MOL18162
-C=C1CC(CCCl)(c2ccccc2)OC1=O MOL18163
-C=C1CC2(OC1=O)c1ccccc1CCc1ccccc12 MOL18164
-C=C1CC2(OC1=O)c1ccccc1C=Cc1ccccc12 MOL18165
-Cl.O=C1OC(c2ccccc2)(c2ccccc2)CC1CN1CCOCC1 MOL18166
-CCOC(=O)N1CCN(C=S)CC1 MOL18167
-Cc1ccc(S(=O)(=O)N2CCN(C=S)CC2)cc1 MOL18168
-CCN(CC)C(=O)N1CCN(C=S)CC1 MOL18169
-CC(=O)SC(SC(C)=O)SC(C)=O MOL18170
-O=C(O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 MOL18171
-CCOC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 MOL18172
-NC(=O)Cn1c(=O)[nH]c(=O)c2[nH]cnc21 MOL18173
-O=C(O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1 MOL18174
-CCOC(=O)Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1 MOL18175
-Cn1c(=O)c2[nH]cnc2n(CC(=O)O)c1=O MOL18176
-CCOC(=O)Cn1c(=O)n(C)c(=O)c2[nH]cnc21 MOL18177
-Cn1c(=O)c2[nH]cnc2n(CC(N)=O)c1=O MOL18178
-CCOC(=O)Cn1c(=O)n(C)c(=O)c2c1ncn2Cc1ccccc1 MOL18179
-CCN(CC)c1oc(N(CC)CC)c(C(=O)Nc2ccccn2)c(=O)c1C(C)=O MOL18180
-CCOC(=O)CC(=Nc1cc(C)on1)N(CC)CC.[O-][Cl+3]([O-])([O-])O MOL18181
-CCN(c1ccc(Br)cc1)c1c(Br)c(=O)nc2ccccn12 MOL18182
-CCOC(=O)C(=O)Nc1c(N(CC)CC)n2ccccc2nc1=O.Cl MOL18183
-CCCCN(CCCC)c1c([N+](=O)[O-])c(=O)nc2ccccn12 MOL18184
-CCOC(=O)C1=C(C)N(NC(N)=O)C(C)(O)C12CCOC2=O MOL18185
-CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)C2(O)CCCC12C(=O)OCC MOL18186
-COC(=O)C1=C(C)N(NC(=O)c2cccc(Cl)c2)C(C)(O)C12CCOC2=O MOL18187
-CCOC(=O)C12CCCC1(O)N(NC(=O)c1cccc(Cl)c1)C(C)=C2C(=O)OC MOL18188
-CCOC(=O)C1=C(C)N(NC(=O)OC)C2(N)N(NC(=O)OC)C(C)=C(C(=O)OCC)C12C#N MOL18189
-CCOC(=O)C1=C(C)N(NC(N)=O)C2(N)N(NC(N)=O)C(C)=C(C(=O)OCC)C12C(=O)OCC MOL18190
-COC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OC)C12C(=O)OC MOL18191
-CCOC(=O)C1=C(C)N(NC(=O)Nc2ccccc2)C2(N)N(NC(=O)Nc3ccccc3)C(C)=C(C(=O)OCC)C12C#N MOL18192
-CCOC(=O)C1=C(C)N(NC(N)=O)C2(N)N(NC(N)=O)C(C)=C(C(=O)OCC)C12C#N MOL18193
-O=C(NC12CC3CC(NC(=O)c4ccccc4)(CC(C1)c1ccccc13)C2)c1ccccc1 MOL18194
-Clc1ccc(OCC(COc2ccccc2)Oc2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 MOL18195
-COc1ccc2c(c1)c1c3n2CCNN=C3CCC1 MOL18196
-Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=O MOL18197
-Cc1cc(N(CCC#N)S(C)(=O)=O)ccc1C=O MOL18198
-N#CCCN(c1ccc(C=O)cc1)S(=O)(=O)c1ccccc1 MOL18199
-CS(=O)(=O)N(CCC#N)c1ccc(C=O)cc1 MOL18200
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 MOL18201
-N#CCCN(CCC#N)c1ccc(C=C2N=C(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1 MOL18202
-COc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 MOL18203
-Cc1ccccc1N1C(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2)N=C1c1cc([N+](=O)[O-])ccc1Cl MOL18204
-Cc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 MOL18205
-COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(C)cc3)c2-c2ccccc2)cc1 MOL18206
-c1ccc2c(c1)cc1n2CC2CN=NC12 MOL18207
-Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(-n2ccnc2)cc1 MOL18208
-CCSc1nc2n(c(=S)n1)CCN2C.I MOL18209
-O=C1CCCN(c2ccccc2)N1 MOL18210
-CCOC(=O)NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL18211
-C=C(C)C1CC2C(C)=C(OC(C)=O)C1n1c(=O)c3cc4ccccc4cc3c(=O)n12 MOL18212
-CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C2(c3ccccc3)C(=O)C(C)CN12 MOL18213
-COCc1c(CO)cnc(C)c1OC1OC(CO)C(O)C(O)C1O MOL18214
-COc1ccc(C#CCC(OC2OC(CO)C(O)C(O)C2O)C(O)c2ccc(OC)c(OC)c2)cc1OC MOL18215
-CC(O)(c1ccc(OCCC[N+](C)(C)C)cc1)C(C)(O)c1ccc(OCCC[N+](C)(C)C)cc1.[Br-] MOL18216
-C=CC(C)(C)C12CC3C(=O)NC(CC(C)C)C(=O)N3C1N(C(C)=O)c1ccccc12 MOL18217
-O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccccc4)n3)o2)cc1 MOL18218
-Cc1ccc(Nc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cs2)cc1 MOL18219
-O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccccn4)n3)o2)cc1 MOL18220
-Cc1ccc(C2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccccc2Cl)cc1 MOL18221
-Cc1ccc(C2(O)CC(c3ccc([N+](=O)[O-])o3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 MOL18222
-O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)CC1(O)c1ccccc1 MOL18223
-O=C(COc1ccc(Br)cc1Br)N1N=C(c2ccc([N+](=O)[O-])o2)CC1(O)c1ccccc1 MOL18224
-O=C(COc1ccccc1Cl)N1N=C(c2ccccc2)CC1(O)c1ccccc1 MOL18225
-Cc1ccc(OCC(=O)N2N=C(c3ccccc3)CC2(O)c2ccccc2)cc1 MOL18226
-O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1 MOL18227
-O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)CC1(O)c1ccccc1 MOL18228
-COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)C(O)(c3ccc(Cl)cc3)C2)cc1 MOL18229
-Clc1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)cc1 MOL18230
-Cc1nnc2n1N=C(c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CS2 MOL18231
-O=[N+]([O-])c1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccc(Cl)cc4)SC3)o2)cc1 MOL18232
-O=[N+]([O-])c1ccc(-c2ccc(C3=Nn4c(CNc5ccccc5Cl)nnc4SC3)o2)cc1 MOL18233
-CCc1n[nH]c(=S)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 MOL18234
-O=[N+]([O-])c1ccc(-c2ccc(C=Nn3c(-c4ccc(Cl)cc4)n[nH]c3=S)o2)cc1 MOL18235
-S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 MOL18236
-Oc1ccccc1-c1n[nH]c(=S)n1N=Cc1ccc(-c2ccc(Br)cc2)o1 MOL18237
-CC1CCCCc2nc3c(c(=O)n21)CCCC3 MOL18238
-N#CC(=Cc1cc(O)c(O)c(O)c1)C(N)=O MOL18239
-CCOC(=O)C(=Cc1ccc(C#N)cc1)[Se]c1ccccc1 MOL18240
-CCOC(=O)C(=Cc1ccc(OC)cc1)[Se]c1ccccc1 MOL18241
-CCOC(=O)C(=Cc1ccccc1)[Se]c1ccccc1 MOL18242
-CCOC(=O)C(=Cc1ccc(C)cc1)[Se]c1ccccc1 MOL18243
-CCOC(=O)C(=Cc1ccc(F)cc1)[Se]c1ccccc1 MOL18244
-CCOC(=O)C(=Cc1ccc(Cl)cc1)[Se]c1ccccc1 MOL18245
-CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)[Se]c1ccccc1 MOL18246
-CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)[Se]c1ccccc1 MOL18247
-CCOC(=O)C(=Cc1ccc(N(C)C)cc1)[Se]c1ccccc1 MOL18248
-CCOC(=O)C(=Cc1cccc(F)c1)[Se]c1ccccc1 MOL18249
-CCOC(=O)C(=Cc1cccc(Cl)c1)[Se]c1ccccc1 MOL18250
-CCOC(=O)C(=Cc1cccc(C#N)c1)[Se]c1ccccc1 MOL18251
-CCOC(=O)C(=Cc1ccc(C(F)(F)F)cc1)[Se]c1ccccc1 MOL18252
-CCOC(=O)C(=Cc1cccc(C(F)(F)F)c1)[Se]c1ccccc1 MOL18253
-CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)[Se]c1ccccc1 MOL18254
-CCOC(=O)C(=Cc1cccc(OC)c1)[Se]c1ccccc1 MOL18255
-CCOC(=O)C(=Cc1ccc(Br)cc1)[Se]c1ccccc1 MOL18256
-CC1OC(n2cc(C(F)(F)F)c(=O)[nH]c2=O)C=CC1=O MOL18257
-CC1OC(n2ncc(=O)[nH]c2=O)C=CC1=O MOL18258
-CC1OC(n2ncc(=O)[nH]c2=O)C=CC1=O MOL18259
-COc1ccc(C2(O)CCCCC2)cc1 MOL18260
-COc1ccc(C2=CC(=O)CCC2)cc1 MOL18261
-CN(C)c1cc2ccccc2oc1=O MOL18262
-COc1cc2ccccc2oc1=O MOL18263
-O=c1oc2ccccc2cc1F MOL18264
-COC(=O)NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL18265
-O=C(NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)OCc1ccccc1 MOL18266
-CN(C)c1ccc(C=C(C#N)C(=O)O)cc1 MOL18267
-COc1cccc(C=C(C#N)C(=O)O)c1 MOL18268
-COc1ccccc1C=C(C#N)C(=O)O MOL18269
-N#CC(=Cc1ccc(F)cc1)C(=O)O MOL18270
-N#CC(=Cc1ccccc1F)C(=O)O MOL18271
-N#CC(=Cc1ccc(C#N)cc1)C(=O)O MOL18272
-N#CC(=Cc1cccc(C#N)c1)C(=O)O MOL18273
-N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)O MOL18274
-CN(C)c1ccc(C=CC(=O)O)cc1 MOL18275
-COc1ccccc1C=CC(=O)O MOL18276
-O=C(O)C=Cc1ccc([N+](=O)[O-])cc1 MOL18277
-COc1ccc(C(C)=C(C#N)C#N)cc1 MOL18278
-CC(=C(C#N)C#N)c1ccc(F)cc1 MOL18279
-O=C(O)C=Cc1ccccc1[N+](=O)[O-] MOL18280
-O=C1C2=C(CC3C(C2)C3(Br)Br)C(=O)C2=C1CC1C(C2)C1(Br)Br MOL18281
-COc1cc(Cc2c(OC)c(OC)cc(C)c2C(=O)O)cc(OC)c1 MOL18282
-CCOC(=O)C1=C(c2ccccc2)NC(c2ccccc2)=C(C(=O)OCC)c2c1c(=O)cc[nH]c2=O MOL18283
-O=C(O)CCCc1cc2c(s1)-c1cccc3cccc-2c13 MOL18284
-COc1cc2c(c(C)c1O)C1Cc3ccccc3C1O2 MOL18285
-C=CCCC(C)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 MOL18286
-CC(=O)NC(ON1C(=O)COc2ccccc21)C(Cl)(Cl)Cl MOL18287
-CN(C)c1ccc(C=C(C(=O)O)C(=O)O)cc1 MOL18288
-COc1ccc(C=C(C(=O)O)C(=O)O)cc1 MOL18289
-Cc1ccc(C=C(C(=O)O)C(=O)O)cc1 MOL18290
-O=C(O)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)O MOL18291
-O=C(O)C(=Cc1ccc(Br)cc1)C(=O)O MOL18292
-O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O MOL18293
-CCOC(=O)C(F)=Cc1ccc(OC)cc1 MOL18294
-CCOC(=O)C(F)=Cc1ccc(C)cc1 MOL18295
-CCOC(=O)C(F)=Cc1cccc(C)c1 MOL18296
-CCOC(=O)C(F)=Cc1ccc(F)cc1 MOL18297
-CCOC(=O)C(F)=Cc1cccc(F)c1 MOL18298
-CCOC(=O)C(F)=Cc1ccc(C#N)cc1 MOL18299
-CCOC(=O)C(F)=Cc1cccc(C#N)c1 MOL18300
-CCOC(=O)C(F)=Cc1ccc([N+](=O)[O-])cc1 MOL18301
-CCOC(=O)C(F)=Cc1cccc([N+](=O)[O-])c1 MOL18302
-CC(=Cc1ccc(N(C)C)cc1)C(=O)O MOL18303
-CC(=Cc1ccc(F)cc1)C(=O)O MOL18304
-CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O MOL18305
-CC(C=O)=Cc1ccc(N(C)C)cc1 MOL18306
-COc1ccc(C=C(C)C=O)cc1 MOL18307
-CC(C=O)=Cc1ccc(F)cc1 MOL18308
-CC(C=O)=Cc1cccc(F)c1 MOL18309
-CC(C=O)=Cc1ccc([N+](=O)[O-])cc1 MOL18310
-CC(C=C(C#N)C#N)=Cc1ccc(N(C)C)cc1 MOL18311
-COc1ccc(C=C(C)C=C(C#N)C#N)cc1 MOL18312
-CC(C=C(C#N)C#N)=Cc1ccc(C)cc1 MOL18313
-CC(C=C(C#N)C#N)=Cc1ccccc1 MOL18314
-CC(C=C(C#N)C#N)=Cc1ccc(F)cc1 MOL18315
-CC(C=C(C#N)C#N)=Cc1cccc(F)c1 MOL18316
-CC(C=C(C#N)C#N)=Cc1ccc([N+](=O)[O-])cc1 MOL18317
-COc1ccc(C=C(C(=O)O)c2ccccc2)cc1 MOL18318
-O=C(O)C(=Cc1ccc(F)cc1)c1ccccc1 MOL18319
-O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL18320
-CN(C)c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 MOL18321
-COc1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 MOL18322
-O=C(C(=Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1 MOL18323
-O=C(C(=Cc1ccc(F)cc1)C(=O)c1ccccc1)c1ccccc1 MOL18324
-CCCCNc1nc(C#N)c(N)s1 MOL18325
-COc1ccc(Nc2nc(C#N)c(N)s2)cc1 MOL18326
-N#Cc1nc(Nc2ccc(Cl)cc2)sc1N MOL18327
-N#Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1N MOL18328
-N#Cc1nc(Nc2cccc3ccccc23)sc1N MOL18329
-Nc1ncnc2sc(Nc3ccccc3)nc12 MOL18330
-Cc1nc(N)c2nc(Nc3ccccc3)sc2n1 MOL18331
-O=C(NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O)OCc1ccccc1 MOL18332
-N=c1[nH]cc(C=CCNC(=O)c2ccc[nH]2)[nH]1 MOL18333
-CC(=O)OC1C(C)CC2C(C)COC3(C)CCC=C(C)CC4OC3C2C41 MOL18334
-C=C(C=NN(C)C)CC1c2c(O)ccc3cccc(c23)N1S(=O)(=O)c1ccc(C)cc1 MOL18335
-COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OC)cc3)cc2)cc1 MOL18336
-CC(C)COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC(C)C)cc3)cc2)cc1 MOL18337
-CCC(C)COC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCC(C)CC)cc3)cc2)cc1 MOL18338
-CCC(C)CCOC(=O)c1ccc(N=Cc2ccc(C=Nc3ccc(C(=O)OCCC(C)CC)cc3)cc2)cc1 MOL18339
-COc1cc(NCC(C#N)C#N)ccc1N=Nc1ccc([N+](=O)[O-])cc1 MOL18340
-COc1cc(NCC(C#N)C#N)ccc1N=Nc1ccc(Cl)cc1 MOL18341
-COc1ccc(NC(=O)CC(=O)NN=Cc2ccc(N(CCC#N)S(C)(=O)=O)cc2)cc1 MOL18342
-CS(=O)(=O)N(CCC#N)c1ccc(C=NNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1 MOL18343
-COc1ccccc1NC(=O)CC(=O)NN=Cc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1 MOL18344
-COc1ccc(NC(=O)CC(=O)NN=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2)cc1 MOL18345
-N#CCCN(CCC#N)c1ccc(C=C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NN)cc1 MOL18346
-N#CCCN(CCC#N)c1ccc(C=C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)N=[N+]=[N-])cc1 MOL18347
-CCOC(=O)C(=Cc1ccc(N(CCC#N)CCC#N)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl MOL18348
-COC(=O)C(=Cc1ccc(N(CCC#N)CCC#N)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl MOL18349
-CN1C(=O)N(C)C2(O)c3ccccc3C(=O)C12O MOL18350
-O=C1N(c2ccccc2)C2(O)C(=O)c3ccccc3C2(O)N1c1ccccc1 MOL18351
-O=C1c2ccccc2C2(O)N(c3ccccc3)C(=S)N(c3ccccc3)C12O MOL18352
-N=C1NC2(O)C(=O)c3ccccc3C2(O)N1 MOL18353
-O=C1c2ccccc2C2(O)Nc3cc(O)ccc3C12O MOL18354
-O=C1c2ccccc2C2(O)Nc3c(ccc4ccccc34)C12O MOL18355
-O=C1c2ccccc2C2(O)c3cc4ccccc4cc3OC12O MOL18356
-O=C1c2ccccc2C2(O)Oc3cccc(O)c3C12O MOL18357
-COC(=O)C=Cc1c(CC=C(C)C)ncn1C MOL18358
-CCC(C)C1NC(=O)C(C(C)=O)=C1O MOL18359
-COc1cc(O)c2c(=O)oc3cc(O)cc(C)c3c2c1 MOL18360
-Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12 MOL18361
-COc1cccc2c1[OH+][Co-2]1(O)[O+]=C(N)[N-][N+]1=C2 MOL18362
-COc1cccc2c1[OH+][Ni-2]1(O)[O+]=C(N)[N-][N+]1=C2 MOL18363
-COc1cccc2c1[OH+][Cu-3]1(O)[O+]=C(N)[N-][N+]1=C2 MOL18364
-COc1cccc2c1[OH+][Zn-2]1(O)[O+]=C(N)[N-][N+]1=C2 MOL18365
-COc1cccc2c1[OH+][Pd-2]1(O)[O+]=C(N)[N-][N+]1=C2 MOL18366
-COc1cccc2c1[OH+][U+2]1(=O)(=O)(O)(O)(O)[O+]=C(N)[N-][N+]1=C2 MOL18367
-COc1cccc2c1[OH+][Co-2]1([O+]=C2)[O+]=Cc2cccc(OC)c2[OH+]1 MOL18368
-COc1cccc2c1[OH+][Ni-2]1([O+]=C2)[O+]=Cc2cccc(OC)c2[OH+]1 MOL18369
-COc1cccc2c1[OH+][Cu-3]1([O+]=C2)[O+]=Cc2cccc(OC)c2[OH+]1 MOL18370
-COc1cccc2c1[OH+][Zn-2]1([O+]=C2)[O+]=Cc2cccc(OC)c2[OH+]1 MOL18371
-COc1cccc2c1[OH+][U-5](=O)(=O)(O)(O)[O+]=C2 MOL18372
-COc1cccc2c1[OH+][Co-2]1(O)[S+]=C(N)[N-][N+]1=C2 MOL18373
-COc1cccc2c1[OH+][Co-2]1(O)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18374
-COc1cccc2c1[OH+][Ni-2]1(O)[S+]=C(N)[N-][N+]1=C2 MOL18375
-COc1cccc2c1[OH+][Ni-2]1(O)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18376
-COc1cccc2c1[OH+][Cu-3]1(O)[S+]=C(N)[N-][N+]1=C2 MOL18377
-COc1cccc2c1[OH+][Zn-2]1(O)[S+]=C(N)[N-][N+]1=C2 MOL18378
-COc1cccc2c1[OH+][Zn-2]1(O)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18379
-COc1cccc2c1[OH+][Cu-3]1([n+]3ccccc3)[O+]=C(N)[N-][N+]1=C2 MOL18380
-COc1cccc2c1[OH+][Cu-3]1([n+]3ccccc3)[S+]=C(N)[N-][N+]1=C2 MOL18381
-COc1cccc2c1[OH+][Cu-3]1([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18382
-COc1cccc2c1[OH+][Co-3]1(O)([n+]3ccccc3)[O+]=C(N)[N-][N+]1=C2 MOL18383
-COc1cccc2c1[OH+][Co-3]1(O)([n+]3ccccc3)[S+]=C(N)[N-][N+]1=C2 MOL18384
-COc1cccc2c1[OH+][Co-3]1(O)([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18385
-COc1cccc2c1[OH+][Ni-3]1(O)([n+]3ccccc3)[S+]=C(N)[N-][N+]1=C2 MOL18386
-COc1cccc2c1[OH+][Ni-2]1([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18387
-COc1cccc2c1[OH+][Pd-3]1(O)([n+]3ccccc3)[S+]=C(N)[N-][N+]1=C2 MOL18388
-COc1cccc2c1[OH+][Pd-3]1(O)([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18389
-COc1cccc2c1[OH+][Pt-3]1(O)([n+]3ccccc3)[S+]=C(Nc3ccccc3)[N-][N+]1=C2 MOL18390
-COc1cccc2c1[OH+][Ni-4]13(O)([O+]=C(N)[N-][N+]1=C2)[n+]1ccccc1-c1cccc[n+]13 MOL18391
-COc1cccc2c1[OH+][Ni-4]13(O)([S+]=C(N)[N-][N+]1=C2)[n+]1ccccc1-c1cccc[n+]13 MOL18392
-COc1cccc2c1[OH+][Ni-4]13(O)([O+]=C(N)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL18393
-COc1cccc2c1[OH+][Ni-4]13(O)([S+]=C(N)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL18394
-COc1cccc2c1[OH+][Cu-5]13(O)([O+]=C(N)[N-][N+]1=C2)[n+]1ccccc1-c1cccc[n+]13 MOL18395
-COc1cccc2c1[OH+][Cu-5]13(O)([S+]=C(N)[N-][N+]1=C2)[n+]1ccccc1-c1cccc[n+]13 MOL18396
-COc1cccc2c1[OH+][Cu-5]13(O)([O+]=C(N)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL18397
-COc1cccc2c1[OH+][Cu-5]13(O)([S+]=C(N)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL18398
-COc1cccc2c1[OH+][Ni-3]13([S+]=C(Nc4ccccc4)[N-][N+]1=C2)[n+]1ccccc1-c1cccc[n+]13 MOL18399
-COc1cccc2c1[OH+][Ni-3]13([S+]=C(Nc4ccccc4)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL18400
-COc1cccc2c1[OH+][Cu-4]13([S+]=C(Nc4ccccc4)[N-][N+]1=C2)[n+]1ccccc1-c1cccc[n+]13 MOL18401
-COc1cccc2c1[OH+][Cu-4]13([S+]=C(Nc4ccccc4)[N-][N+]1=C2)[n+]1cccc2ccc4ccc[n+]3c4c21 MOL18402
-COc1cccc2c1[OH+][Mn+2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2 MOL18403
-COc1cccc2c1[OH+][Co-2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2 MOL18404
-COc1cccc2c1[OH+][Ni-2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2 MOL18405
-COc1cccc2c1[OH+][Cu-3]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2 MOL18406
-COc1cccc2c1[OH+][Zn-2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2 MOL18407
-COc1cccc2c1[OH+][Pd-2]1(O)[O+]=C(c3ccncc3)[N-][N+]1=C2 MOL18408
-COc1cccc2c1[OH+][U]134(=O)(=O)(O)(O)([O+]=C(c5ccncc5)[N-][N+]1=C2)[O+]=C(c1ccncc1)[N-][N+]3=Cc1cccc(OC)c1[OH+]4 MOL18409
-OCC1OC(n2cnc3c(O)nc(F)nc32)C(O)C1O MOL18410
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL18411
-Cc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)c(C)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL18412
-COc1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1-c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1OC.[NaH] MOL18413
-O=S(=O)(O)c1cc(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3)cc2)c(O)c2ncccc12.[NaH] MOL18414
-COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3O)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1O.[NaH] MOL18415
-Nc1cc(N)c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(N)cc(N)cc4C(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(C(=O)O)c1.[NaH] MOL18416
-O=C(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(C(=O)O)c(O)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc2c1O.[NaH] MOL18417
-O=S(=O)(O)c1cc(N=Nc2ccc(O)c3ncccc23)ccc1C=Cc1ccc(N=Nc2ccc(O)c3ncccc23)cc1S(=O)(=O)O.[NaH] MOL18418
-O=S(=O)(O)c1ccc2c(NN=Nc3ccc(N=NNc4cccc5cc(S(=O)(=O)O)ccc45)cc3)cccc2c1.[NaH] MOL18419
-COc1cc(-c2ccc(N=Nc3cc(S(=O)(=O)O)c4ccccc4c3N)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)O)c2ccccc2c1N.[NaH] MOL18420
-Nc1cc(N)c(N=Nc2ccc(CCc3ccc(N=Nc4c(N)cc(N)cc4C(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(C(=O)O)c1.[NaH] MOL18421
-O=C(O)c1cc(N=Nc2ccc(CCc3ccc(N=Nc4cc(C(=O)O)c(O)c5ccccc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2ccccc2c1O.[NaH] MOL18422
-Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(CCc2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL18423
-O=S(=O)(O)c1cc(N=Nc2ccc(O)c3ncccc23)ccc1CCc1ccc(N=Nc2ccc(O)c3ncccc23)cc1S(=O)(=O)O.[NaH] MOL18424
-O=C1C=C2CC3C(O)CC2(O1)C1CCCN31 MOL18425
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)NC)c1)c1cc(Cl)c(OC)c(C(=O)NC)c1 MOL18426
-COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL18427
-CN1C(=O)NC2(O)c3ccccc3C(=O)C12O MOL18428
-O=C1NC2(O)c3ccccc3C(=O)C2(O)N1c1ccccc1 MOL18429
-O=C1c2ccccc2C2(O)NC(=S)N(c3ccccc3)C12O MOL18430
-O=C1c2ccccc2C(=O)C1(O)c1c[nH]c2ccccc12 MOL18431
-CN(C)CCCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl MOL18432
-CN(C)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl MOL18433
-Cl.O=c1oc2c3ccc4ccccc4c3n(CCN3CCCCC3)c2c2ccccc12 MOL18434
-Cl.O=c1oc2c3ccc4ccccc4c3n(CCCN3CCCCC3)c2c2ccccc12 MOL18435
-Cl.O=c1oc2c3ccc4ccccc4c3n(CCN3CCOCC3)c2c2ccccc12 MOL18436
-CCN(CC)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21.Cl MOL18437
-CC(C)N(CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)C(C)C.Cl MOL18438
-CC(Cn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)N(C)C MOL18439
-CN1CCN(CCn2c3c4ccccc4ccc3c3oc(=O)c4ccccc4c32)CC1.Cl MOL18440
-Cl.O=c1oc2c3ccc4ccccc4c3n(Cc3nc4ccccc4[nH]3)c2c2ccccc12 MOL18441
-O=C1NC2(O)C(=O)c3ccccc3C2(O)N1 MOL18442
-O=c1sc2ccccc2c2c1C=CCO2 MOL18443
-O=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1F MOL18444
-O=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1Cl MOL18445
-N=c1[nH]c(=O)n(C2OC(CO)CC2F)cc1Cl MOL18446
-C=C1C(=O)C23C(O)CC4C(C)(C)CCCC4(COC(C)=O)C2C(O)CC1C3O MOL18447
-C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(COC(C)=O)C2CCC1C3O MOL18448
-C=C1C2CCC3C(C2)(C(=O)C(O)C2C(C)(C)C4CC(=O)C23CO4)C1OC(C)=O MOL18449
-C=C1C2CCC3C45COC(O)(C(O)C4C(C)(C)C=CC5=O)C3(C2)C1OC(C)=O MOL18450
-CC1(O)CSc2c(C=O)c3ccccc3n21 MOL18451
-N#Cc1cn(-c2c3ccccc3nc3ccccc23)c(=O)[nH]c1=O MOL18452
-CC1OC(n2cc(I)c(=O)[nH]c2=O)C=CC1=O MOL18453
-C#Cc1c(C)c(C=CC(C)=CC=CC(C)=CC(=O)OC)n(C)c1C MOL18454
-CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)oc1C MOL18455
-COC(=O)C=C(C)C=Cc1cc(C(C)=O)c(C)o1 MOL18456
-CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)oc1-c1ccccc1 MOL18457
-C#Cc1c(C)c(C=CC(C)=CC(=O)OC)n(C)c1C MOL18458
-COC(=O)C=C(C)C=Cc1c(C)c(C(C)=O)c(C)n1C MOL18459
-CCOC(=O)c1cc(C=CC(C)=CC(=O)OC)n(C)c1C MOL18460
-COC(=O)C=C(C)C=CC1OC(C)OCC1O MOL18461
-C#Cc1c(C)c(C=CC(C)=CC(=O)OC)n(C)c1C MOL18462
-COc1cc2c(cc1O)C(=O)OC1CC=C3CC[N+](C)([O-])C3C21 MOL18463
-CCC12CCC3CCCCC3(OO1)C(OC)O2 MOL18464
-CC12CCC3CCCCC3(OO1)C(OCc1ccccc1)O2 MOL18465
-CCC1CCC23OOC(C)(CCC2C1)OC3OC MOL18466
-CCCC(O)C1(CC)CC(C)C(O)(C2(C)CC(C)C(C(CC)C(=O)C(C)C(O)C(C)C3OC(O)(C(CC)C(=O)O)C(C)C(O)C3CC)O2)O1 MOL18467
-COc1ccc(CCc2cc(OC)c(O)c(OC)c2)cc1 MOL18468
-CN1CCCC(O)C1CNC12CC3CC(CC(C3)C1)C2.Cl MOL18469
-CN(CC1NCCCC1O)C12CC3CC(CC(C3)C1)C2 MOL18470
-COc1ccc(C(c2ccccc2C(=O)O)c2ccc(OC)c3ccccc23)c2ccccc12 MOL18471
-COc1ccc2ccccc2c1C1OC(=O)c2ccccc21 MOL18472
-CCCCCCC=CCCCCCCCc1cccc(O)c1C(=O)O MOL18473
-C=CCC=CCC=CCCCCCCCc1cccc(O)c1C(=O)O MOL18474
-COC(=O)C1=COC(O)C2CCCC12 MOL18475
-CC1=C(C(=S)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1 MOL18476
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(C)C)c1 MOL18477
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC2CC2)c1 MOL18478
-CC(C)=CCN1Cc2c(F)ccc3[nH]c(=S)n(c23)CC1C MOL18479
-O=C(O)c1ccc(N=Nc2ccc(CCc3ccc(N=Nc4ccc(C(=O)O)cc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c1.[NaH] MOL18480
-O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(CCc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL18481
-Clc1ccc(CCc2ccncn2)c(Cl)c1 MOL18482
-Cn1ccnc1CCc1ccc(Cl)cc1Cl MOL18483
-CN(C)C(=O)OC(Cn1cncn1)c1ccc(Cl)cc1Cl MOL18484
-CN(C)C(=S)OC(Cn1cncn1)c1ccc(Cl)cc1Cl MOL18485
-Brc1ccccc1CCc1ncc[nH]1 MOL18486
-Brc1ccc(CCc2ncc[nH]2)cc1 MOL18487
-COc1ccc(CCc2ncc[nH]2)cc1 MOL18488
-COc1ccc(CCc2ncc[nH]2)cc1OC MOL18489
-COC(=O)C(N)CSSCC(N)C(=O)OC.Cl MOL18490
-CCOCC=NCC(=O)OCC MOL18491
-O=C(CC1NCCS1)OCc1ccc(Br)cc1 MOL18492
-CCOC(=O)C=CSCCC(=O)O MOL18493
-CCOC(=O)C=CSCCC(=O)OC MOL18494
-CCOC(=O)C=CSCCC(=O)OC MOL18495
-CCOC(=O)C(Br)=CSCCC(=O)O MOL18496
-CCOC(=O)C=CSCCNC(=O)OCC MOL18497
-Cl.NCCSC=CC(=O)OCc1ccc(Br)cc1 MOL18498
-Cl.NCCSC=CC(=O)OCc1ccc(Br)cc1 MOL18499
-CCOC(=O)C=CSCC(N)C(=O)O MOL18500
-NCCSC=CC(=O)O MOL18501
-O=C(CNC(=O)c1ccccc1)NC(CSCc1ccccc1)C(=O)O MOL18502
-CCOC(=S)Sc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] MOL18503
-COC(=O)C(CSSCC(NC(=O)CNC(=O)c1ccccc1)C(=O)OC)NC(=O)CNC(=O)c1ccccc1 MOL18504
-CCN(CC)C(=O)C(C)=O MOL18505
-O=[N+]([O-])c1ccc(N(CCS(=O)O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL18506
-O=[N+]([O-])c1ccc(NCCS(=O)(=O)O)c([N+](=O)[O-])c1.[NaH] MOL18507
-O=C(O)C(CS(=O)(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].[NaH] MOL18508
-O=[N+]([O-])c1ccc(NCCSSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL18509
-O=[N+]([O-])c1ccc(N(CCS)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL18510
-COC(=O)C(N)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Cl MOL18511
-NC(CSCc1ccccc1)C(=O)O MOL18512
-NC(CCC(=O)NC(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O MOL18513
-COC1=C(OC)CCC(C(C#N)=Cc2ccc(OC)c(OC)c2)=C1 MOL18514
-COc1ccc(C=C(C#N)c2ccccc2)cc1OC MOL18515
-COc1ccc(C(C#N)=Cc2ccc(OC)c(OC)c2)cc1 MOL18516
-N#CC(=Cc1c(Cl)cccc1Cl)c1ccccc1 MOL18517
-COc1ccccc1C=C(C#N)c1ccccc1 MOL18518
-c1ccc2c(c1)cc(C1NCCc3[nH]cnc31)c1ccccc12 MOL18519
-c1ccc2c(C3NCCc4[nH]cnc43)cccc2c1 MOL18520
-c1ccc2cc(C3NCCc4nc[nH]c43)ccc2c1 MOL18521
-N#CC(=Cc1ccc2c(c1)OCO2)c1ccccc1 MOL18522
-CC(=O)Nc1ccc(C=C(C#N)c2ccccc2)cc1 MOL18523
-N#CC(=Cc1cccc(Cl)c1Cl)c1ccccc1 MOL18524
-N#CC(=Cc1ccc2ccccc2c1)c1ccccc1 MOL18525
-N#CC(=Cc1cc2ccccc2c2ccccc12)c1ccccc1 MOL18526
-Cc1ccc(C=C(C#N)c2ccccc2)cc1 MOL18527
-O=C1C(=Cc2ccccc2)CN(C(=O)C=Cc2ccccc2)CC1=Cc1ccccc1 MOL18528
-C[N+](C)(C)CCC(=O)N1CC(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)C1.[Br-] MOL18529
-CC(=O)CC[N+](C)(C)C.[I-] MOL18530
-CN(C)CC1CCCC1=NOC(=O)c1ccccc1.Cl MOL18531
-O=C(Nc1ccccc1)ON=C1CCCCC1=Cc1ccccc1 MOL18532
-CN(C)CC1CC(=O)C(CN(C)C)CC1=O.Cl MOL18533
-CN(C)CC1CCCC1=NO MOL18534
-CN(C)CC1CCCCC1O.Cl MOL18535
-C[N+](C)(C)CC1CCCCC1O.[I-] MOL18536
-O=C1C(=Cc2ccc(Cl)c(Cl)c2)CNCC1=Cc1ccc(Cl)c(Cl)c1 MOL18537
-C=CC(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1 MOL18538
-CN(C)CCC(=O)N1CC(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1.Cl MOL18539
-Cl.O=C1C(=Cc2ccc(Cl)c(Cl)c2)CN(C(=O)CCN2CCOCC2)CC1=Cc1ccc(Cl)c(Cl)c1 MOL18540
-CC(C)C1NC(=O)c2ccccc2S1 MOL18541
-CC(=O)Nc1cc(Cl)cc2[nH]c(C)nc12.Cl MOL18542
-CN1C(=O)C(C)(O)Sc2ccccc21 MOL18543
-O=S(=O)(O)c1ccc(NN=Cc2ccccc2)cc1.[NaH] MOL18544
-COc1ccc(C=NNc2ccc(S(=O)(=O)O)cc2)cc1.[NaH] MOL18545
-COc1ccc(C=NNc2nc(C)c(C)s2)cc1 MOL18546
-NNc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH] MOL18547
-O=[N+]([O-])c1cccc(C=NNc2ccc(S(=O)(=O)O)cc2)c1.[NaH] MOL18548
-CCCN=C(NNC(N)=O)C(C)=O MOL18549
-CCOC(CC(=O)NCCNC(C)=O)OCC MOL18550
-CC(=O)C(=N)Nc1ccccc1 MOL18551
-CC(=O)C(=N)NCc1ccccc1 MOL18552
-CCCN=C(C(C)=O)N(C)C MOL18553
-CCCNC(=N)C(C)=O MOL18554
-CCOC(=O)C=CSC(C)(C)C(N)C(=O)O MOL18555
-CN1C(=O)C(C)(O)c2ccccc21 MOL18556
-CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21 MOL18557
-O=C(O)CCN1c2ccccc2Sc2ccccc21 MOL18558
-COC(=O)CCN1c2ccccc2Sc2ccccc21 MOL18559
-CN1CCN(C(=O)CCN2c3ccccc3Sc3ccccc32)CC1 MOL18560
-CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 MOL18561
-CC1(C)OC2OC(C(O)COC(=O)c3ccccc3)C(F)C2O1 MOL18562
-CC1(C)OC2OC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)C(F)C2O1 MOL18563
-CC1(C)OC2OC(C(O)COC(=O)c3ccccc3)C(Cl)C2O1 MOL18564
-COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1N MOL18565
-Nc1ccc([N+](=O)[O-])c(S(=O)(=O)O)c1 MOL18566
-Nc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-] MOL18567
-O=C(O)C=CSc1ccccc1C(=O)O MOL18568
-O=C(CS)NCCNC(=O)CS MOL18569
-O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCNC(=O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL18570
-O=C1CSSCC(=O)NCCCN1 MOL18571
-O=C1CCSSCCC(=O)NCCN1 MOL18572
-O=C1CCSSCCC(=O)NCCCN1 MOL18573
-CN1CCN(C)C(=O)CSSCC1=O MOL18574
-CCOC(=O)C=CSCCCC(=O)O MOL18575
-COC(=O)CCSSCCC(=O)OC MOL18576
-COC(=O)CSSCC(=O)OC MOL18577
-Cc1cc(=O)n(-c2ccccc2)c(=O)n1-c1nc2ccccc2[nH]1 MOL18578
-Cc1cc(=O)n(-c2ccccc2)c(=S)n1-c1nc2ccccc2[nH]1 MOL18579
-Cc1cc(=O)[nH]c(=S)n1-c1nc2ccccc2o1 MOL18580
-Cc1c(N=Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)c(=O)n1-c1nc2ccccc2[nH]1 MOL18581
-Cc1ccc(N=Nc2c(C)n(-c3ccc4scnc4c3)c(=S)n(-c3ccccc3)c2=O)cc1 MOL18582
-Cc1c(N=Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)c(=S)n1-c1nc2ccccc2s1 MOL18583
-CC1(C)CC2C(O)C(CO)=C3CC(O)C3(C)C2C1 MOL18584
-COc1ccc2c(c1OC)Oc1c(OC)ccc3c1C(C2)NCC3.Cl MOL18585
-NC(=O)NC1C(C(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 MOL18586
-CCOC(=O)C1C(NC(N)=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 MOL18587
-NC(=O)NC1C(C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 MOL18588
-O=[Se]1[OH+][Pt-2]2(NC3CCCCC3N2)[OH+]1 MOL18589
-COC(=O)c1cc(O)ccc1NC(=O)c1ccc(O)cc1 MOL18590
-CC1=C2C(=O)OC(c3ccoc3)C2(C)CCC1 MOL18591
-CCOC(O)=C(c1nc2ccccc2s1)c1ncnc2[nH]cnc12 MOL18592
-CCOC1CC2OC(=O)C1C=C2C(=O)OC MOL18593
-COC(=O)C1=CC2C(=O)OC1C1C(=O)NC(=O)C21 MOL18594
-COC(=O)C1=CC2C(=O)OC1CC2C#N MOL18595
-CC(=O)OC1CC2C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C MOL18596
-CC1(CO)OC(n2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)[nH]c2=O)CC1O MOL18597
-CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4O MOL18598
-CCc1occc(=O)c1O MOL18599
-Cc1cn(C2C=CC(=O)C(C)O2)c(=O)[nH]c1=O MOL18600
-COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O MOL18601
-CC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)N(CCCl)N=O)C(OC(C)=O)C1OC(C)=O MOL18602
-CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O MOL18603
-CCCCCCCCCCCCCCCC(=O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)C(NC(=O)N(CCCl)N=O)C(O)C1O MOL18604
-CC(=O)N1N=C(c2ccc(N=Nc3c(C)nn(-c4ccccc4)c3C)cc2)OC1c1ccc(Cl)cc1 MOL18605
-CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O MOL18606
-CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(C)=O)C2OC(=O)c1ccccc1)C4(C)O MOL18607
-CC(=O)OCC12C(OC(=O)c3ccccc3)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C3C)C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O MOL18608
-CC(=O)OCC12C(OC(=O)c3ccccc3)C(O)C3OC(=O)C(C)CCc4ncccc4C(=O)OCC4(C)OC1(C(OC(C)=O)C4C(OC(C)=O)C2OC(C)=O)C3(C)O MOL18609
-CN1CCCC1=Nc1scc(-c2ccc(Br)cc2)[n+]1-c1ccccc1.[Br-] MOL18610
-Cl.NCCCN(CCCN)CCCNCc1c2ccccc2c(CNCCCN(CCCN)CCCN)c2ccccc12 MOL18611
-Cl.NCCNCc1c2ccccc2c(CNCCN)c2ccccc12 MOL18612
-Cl.NCCCNCc1c2ccccc2c(CNCCCN)c2ccccc12 MOL18613
-Cl.NCCNCCNCc1c2ccccc2c(CNCCNCCN)c2ccccc12 MOL18614
-Cn1c(=O)c2c(n(C)c1=O)=NC=c1c(=O)n(C)c(=O)n(C)c1=NC=2 MOL18615
-O=C(O)CCC(NC(=O)c1ccc(-n2nc3ccc(=O)cc-3[nH]c2=O)cc1)C(=O)O MOL18616
-Nc1nc(O)c2ncn(CCN(CCCl)CCCl)c2n1 MOL18617
-CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 MOL18618
-COc1ccc2c(=O)c(C)c(C=Cc3ccco3)oc2c1 MOL18619
-CC1=C2[OH+][AlH3-3]34([O+]=C2C=CN1C)([O+]=C1C=CN(C)C(C)=C1[OH+]3)[O+]=C1C=CN(C)C(C)=C1[OH+]4 MOL18620
-Cc1cc(O)c2c(c1)CC(O)C1=C2C(=O)c2c(O)ccc(OC3CC(O)C(OC4CC(OC5CCC(OC6CC(O)C(OC7CC(OC8CCC(O)C(C)O8)C(O)C(C)O7)C(C)O6)C(C)O5)C(O)C(C)O4)C(C)O3)c2C1=O MOL18621
-COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12.Cl MOL18622
-CN(C)CCNC(=O)c1nc([N+](=O)[O-])cn1C.Cl MOL18623
-N[Co-4](N)(N)(N)([N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O MOL18624
-COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12.Cl MOL18625
-COc1cc(OC)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl MOL18626
-C=CCON=C(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL18627
-C=CCONC(=O)c1ccc(Cl)cc1 MOL18628
-O=C(NOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 MOL18629
-COC(=O)CC1(C)C(O)C2OC(C)(C)OC2C1O MOL18630
-Cc1nnnn1C1C(C#N)CC2C3CCC4=Cc5nnnn5CCC4(C)C3CCC21C MOL18631
-NC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl MOL18632
-CCCCNCc1cc(S(=O)(=O)N2CCCCC2)c2cccnc2c1O MOL18633
-c1ccc(P(c2ccccc2)c2ccc(P(c3ccccc3)c3ccccc3)nn2)cc1 MOL18634
-CCCCCCCCCCCCCCCCOC1OC(CBr)C(O)C(O)C1O MOL18635
-CCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18636
-CCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O MOL18637
-CCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1O MOL18638
-CCCCCCCCCCCCCCCCOC1OC(CS(=O)(=O)S(=O)(=O)CC2OC(OCCCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O MOL18639
-CCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18640
-CCCCCCCCCCCCCCCCOCC(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OCCCCCCCCCCCCCCCC MOL18641
-CCCCCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O MOL18642
-CCCCCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O MOL18643
-CCCCCCCCCCCCCCCCOC1OC(CSSCC2OC(OCCCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O MOL18644
-CCCCCCCCCCCCCCCCOC1OC(CCSSC2OC(OCCCCCCCCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C1O MOL18645
-CCCCCCCCCCCCCCCCOC1OC(CBr)C(O)C(O)C1O MOL18646
-CCCCCCCCCCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OCCCCCCCCCCCCCCCC MOL18647
-CCCCCCCCCCCCCCCCOC1OC(CS(=O)(=O)O)C(O)C(O)C1O.[NaH] MOL18648
-CCCCCCCCCCCCCCCCOC1OC(CS(=O)(=O)O)C(O)C(O)C1O.[NaH] MOL18649
-CCCCCCCCCCCCCCCCOCC(COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)OCCCCCCCCCCCCCCCC MOL18650
-CCCCOc1cc(C[S+]2CCCC2)c(OC)cc1C[S+]1CCCC1.[Cl-] MOL18651
-COc1cc(C[S+]2CCCC2)c(SC)cc1C[S+]1CCCC1.[ClH2+] MOL18652
-CCOC(=O)c1c(O)nc2sc3ccccc3n2c1=O MOL18653
-Nc1nc(O)c2ncn(C(CCO)SCCO)c2n1 MOL18654
-Cl.c1ccc2c(c1)[nH]c1c2nc2ccccn21 MOL18655
-COC(=O)C1(O)c2ccccc2N=C2C1CCN2C MOL18656
-CN(C)CCc1ccc(Cl)cc1Cl.Cl MOL18657
-Cl.Clc1ccc(CCN2CCOCC2)c(Cl)c1 MOL18658
-O=c1ccn(C2OC(CO)CC2F)c(=O)[nH]1 MOL18659
-Cc1cn(C2OC(CO)CC2F)c(=O)[nH]c1=O MOL18660
-CN1CC(O)C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1.ClC(Cl)Cl MOL18661
-O=C1OC(c2ccc(Cl)c3ccccc23)c2ccccc21 MOL18662
-CSc1ccc(C2OC(=O)c3ccccc32)c2ccccc12 MOL18663
-CC1=C(C)C2(OC1=O)C(O)C(C)C1(O)CCC3C4CC=C5CC=CC(=O)C5(C)C4CC2(O)C31C MOL18664
-Fc1ccc2c(c1)CN(CCN1COc3ccc(F)cc3C1)CO2 MOL18665
-C=C1C(=O)C23CC1CC(O)C2C1(CCCC(C)(COC(C)=O)C1C=O)COC3=O MOL18666
-CCCCCCCCCCOCC(COCCOCC(COCCCCCCCCCC)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O.[NaH] MOL18667
-CCCCCCCCCCOCC(COCCOCC(COCCCCCCCCCC)OS(=O)(=O)O)OS(=O)(=O)O.[NaH] MOL18668
-CSCCOC(=O)c1cc(NC(=S)c2ccoc2C)ccc1Cl MOL18669
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(F)(F)F)c1 MOL18670
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC2CCCCC2)c1 MOL18671
-O=C(O)CCC(O)=C1S(=O)(=O)OCCOS1(=O)=O.[NaH] MOL18672
-COP(=O)(CC(=O)C1OC(C)(C)OC1C(O)COCc1ccccc1)OC MOL18673
-CC1(C)OC2C(=O)OC(COCc3ccccc3)C2O1 MOL18674
-COc1ccc2c(c1)OC1(OCCO1)C1C2CCC2(C)C1CCC21OCCO1 MOL18675
-CNc1ccc2nc(O)ccc2c1[N+](=O)[O-] MOL18676
-CC(=O)N(C)c1ccc2c(ccc[n+]2[O-])c1[N+](=O)[O-] MOL18677
-CC(=O)N(C)c1ccc2ncccc2c1[N+](=O)[O-] MOL18678
-CNc1ccc2ncccc2c1[N+](=O)[O-] MOL18679
-COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(O)CO)CC3OC1CC(N2CCOCC2)C(O)C(C)O1.Cl MOL18680
-COCC(C#N)NC1CC(OC2CC(O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O MOL18681
-COC(=O)c1ncc2c(O)nc3ccccc3c2c1C(=O)OC MOL18682
-CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3 MOL18683
-CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3(C)C MOL18684
-CC(C)C1=CC23CCC4C(C)(C)CCCC4(C(=O)O2)C3=CC1=O MOL18685
-O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1Nc1ccccc1 MOL18686
-O=CN(c1ccccc1)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2c1=NCN=2 MOL18687
-Cc1ccc(N(C=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])c3c2=[N+]([O-])CN=3)cc1 MOL18688
-N#Cc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1 MOL18689
-O=C1c2ccccc2C(=O)N1N=Cc1ccc(O)cc1 MOL18690
-O=C1c2ccccc2C(=O)N1N=Cc1ccc(Br)cc1 MOL18691
-CN(C)c1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1 MOL18692
-CC(=O)Nc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1 MOL18693
-CCOc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1 MOL18694
-O=C1c2ccccc2C(=O)N1N=Cc1ccc([N+](=O)[O-])cc1 MOL18695
-COc1cccc(OC)c1C=NN1C(=O)c2ccccc2C1=O MOL18696
-CC=NN1C(=O)c2ccccc2C1=O MOL18697
-O=c1cc2ccccc2nn1Cc1cccc(Cl)c1 MOL18698
-O=c1cc2ccccc2nn1Cc1ccccc1Cl MOL18699
-Cc1ccccc1Cn1nc2ccccc2cc1=O MOL18700
-O=c1cc2ccccc2nn1-c1ccccc1Cl MOL18701
-Cc1ccccc1CN1CC=c2ccccc2=N1 MOL18702
-Cn1nc2ccccc2cc1=O MOL18703
-CN1Nc2ccccc2CC1=O MOL18704
-Oc1nnc2ccccc2c1Cl MOL18705
-Oc1nnc2ccccc2c1Cc1ccccc1 MOL18706
-Cc1ccc(Cc2c(O)nnc3ccccc23)cc1 MOL18707
-COc1ccc(Cc2c(O)nnc3ccccc23)cc1 MOL18708
-COc1ccc(C=NN2C(=O)Cc3ccccc32)cc1 MOL18709
-O=C1Cc2ccccc2N1N=Cc1ccc([N+](=O)[O-])cc1 MOL18710
-O=C1Cc2ccccc2N1N=Cc1ccc(O)cc1 MOL18711
-COc1ccc(C=C2C(=O)N(NC(C)=O)c3ccccc32)cc1 MOL18712
-CC(=O)NN1C(=O)C(Cc2ccccc2)c2ccccc21 MOL18713
-O=C1C(=Cc2ccccc2)c2ccccc2N1N=Cc1ccccc1 MOL18714
-CC(=O)N(N=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL18715
-CC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)O)C(C)C MOL18716
-CC(C)(C)C(=O)OCC1CCC(n2cnc3c(O)nc(N)nc32)O1 MOL18717
-COCN1COCN(C)C1=O MOL18718
-CCOCN1COCN(C)C1=O MOL18719
-CC1(C)C2CCC13CS(=O)(=O)N(C(=O)C1CC=CCC1)C3C2 MOL18720
-CC(=O)OC1OC2C(NC(=O)OC(C)(C)C)C1CC2(OCc1ccccc1)OCc1ccccc1 MOL18721
-O=C1NC2C3CC(OCc4ccccc4)(OCc4ccccc4)C2OC3O1 MOL18722
-CCOC(=O)NC1C2CC(=O)C(O2)C1OCc1ccccc1 MOL18723
-CCOC(=O)NC1C(CC(=O)OC)OC2OC(C)(C)OC21 MOL18724
-CC(=O)OC1(C#N)CC2OC1C1NC21.Cc1ccc(S(=O)(=O)O)cc1 MOL18725
-COC1(OC)CC2OC1C1N=NN(C(=O)OC(C)(C)C)C21 MOL18726
-CC(C)(C)OC(=O)N1N=NC2C1C1CC(OCc3ccccc3)(OCc3ccccc3)C2O1 MOL18727
-CC(C)(C)C(=O)ON1N=NC2C3CC(OCc4ccccc4)(OCc4ccccc4)C(O3)C21 MOL18728
-c1ccc(COC2(OCc3ccccc3)CC3OC2C2N=NNC32)cc1 MOL18729
-O=C(OCc1ccccc1)N1N=NC2C1C1CC(OCc3ccccc3)(OCc3ccccc3)C2O1 MOL18730
-O=C(OCc1ccccc1)N1N=NC2C3CC(OCc4ccccc4)(OCc4ccccc4)C(O3)C21 MOL18731
-CC(=O)OC1CCN2C(=O)C=CC(OCc3ccccc3)C12 MOL18732
-COC1OC2CCN(C(=O)OCc3ccccc3)C2C1OCc1ccccc1 MOL18733
-O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1 MOL18734
-O=c1c2cc(Br)cc(Br)c2[nH]c(=S)n1-c1ccccc1 MOL18735
-S=c1[nH]c2ccc(Br)cc2c(=S)n1-c1ccccc1 MOL18736
-O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Br)cc1 MOL18737
-O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccc(Br)cc1 MOL18738
-Cc1ccc(-n2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1 MOL18739
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18740
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18741
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18742
-CC(=O)OCC1OC(n2c(=S)n(-c3ccc(C)cc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18743
-CC(=O)OCC1OC(n2c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18744
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=S)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18745
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18746
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18747
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18748
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=S)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18749
-CC(=O)OCC1OC(n2c(=S)n(-c3ccc(C)cc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18750
-CC(=O)OC1COC(n2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C1OC(C)=O MOL18751
-CC(=O)OC1COC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C1OC(C)=O MOL18752
-CC(=O)OC1COC(n2c(=S)n(-c3ccc(C)cc3)c(=O)c3ccccc32)C(OC(C)=O)C1OC(C)=O MOL18753
-CC(=O)OCC1OC(n2c(=S)n(-c3ccccc3)c(=O)c3cc(Br)ccc32)C(OC(C)=O)C1OC(C)=O MOL18754
-O=c1c2cc(Br)ccc2n(C2OC(CO)C(O)C(O)C2O)c(=S)n1-c1ccccc1 MOL18755
-CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3ccccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18756
-CC(=O)OCC1OC(n2c(=O)n(-c3ccccc3)c(=O)c3cc(Br)cc(Br)c32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18757
-Cn1c(=O)c2c(nc(NCCO)n2Cc2ccccc2)n(C)c1=O MOL18758
-Clc1ccc(N=Nc2nc3ccccc3nc2N=Nc2ccc(Cl)cc2Cl)c(Cl)c1 MOL18759
-CCOC(=O)c1c(C(F)(F)F)oc2c1ccc1nc3nonc3nc12 MOL18760
-COC(=O)Nc1nc2cc(C(=O)c3ccc[nH]3)ccc2[nH]1 MOL18761
-CCOC(=O)Nc1nc2cc(Cn3cccc3)ccc2[nH]1 MOL18762
-Cc1cn(C2CC(OC=O)C(CO)O2)c(=O)[nH]c1=O MOL18763
-O=COC1CC(n2ccc(=O)[nH]c2=O)OC1CO MOL18764
-CC(C)(C)n1[se]c2ccccc2c1=O MOL18765
-CCCCCCCCCCCCn1[se]c2ccccc2c1=O MOL18766
-CCCCCCCCCCCCCCCCCCn1[se]c2ccccc2c1=O MOL18767
-O=c1c2ccccc2[se]n1-c1ccccc1 MOL18768
-O=c1c2ccccc2[se]n1-c1ccc(Cl)cc1 MOL18769
-O=c1c2ccccc2[se]n1-c1ccc(I)cc1 MOL18770
-O=C(O)c1ccc(-n2[se]c3ccccc3c2=O)cc1 MOL18771
-O=c1c2ccccc2[se]n1-c1ccccn1 MOL18772
-O=c1c2ccccc2[se]n1-c1cccnc1 MOL18773
-O=C(O)Cn1[se]c2ccccc2c1=O MOL18774
-CC(C(=O)O)n1[se]c2ccccc2c1=O MOL18775
-CC(C)C(C(=O)O)n1[se]c2ccccc2c1=O MOL18776
-O=C(O)CNC(=O)Cn1[se]c2ccccc2c1=O MOL18777
-O=C1c2ccccc2[Se](=O)N1c1ccccc1 MOL18778
-CCCCCCCCCCCCN1C(=O)c2ccccc2[Se]1=O MOL18779
-CCCCCCCCCCCCCCCCCCN1C(=O)c2ccccc2[Se]1=O MOL18780
-CC(C)(C)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(C)(C)C MOL18781
-CCCCCCCCCCCCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCCCCCCCCCCC MOL18782
-CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCCCCCCCCCCCCCCCCC MOL18783
-O=C(Nc1ccccc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccc1 MOL18784
-O=C(Nc1ccc(Cl)cc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccc(Cl)cc1 MOL18785
-O=C(Nc1ccc(I)cc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccc(I)cc1 MOL18786
-O=C(O)c1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(C(=O)O)cc2)cc1 MOL18787
-O=C(Nc1ccccn1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ccccn1 MOL18788
-O=C(Nc1cccnc1)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1cccnc1 MOL18789
-CNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC MOL18790
-c1ccc2nc([Se][Se]c3ccc4ccccc4n3)ccc2c1 MOL18791
-CC(=O)c1ccc([Se][Se]c2ccc(C(C)=O)cc2)cc1 MOL18792
-NC(=O)c1ccc([Se][Se]c2ccc(C(N)=O)cc2)cc1 MOL18793
-CCCCCCCCCCCCNC(=O)c1ccc([Se][Se]c2ccc(C(=O)NCCCCCCCCCCCC)cc2)cc1 MOL18794
-N=c1ccn(CCNCCn2cnc3nc(N)nc(O)c32)c(=O)[nH]1 MOL18795
-NCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O MOL18796
-NCCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21 MOL18797
-O=C(Nc1nc(O)c2c(ncn2CCNCCn2cnc3nc(NC(=O)c4ccccc4)nc(O)c32)n1)c1ccccc1 MOL18798
-O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCO MOL18799
-O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCCl MOL18800
-O=C1c2ccccc2C(=O)N1CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O MOL18801
-O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCNCCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O MOL18802
-COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21 MOL18803
-COCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1cnc2nc(N)nc(O)c21 MOL18804
-COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(=N)[nH]c1=O)CCn1cnc2nc(N)nc(O)c21 MOL18805
-COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21)CCn1cnc2nc(NC(=O)c3ccccc3)nc(O)c21 MOL18806
-COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)N(CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O)CCn1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1=O MOL18807
-CC1(C)C2CCC13CS(=O)(=O)N1OC13C(=O)O2 MOL18808
-COC(=O)C1=C(C(=O)OC)SC(=C(Br)C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(Br)=C2SC(C(=O)OC)=C(C(=O)OC)S2)S1 MOL18809
-CC(=O)OC1(C#N)CC2OC1C1N=NN(C(=O)OC(C)(C)C)C21 MOL18810
-CC(=O)OC1(C#N)CC2OC1C1C2N=NN1C(=O)OC(C)(C)C MOL18811
-CC(C)(C)OC(=O)N1N=NC2C3OC(CC3=O)C21 MOL18812
-CC(C)(C)OC(=O)N1N=NC2C3CC(=O)C(O3)C21 MOL18813
-CC(C)COC(=O)N1N=NC2C3OC(CC3=O)C21 MOL18814
-CC(C)COC(=O)N1N=NC2C3CC(=O)C(O3)C21 MOL18815
-CC(=O)OC1(C#N)CC2OC1C1C2N1C(=O)OC(C)(C)C MOL18816
-CC(=O)OC1(C#N)CC2OC1C1C2N1C(=O)c1ccccc1 MOL18817
-CCOC(=O)NC1C2CC(=O)OC(O2)C1OC(C)=O MOL18818
-O=C(c1ccccc1)N1C2C3CC(OCc4ccccc4)(OCc4ccccc4)C(O3)C21 MOL18819
-COc1ccc(COCC(Cn2ccnc2)OCc2ccc(C(=O)O)cc2)cc1 MOL18820
-COC1C(O)C(C)OC(OC2C(Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)OC(C)C3OC(c4ccccc4)OC32)C1O MOL18821
-Cc1ccc2oc(=O)c3c(O)c4cccc(OC5OC(C)C6OC(c7ccccc7)OC6C5OC5OC(C)C(O)C(O)C5O)c4c4oc(=O)c1c2c34 MOL18822
-Cl.O=C1OC(CCCl)(c2ccccc2)CC1CN1CCOCC1 MOL18823
-Cl.O=C1OC(c2ccccc2)CC1CN1CCOCC1 MOL18824
-Cl.O=C1OC(c2ccccc2)CC1CN1CCOCC1 MOL18825
-c1cnc2nc3n(c2c1)CSC3 MOL18826
-CC1(C)SCc2nc3ncccc3n21 MOL18827
-CC12CCC(=O)N1c1cccnc1N2 MOL18828
-O=C1CCC2(c3ccccc3)Nc3ncccc3N12 MOL18829
-O=C1CCC2(c3ccc(Cl)cc3)Nc3ncccc3N12 MOL18830
-O=C1CCC2(c3ccc(F)cc3)Nc3ncccc3N12 MOL18831
-CC12CCC(=O)N1c1ccccc1N2 MOL18832
-O=C1CCC2(c3ccccc3)Nc3ccccc3N12 MOL18833
-O=C1CCC2(c3ccc(Cl)cc3)Nc3ccccc3N12 MOL18834
-O=C1CCC2(c3ccc(F)cc3)Nc3ccccc3N12 MOL18835
-O=C1CCC2(c3ccccc3)Nc3cc(Cl)ccc3N12 MOL18836
-O=C1CCC2(c3ccccc3)Nc3ccc(Cl)cc3N12 MOL18837
-O=C1CCC2(c3ccc(Cl)cc3)Nc3cc(Cl)ccc3N12 MOL18838
-O=C1CCC2(c3ccc(F)cc3)Nc3cc(Cl)ccc3N12 MOL18839
-CC12CCC(=O)N1c1ccc([N+](=O)[O-])cc1N2 MOL18840
-CC12CCC(=O)N1c1cc([N+](=O)[O-])ccc1N2 MOL18841
-O=C1NS(=O)(=O)NC1(c1ccccc1)c1ccccc1 MOL18842
-O=C(O)Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12.[NaH] MOL18843
-O=C(O)Cc1cccc2c(=O)c3cccc([N+](=O)[O-])c3oc12.[NaH] MOL18844
-Cc1cc(C)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl MOL18845
-Cl.O=[N+]([O-])c1cccc2nccc(NCCCO)c12 MOL18846
-COc1ccc([N+](=O)[O-])c2c(NCC(O)CO)ccnc12.Cl MOL18847
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1ccnc1[N+](=O)[O-] MOL18848
-CN1CCc2ccccc2C(C(=O)c2ccccc2)=C1O MOL18849
-COc1cc2c(cc1OC)C(C(=O)c1cccc(OC)c1OC)C(=O)N(C)CC2 MOL18850
-CN1CCc2ccccc2C(C(=O)c2ccc3c(c2)OCO3)C1=O MOL18851
-COc1cccc(C(=O)C2C(=O)N(C)CCc3ccccc32)c1OC MOL18852
-CN1CCc2ccccc2C(C(=O)c2ccc(Cl)cc2)C1=O MOL18853
-O=C1CCCC(=O)N2c3ccc(cc3)CSCCSCc3ccc(cc3)N12 MOL18854
-O=c1c2ccccc2c(=O)n2n1-c1cccc(c1)CSSCc1cccc-2c1 MOL18855
-C=CCOC(=O)C1(C)C(=O)CCC1CCC=CC(C)=O MOL18856
-CC(=O)C=CCCC1CCC(=O)C1(C)C(=O)OC(C)(C)C MOL18857
-Cn1c(=O)c2c(nc3n2C(CCl)CO3)n(C)c1=O MOL18858
-c1ccc2nc3c(nc2c1)NSN3 MOL18859
-CCCC(=O)OC1C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1OC(=O)CCC MOL18860
-Brc1ccccc2cc(-c3ccccc3)nc1-2 MOL18861
-C1=CC=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1 MOL18862
-OC1c2ccccc2-c2nc3cccccc-3c21 MOL18863
-CCS(=O)(=O)C1(C#N)CCC1(C#N)S(=O)(=O)CC MOL18864
-c1ccc(C2=NOC3C4CCC(C4)C23)cc1 MOL18865
-Clc1ccc(C2=NOC3C4CCC(C4)C23)cc1 MOL18866
-O=[N+]([O-])c1cccc(C2=NOC3C4CCC(C4)C23)c1 MOL18867
-CC1(c2ccccc2)CC(c2cccc([N+](=O)[O-])c2)=NO1 MOL18868
-Clc1ccc(C2=NOC(C3CCCCC3)C2)cc1 MOL18869
-O=[N+]([O-])c1cccc(C2=NOC(C3CCCCC3)C2)c1 MOL18870
-COC(=O)C1CC(c2ccc(Cl)cc2)=NO1 MOL18871
-CSCC1CC(c2ccc(Cl)cc2)=NO1 MOL18872
-CC1(c2ccccc2)CC(c2ccccc2)=NO1 MOL18873
-CCCCC1CC(c2ccc(Cl)cc2)=NO1 MOL18874
-CCCCC1CC(c2cccc([N+](=O)[O-])c2)=NO1 MOL18875
-Cc1ccccc1C1CC(c2ccccc2)=NO1 MOL18876
-O=[N+]([O-])c1cccc(C2=NOC3CCCC23)c1 MOL18877
-O=c1c2ccccc2c(-c2ccccc2)nn1-c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 MOL18878
-O=C1CNNC(Cn2nc(-c3ccccc3)c3ccccc3c2=O)=N1 MOL18879
-N=C1NC(=O)NN=C(Cn2nc(-c3ccccc3)c3ccccc3c2=O)N1 MOL18880
-CCCN(CCC)CCc1cc(C(C)=O)n(S(=O)(=O)c2ccc(C)cc2)c1.Cl MOL18881
-C=CCC1C(C(C)(C)C(C(C)=O)C(=O)C(=O)OC)OC(C(C)(C)C)N1C(=O)OC MOL18882
-O=C(c1ccccc1)c1cn(N=Cc2ccccc2)c(=O)nc1-c1ccccc1 MOL18883
-CC(=NOCC(O)CNC(C)C)c1ccc2c(c1)NC(=O)CS2 MOL18884
-CN1CCCNC(=S)C1 MOL18885
-CN1CCCn2c(nc3ccccc3c2=O)C1 MOL18886
-[N-]=[N+]=Nc1nnc(CCCCc2nnc(N=[N+]=[N-])o2)o1 MOL18887
-CCCCCCCCCCCCCCCCCCOP(O)(=[OH+])OC1CC[N+](C)(C)CC1 MOL18888
-O=C1OC2CCCCC2C2CC34CCCCC3C(C(=O)O4)C12 MOL18889
-CCOP(=O)(OCC)C(Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 MOL18890
-CCOC(=O)C=Cc1ccc2c(c1)OC(CO)C(c1ccc(O)c(OC)c1)O2 MOL18891
-CCOC(=O)C=Cc1ccc2c(c1)OC(c1ccc(O)c(OC)c1)C(CO)O2 MOL18892
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OCC)c1)c1cc(Cl)c(OC)c(C(=O)OCC)c1 MOL18893
-CCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL18894
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OCCC)c1)c1cc(Cl)c(OC)c(C(=O)OCCC)c1 MOL18895
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL18896
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)N(C)C)c1)c1cc(Cl)c(OC)c(C(=O)N(C)C)c1 MOL18897
-CCCCCCCCCCC(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL18898
-CN1C(=O)CC2(C)c3cc(C=O)ccc3N(C)C12 MOL18899
-CN1C(=O)CC2(C)c3cc(O)ccc3N(C)C12 MOL18900
-CN1C(=O)CC2(C)c3cc(O)cc(Br)c3N(C)C12 MOL18901
-Cc1cccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 MOL18902
-Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL18903
-COc1ccccc1N1C(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2C)N=C1c1cc([N+](=O)[O-])ccc1Cl MOL18904
-COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL18905
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(Cl)c2)C1=O MOL18906
-CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(I)ccc21.[I-] MOL18907
-CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(Br)ccc21.[I-] MOL18908
-CC[n+]1c(C=Cc2ccc(N(CCCl)CCCl)cc2)ccc2cc(NC(=O)C=Cc3ccccc3)ccc21.[I-] MOL18909
-Cl.O=[N+]([O-])c1nccn1CCCNc1c2ccccc2nc2ccccc12 MOL18910
-CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccn1.Cl MOL18911
-CN(C)CCNC(=O)c1cc([N+](=O)[O-])cn1C.Cl MOL18912
-CN(C)CCNC(=O)c1cnn(C)c1[N+](=O)[O-].Cl MOL18913
-N[Co-4](N)(N)(N)([N+](=O)[O-])[N+](=O)[O-].O=[N+]([O-])O MOL18914
-CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)O MOL18915
-CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC MOL18916
-CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(N)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(N)=O MOL18917
-CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(N)CSSCC(C(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(C(C)C)NC1=O MOL18918
-CC1=CC2C3=C(OC(C)(C)C2CC1)C(=O)c1c(cc(O)c(C)c1O)C3=O MOL18919
-O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(O)cc1 MOL18920
-COc1ccc(S(=O)(=O)NNS(C)(=O)=O)cc1OC MOL18921
-COc1ccc(S(=O)(=O)NNS(C)(=O)=O)cc1 MOL18922
-CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(OC)cc1 MOL18923
-CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(Br)cc1 MOL18924
-CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(Cl)cc1 MOL18925
-C=C1CC(CC)(CCN2C(=O)c3ccccc3C2=O)OC1=O MOL18926
-N#Cc1c(NN)nc(NN)c(C#N)c1-c1ccccc1 MOL18927
-COC(=O)C(C#N)=C1NC(=O)c2ccccc21 MOL18928
-O=C1NC(=C[N+](=O)[O-])c2ccccc21 MOL18929
-COC(=O)C(C#N)C1NC(=O)c2ccccc21 MOL18930
-CCOP(=O)(OCC)OC(C)=CC(=O)OC MOL18931
-c1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 MOL18932
-C1=CC2=[N+]3C1=C(c1ccccc1)C1=CC=C4C(c5ccccc5)=C5C=CC6=[N+]5[Zn-2]3([NH+]14)[NH+]1C(=C2c2ccccc2)C=CC1=C6c1ccccc1 MOL18933
-C1=CC2=[N+]3C1=C(c1ccncc1)C1=CC=C4C(c5ccncc5)=C5C=CC6=[N+]5[Zn-2]3([NH+]14)[NH+]1C(=C2c2ccncc2)C=CC1=C6c1ccncc1 MOL18934
-C[n+]1ccc(C2=C3C=CC4=[N+]3[Zn-2]35[N+]6=C(C=CC6=C(c6cc[n+](C)cc6)C6=CC=C2[NH+]63)C(c2cc[n+](C)cc2)=C2C=CC(=C4c3cc[n+](C)cc3)[NH+]25)cc1.[I-] MOL18935
-O=S1OC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 MOL18936
-COc1ccccc1C(N)c1ccccc1.Cl MOL18937
-COc1ccccc1C(O)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1OC MOL18938
-C=CCC1CCN(C=C)C1=O MOL18939
-O=C1C=CC(=O)c2cc(Sc3ccccc3)c(=O)ccc21 MOL18940
-COC(=O)c1cc2c(c(C(=O)OC)c1O)C(=O)C=CC2=O MOL18941
-CCC1(CC)COP(=S)(S[Sb](OC(C)=O)SP2(=S)OCC(CC)(CC)CO2)OC1 MOL18942
-N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1O MOL18943
-Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(O)n2)cc1 MOL18944
-COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(O)n2)cc1 MOL18945
-N#Cc1c(-c2ccccc2)cc(-c2ccc(N)cc2)nc1O MOL18946
-N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1O MOL18947
-Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(O)n2)cc1 MOL18948
-COc1ccc(-c2cc(-c3ccco3)c(C#N)c(O)n2)cc1 MOL18949
-N#Cc1c(-c2ccco2)cc(-c2ccc(N)cc2)nc1O MOL18950
-CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18951
-CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18952
-COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL18953
-CC(=O)OC1C(COC(N)=O)OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C1OC(C)=O MOL18954
-CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18955
-CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18956
-COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL18957
-CC(=O)OCC1OC(n2c(-c3ccc(N)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18958
-CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18959
-COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL18960
-CC(=O)OCC1OC(n2c(-c3ccccc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18961
-CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL18962
-COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL18963
-N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=O MOL18964
-N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=O MOL18965
-Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1 MOL18966
-COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1 MOL18967
-Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(CO)C(O)C(O)C2O)cc1 MOL18968
-Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1 MOL18969
-COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2C2OC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)cc1 MOL18970
-COC12CC(=O)C(=C(O)C=Cc3ccccc3)C(=O)C1(O)Cc1ccccc1O2 MOL18971
-COC12CC(=O)C(=C(O)C=Cc3ccccc3)C(=O)C1(OC)Cc1ccccc1O2 MOL18972
-COC(=O)C1N=CSCC1(C)O MOL18973
-Br.NCCCNC(=O)c1csc(NC(=O)c2csc(NC(=O)CCCN)n2)n1 MOL18974
-CC(C)OC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C MOL18975
-O=C1C2ON=C(c3ccccc3[N+](=O)[O-])C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5[N+](=O)[O-])C4C3=O)cc2)cc1 MOL18976
-O=C1C2ON=C(c3ccc(Br)cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccc(Br)cc5)C4C3=O)cc2)cc1 MOL18977
-CC1(C)Oc2ccc(C3=NOC4C(=O)N(c5ccc(Cc6ccc(N7C(=O)C8ON=C(c9ccc%10c(c9)OC(C)(C)O%10)C8C7=O)cc6)cc5)C(=O)C34)cc2O1 MOL18978
-O=C1C2ON=C(c3cccc([N+](=O)[O-])c3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5cccc([N+](=O)[O-])c5)C4C3=O)cc2)cc1 MOL18979
-Cc1ccc(C2=NOC3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON=C(c8ccc(C)cc8)C7C6=O)cc5)cc4)C(=O)C23)cc1 MOL18980
-O=C1C2ON=C(c3ccc(Cl)cc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccc(Cl)cc5Cl)C4C3=O)cc2)cc1 MOL18981
-Cc1cc(C)c(C2=NOC3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON=C(c8c(C)cc(C)cc8C)C7C6=O)cc5)cc4)C(=O)C23)c(C)c1 MOL18982
-O=C1C2ON=C(c3ccccc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5)C4C3=O)cc2)cc1 MOL18983
-O=C1C2ON=C(c3ccncc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccncc5)C4C3=O)cc2)cc1 MOL18984
-O=C1C2ON=C(c3ccccn3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccn5)C4C3=O)cc2)cc1 MOL18985
-O=C1C2ON=C(c3ccccc3Br)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5Br)C4C3=O)cc2)cc1 MOL18986
-O=C1C2ON=C(c3ccccc3F)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5ccccc5F)C4C3=O)cc2)cc1 MOL18987
-O=C1C2ON=C(c3c(Cl)cccc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON=C(c5c(Cl)cccc5Cl)C4C3=O)cc2)cc1 MOL18988
-O=C(c1ccc(Cl)cc1Cl)C1C2C(=O)N(c3ccc(Cc4ccc(N5C(=O)C6ON(c7ccccc7)C(C(=O)c7ccc(Cl)cc7Cl)C6C5=O)cc4)cc3)C(=O)C2ON1c1ccccc1 MOL18989
-O=C1C2ON(c3ccccc3)C(c3ccccc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5)C4C3=O)cc2)cc1 MOL18990
-Cc1cc(C)c(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8c(C)cc(C)cc8C)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)c(C)c1 MOL18991
-COc1ccc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8ccc(OC)cc8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1 MOL18992
-O=C1C2ON(c3ccccc3)C(c3cccc([N+](=O)[O-])c3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5cccc([N+](=O)[O-])c5)C4C3=O)cc2)cc1 MOL18993
-O=C1C2ON(c3ccccc3)C(c3ccc([N+](=O)[O-])cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc([N+](=O)[O-])cc5)C4C3=O)cc2)cc1 MOL18994
-O=C1C2O[N+](c3ccccc3)=C(c3ccccc3[N+](=O)[O-])C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4O[N+](c5ccccc5)=C(c5ccccc5[N+](=O)[O-])C4C3=O)cc2)cc1 MOL18995
-O=C1C2ON(c3ccccc3)C(c3ccc(Cl)cc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc(Cl)cc5Cl)C4C3=O)cc2)cc1 MOL18996
-Cc1ccc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8ccc(C)cc8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1 MOL18997
-O=C1C2ON(c3ccccc3)C(c3ccccc3Cl)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5Cl)C4C3=O)cc2)cc1 MOL18998
-O=C1C2ON(c3ccccc3)C(c3ccc(Cl)cc3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccc(Cl)cc5)C4C3=O)cc2)cc1 MOL18999
-CC(=O)Nc1ccc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8ccc(NC(C)=O)cc8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc1 MOL19000
-COc1cc(C2C3C(=O)N(c4ccc(Cc5ccc(N6C(=O)C7ON(c8ccccc8)C(c8cc(OC)c(OC)c(OC)c8)C7C6=O)cc5)cc4)C(=O)C3ON2c2ccccc2)cc(OC)c1OC MOL19001
-O=C1C2ON(c3ccccc3)C(c3ccccc3F)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccc5F)C4C3=O)cc2)cc1 MOL19002
-O=C1C2ON(c3ccccc3)C(c3ccco3)C2C(=O)N1c1ccc(Cc2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccco5)C4C3=O)cc2)cc1 MOL19003
-O=C(OC1CCCCC1)c1cc(NC(=S)c2ccccc2F)ccc1Cl MOL19004
-CON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl MOL19005
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3CCC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC34C)O2)c(=O)[nH]c1=O MOL19006
-CC(C)=CCCC(=CCCC(C)=CCCc1ccoc1)C(=O)O MOL19007
-CC(=O)OC(CC1(C)C(C)CCC23COC(=O)C2=CCCC31)c1ccoc1 MOL19008
-C=C1CCc2occ(C)c2C2C1C1=C(CC(C)C1=O)C1OC12C MOL19009
-CC1CCC23COC(=O)C2C(O)CCC3C1(C)CC(O)c1ccoc1 MOL19010
-COc1cc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)ccc1O MOL19011
-CC(=O)OC(CC1(C)C(C)CCC23COC(=O)C2=CCCC31)C1=CC(=O)OC1O MOL19012
-c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2 MOL19013
-CC(C)=CCCC(C)=CC=NO MOL19014
-CC(=O)OC1C=C(C)C(OC(C)=O)CC=C(C)CCC2C(C=CC1=O)C2(C)C MOL19015
-CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=O MOL19016
-CC1(C)CCCC2(C)C3C(O)CC2(C)C(O)C31 MOL19017
-Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(C=Cc1ccc2c(c1)OCO2)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL19018
-COc1ccc(C=CC(=NNC(=O)c2ccccc2)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1OC MOL19019
-CCC(=O)NN=C(C=Cc1cccc(O)c1)c1sc(Nc2ccc(C)cc2[N+](=O)[O-])nc1C MOL19020
-Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(C=Cc1ccc(N(C)C)cc1)=NNC(=O)c1ccccc1 MOL19021
-NNC(=O)C(=O)NN=C(C(Cl)(Cl)CO)C(Cl)(Cl)CO MOL19022
-COc1cc(C=CC(=NNC(=O)c2ccccc2)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)ccc1O MOL19023
-Cc1ccc(Nc2nc(C)c(C(C=Cc3ccc4c(c3)OCO4)=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 MOL19024
-Cc1ccc(Nc2nc(C)c(C(C=Cc3ccc(C=CC(=NNC(=O)C[n+]4ccccc4)c4sc(Nc5ccc(C)cc5[N+](=O)[O-])nc4C)cc3)=NNC(=O)C[n+]3ccccc3)s2)c([N+](=O)[O-])c1.[Cl-] MOL19025
-CCc1cccc(C(C)CC)c1NC(=NC(=O)c1ccccc1C(=O)N=C(Nc1c(CC)cccc1C(C)CC)SC)SC.I MOL19026
-CC(C)C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C#N MOL19027
-CSC(=NC(=O)c1cccc(Cl)c1)Nc1nccs1.I MOL19028
-CCOc1ccccc1NC(=NC(=O)CC)SC.I MOL19029
-CSC(=NC(=O)c1ccc(Br)cc1)Nc1ccccc1Cl.I MOL19030
-Cc1c(Cl)cccc1NC(=O)C(=O)C1C(=O)CC(C)(C)CC1=O MOL19031
-Cc1cccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)c1C MOL19032
-Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)c(C)c1 MOL19033
-O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C1NC(=S)NC1=O MOL19034
-CC(=O)C=CC(=O)NNS(=O)(=O)c1ccc(C)cc1 MOL19035
-CC(C=CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C)=Cc1ccccc1 MOL19036
-N=C1OC(c2ccc3c(c2)OCO3)C(NNS(=O)(=O)c2ccccc2)=C1O MOL19037
-N=C1OC(c2cccc(Cl)c2)C(NNS(=O)(=O)c2ccccc2)=C1O MOL19038
-NNC(=S)NN=C(CC1OC(=O)c2ccccc21)c1ccccc1O MOL19039
-CC(=NN(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL19040
-CC(=NO)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL19041
-CCc1cccc(CC)c1NC(=S)NC(=O)c1ccc(Br)cc1 MOL19042
-CCc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2)nc1C MOL19043
-CCOc1ccccc1Nc1nc(C)c(C(=O)CC(=O)C(=O)Nc2ccccc2)s1 MOL19044
-CC1=C(C(=O)NNS(=O)(=O)c2ccc(C)cc2)CC(C(=O)NNS(=O)(=O)c2ccc(C)cc2)=C(C)N1 MOL19045
-Cc1nc(C)c(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1C(=O)Nc1cccc2c1C(=O)NC2=O MOL19046
-CCOC(=O)Cc1nc(Cl)c2c(C)c(C)sc2n1 MOL19047
-CCOC(=O)Cc1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3 MOL19048
-CCOC(=O)Cc1nc(O)c2c3c(sc2n1)CCCC3 MOL19049
-CCOC(=O)Cc1nc(O)c2c(-c3ccccc3)c(C)sc2n1 MOL19050
-CN(C)CC1CCC(CN(C)C)C1=O.Cl MOL19051
-CN(C)CC1CCC(CN(C)C)C1=NO.Cl MOL19052
-C[N+](C)(C)CC1CCCCC1=NOC(=O)c1ccccc1.[I-] MOL19053
-C[N+](C)(C)CC1CCCC1=NO.[I-] MOL19054
-C[N+](C)(C)CC1CCC(C[N+](C)(C)C)C1=NO.[I-] MOL19055
-C[N+](C)(C)CC1CCCC1=NOC(=O)c1ccccc1.[I-] MOL19056
-CCCCCCCCCCCCCCCCOCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OCCCCCCCCCCCCCCCC.[NaH] MOL19057
-COC(CN1C=C(Sc2ccccc2)CC1)OC MOL19058
-COC(=O)C1=CCS(=O)(=O)C1 MOL19059
-CC=C(I)CBr MOL19060
-CC1=NCCc2c1[nH]c1cc(O)ccc21.Cl MOL19061
-CC1NCCc2c1[nH]c1cc(O)ccc21.Cl MOL19062
-COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21C=C(C(C)OC(=O)C=Cc2ccc(O)cc2)C(=O)O1 MOL19063
-CC1CCC2(C(=O)O)CCC3(COC(=O)C=Cc4ccc(O)cc4)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C MOL19064
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CC(=O)C3c3ccoc3)C12C MOL19065
-CCOC1=C2C(C)(CCC3C4(C)C=CC(=O)C(C)(C)C4CC(O)C23C)C(c2ccoc2)C1=O MOL19066
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)C(=O)C4OC43C12C MOL19067
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C(CO)CC(O)C(=O)C(C)(C)O)C12C MOL19068
-CC1CCC2(NC1)OC1CC3C4CC=C5C=CCCC5(C)C4CCC3(C)C1C2C MOL19069
-Cc1nccc2c1[nH]c1cc(O)ccc12.Cl MOL19070
-CC1CCC2(C(=O)O)CCC3(COC(=O)C=Cc4ccc(O)cc4)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C MOL19071
-OCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 MOL19072
-OCCCCCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 MOL19073
-COc1ccc(-c2cc(-c3ccc4c(c3)CC(C)O4)nc(N)n2)cc1 MOL19074
-CC1(O)CCC23CC1CC2CC(OC(=O)c1ccccc1)C1C(C)(C(=O)O)CCCC13C MOL19075
-Br.c1cc2cc(c1)CNCCNCCNCc1cccc(c1)CNCCNCCNC2 MOL19076
-CCNCCCCNCCCCNCCCCNCCCCNCC.Cl MOL19077
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCC(=O)O MOL19078
-O=C1CCN2C(=N1)Nc1cccc3cccc2c13 MOL19079
-COC1OC(COC(=O)c2ccccc2)CC1F MOL19080
-C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC=O MOL19081
-O=C(C=Cc1cccc2ccccc12)c1cccc2ccccc12 MOL19082
-Cc1ccc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc1 MOL19083
-O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 MOL19084
-O=C(C=Cc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 MOL19085
-O=C(C=Cc1ccccc1Cl)c1cccc2ccccc12 MOL19086
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl MOL19087
-O=C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 MOL19088
-O=C(C=Cc1ccc(Cl)cc1)c1ccncc1 MOL19089
-O=C(C=Cc1cccc2ccccc12)c1ccccc1Cl MOL19090
-Cc1ccc(C(=O)C=Cc2ccco2)cc1 MOL19091
-COc1cc(C(=O)C=Cc2ccccc2O)ccc1O MOL19092
-Cc1ccc(C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 MOL19093
-Cc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)cc1 MOL19094
-O=C(C=Cc1ccccc1O)c1ccccc1 MOL19095
-O=C(C=Cc1ccc2c(c1)OCO2)c1cccc2ccccc12 MOL19096
-CC(=O)Nc1ccc(C=CC(=O)c2ccccc2)cc1 MOL19097
-Cc1ccc(C(=O)C=Cc2ccc(N(C)C)cc2)cc1 MOL19098
-O=C(C=Cc1cc(Cl)cc(Cl)c1O)c1cccc(O)c1 MOL19099
-Nc1ccccc1C(=O)C=Cc1c(O)ccc2ccccc12 MOL19100
-COc1ccc(C=CC(=O)c2sc(NC(=S)NC(=O)c3ccc(Cl)cc3)nc2C)cc1OC MOL19101
-Cc1[nH]c(=N)sc1C(=O)C=Cc1ccc2c(c1)OCO2 MOL19102
-Cc1nc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)C=Cc1ccccc1[N+](=O)[O-] MOL19103
-CCOc1ccc(Nc2nc(C)c(C(=O)C=Cc3ccc(Cl)cc3Cl)s2)cc1 MOL19104
-Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(=O)C=Cc1ccc(N(C)C)cc1 MOL19105
-COc1cc(C=CC(=O)c2sc(Nc3ccccc3)nc2C)ccc1O MOL19106
-COc1ccc(C=CC(=O)c2sc(NC(=S)NC(=O)c3ccccc3F)nc2C)cc1OC MOL19107
-Cc1nc(NC(=O)CCCCCCCCC(=O)Nc2nc(C)c(C(=O)C=Cc3ccc(C=CC(=O)c4sc(=N)[nH]c4C)cc3)s2)sc1C(=O)C=Cc1ccc(C=CC(=O)c2sc(=N)[nH]c2C)cc1 MOL19108
-COc1ccc(C=CC(=O)c2sc(Nc3ccc([N+](=O)[O-])cc3)nc2C)cc1 MOL19109
-COc1ccc(C=CC(=O)c2sc(=N)[nH]c2C)cc1 MOL19110
-Cc1[nH]c(=N)sc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 MOL19111
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 MOL19112
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 MOL19113
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccccc1 MOL19114
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1cccc([N+](=O)[O-])c1 MOL19115
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(Cl)c(Cl)c2)s1 MOL19116
-CCOc1ccc(C=CC(=O)c2sc(NNC(C)=O)nc2C)cc1 MOL19117
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(NC(C)=O)cc2)s1 MOL19118
-CC(=O)NNc1ncc(C(=O)C=Cc2ccccc2C)s1 MOL19119
-COc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1OC MOL19120
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(Cl)cc2)s1 MOL19121
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc(Cl)cc1 MOL19122
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(N(C)C)cc2)s1 MOL19123
-CC(=O)Nc1ccc(C=CC(=O)c2sc(-c3nc(C)c(C(=O)C=Cc4ccc(NC(C)=O)cc4)s3)nc2C)cc1 MOL19124
-Cc1nc(-c2cccnc2)sc1C(=O)C=Cc1cccc([N+](=O)[O-])c1 MOL19125
-CC(=O)c1sc(-c2nc(C)c(C(=O)C=Cc3ccc(C=CC(=O)c4sc(-c5nc(C)c(C(C)=O)s5)nc4C)cc3)s2)nc1C MOL19126
-Cc1nc(C(N)=S)sc1C(=O)C=Cc1c(O)ccc2ccccc12 MOL19127
-Cc1nc(-c2nc(C)c(C(=O)C=Cc3ccc(N(C)C)cc3)s2)sc1C(=O)C=Cc1ccc(N(C)C)cc1 MOL19128
-Cc1ccc(C=CC(=O)c2sc(-c3nc(C)c(C(=O)C=Cc4ccc(C)cc4)s3)nc2C)cc1 MOL19129
-Cc1ccc(C=CC(=O)c2sc(C(N)=S)nc2C)cc1 MOL19130
-COc1ccc(C=CC(=O)c2sc(-c3cccnc3)nc2C)cc1 MOL19131
-CC(=O)Nc1ccc(C=CC(=O)c2sc(C(N)=S)nc2C)cc1 MOL19132
-CC(=O)Nc1ccc(C=CC(=O)c2sc(-c3cccnc3)nc2C)cc1 MOL19133
-COc1ccccc1C=CC(=O)c1sc(-c2cccnc2)nc1C MOL19134
-Cc1ccc(C=CC(=O)c2sc(-c3cccnc3)nc2C)cc1 MOL19135
-Cc1nc(-c2cccnc2)sc1C(=O)C=Cc1ccc(Cl)cc1Cl MOL19136
-Cc1nc(C(N)=S)sc1C(=O)C=Cc1cccc(O)c1 MOL19137
-COc1cc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)ccc1O MOL19138
-Cc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 MOL19139
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=Cc1ccc(Cl)c(Cl)c1 MOL19140
-COc1cc(C=CC(=O)c2sc(NNC(C)=O)nc2C)ccc1O MOL19141
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccccc2Cl)s1 MOL19142
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2ccc(C=CC(=O)c3sc(NNC(C)=O)nc3C)cc2)s1 MOL19143
-COc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 MOL19144
-CC(=O)Nc1ccc(C=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 MOL19145
-CC(=O)NNc1nc(C)c(C(=O)C=Cc2cccc([N+](=O)[O-])c2)s1 MOL19146
-CCN1C(c2ccc(Cl)cc2)=NN2C(C)=CC(C)(C)N=C12 MOL19147
-CC1=CC(C)(C)N=C2SC(c3ccc(Cl)cc3)=NN12 MOL19148
-CC1=Nn2c(nnc2-c2cccc(N)c2)NC(C)(C)C1 MOL19149
-CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccc(N)cc1 MOL19150
-CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccc(Cl)cc1 MOL19151
-CC1=CC(C)(C)N=C2SC(c3ccc(N)cc3)=NN12 MOL19152
-CC1=NN2C(=NC(C)(C)C1)NN=C2c1ccccc1Cl MOL19153
-NC(=O)CCC(NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O MOL19154
-O=C1NN=C(c2ccc([N+](=O)[O-])cc2)C1n1nc(-c2ccccc2)c2ccccc2c1=O MOL19155
-C(=CC(Sc1ccccc1)c1ccccc1)NNC1=NC(c2ccccc2)C(c2ccccc2)=NN1 MOL19156
-Nc1ccccc1SC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 MOL19157
-Cc1ccccc1SC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 MOL19158
-Clc1ccc(SC(C=CNNC2=NC(c3ccccc3)C(c3ccccc3)=NN2)c2ccccc2)cc1 MOL19159
-S=C(Nc1ccccc1)Nc1ccccc1SC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 MOL19160
-O=C(Nc1ccccc1SC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1)c1ccc(Cl)cc1Cl MOL19161
-O=C(c1ccc(Cl)cc1Cl)N(N=CC=Cc1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 MOL19162
-O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(N=CC=Cc1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 MOL19163
-Cc1ccc(S(=O)(=O)N(N=CC=Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 MOL19164
-S=C(Nc1ccccc1)N(N=CC=Cc1ccccc1)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 MOL19165
-BrC(C=NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(Br)c1ccccc1 MOL19166
-CC(C=CNNC1=NC(c2ccccc2)C(c2ccccc2)=NN1)Sc1ccccc1N MOL19167
-Cc1ccc(SC(C)C=CNNC2=NC(c3ccccc3)C(c3ccccc3)=NN2)cc1 MOL19168
-CC=CC=NN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1=NC(c2ccccc2)C(c2ccccc2)=NN1 MOL19169
-CC=CC=NN(c1nnc(-c2ccccc2)c(-c2ccccc2)n1)S(=O)(=O)c1ccc(C)cc1 MOL19170
-NC(=O)c1coc(C2OC(CO)C(O)C2O)n1 MOL19171
-N#Cc1nc(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)oc1N MOL19172
-NC(CCSCCF)C(=O)O MOL19173
-Nc1ncnc2c1ncn2C1OC(CSC(F)F)C(O)C1O MOL19174
-Nc1ncnc2c1ncn2C1OC(CSC(F)(F)F)C(O)C1O MOL19175
-C[N+](C)(O)CCCNc1ccnc2cccc([N+](=O)[O-])c12.Cl.[Cl-] MOL19176
-CN(C)CCCNc1cc[n+](C)c2cccc([N+](=O)[O-])c12.Cl.[Cl-] MOL19177
-CN(C)CCNC(=O)Cn1ccc(=O)c2c([N+](=O)[O-])cccc21.Cl MOL19178
-CN(C)CCNC(=O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21.Cl MOL19179
-CN(C)CCNC(=O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21.Cl MOL19180
-CN(C)CCNC(=O)Cn1cnc2cccc([N+](=O)[O-])c2c1=O.Cl MOL19181
-O=C(O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21.[NaH] MOL19182
-O=C(O)Cn1ccc(=O)c2c([N+](=O)[O-])cccc21.[NaH] MOL19183
-O=C(O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21.[NaH] MOL19184
-O=C(O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21.[NaH] MOL19185
-Cc1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 MOL19186
-Cc1ccccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1 MOL19187
-Cc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1 MOL19188
-COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C)c2-c2ccccc2)cc1 MOL19189
-N#CCCN(CCC#N)c1ccc(C(Sc2ccccc2)C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1 MOL19190
-CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL19191
-COc1ccccc1N=NC(C(=O)c1ccccc1)C(=O)c1ccccc1 MOL19192
-COc1ccc(N=NC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 MOL19193
-COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2ccccc2Cl)c1-c1ccccc1 MOL19194
-COc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(C)c2)c1-c1ccccc1 MOL19195
-COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1 MOL19196
-CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Cl)cc1.Cl MOL19197
-CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Cl)c(Cl)c1.Cl MOL19198
-COc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl MOL19199
-OCCSCCC(=NN=C(CCSCCO)c1ccccc1)c1ccccc1 MOL19200
-CC(=O)OC1CCC2(C)C(=O)C34CC5(C)C(C(C)CCCC(C)C)CCC5(C)C(O)(O3)C(=O)C4C2C1(C)C MOL19201
-O=C([O-])c1ccc2c(c1)C1=NC3=c4ccc(C(=O)[O-])cc4=C4N=C5c6ccc(C(=O)[O-])cc6C6=[N+]5[Gd+3]5([N+]1=C2N=C1c2cc(C(=O)[O-])ccc2C(=N6)[NH+]15)[NH+]34.[K+] MOL19202
-Cc1nc(Cl)nc2c1C(=O)Nc1ccccc1N2 MOL19203
-COC(=O)C1Cc2c3n(c4ccccc24)C(=O)CCC3N1C MOL19204
-COC(=O)N1CC(=O)C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 MOL19205
-Cc1cc(Cl)ccc1C(=O)c1ccc2ccccc2c1C(=O)O MOL19206
-Cc1cc(Cl)ccc1C1OC(=O)c2c1ccc1ccccc21 MOL19207
-COc1ccc(C2OC(=O)c3ccc4ccccc4c32)c(C)c1 MOL19208
-COc1ccc(C2OC(=O)c3c2ccc2ccccc32)c(C)c1 MOL19209
-C=C1CCC2CC1C(C(=O)c1c[nH]c3ccccc13)=NC2(C)C MOL19210
-CC1=CCC2CC1C(C(=O)c1c[nH]c3ccccc13)=NC2(C)C MOL19211
-CCCCC(C)CCC(O)=C1C(=O)OC(CC(=O)O)C1=O MOL19212
-CCCCC(C)CCCC1=C(O)C(CC(=O)O)OC1=O MOL19213
-CCCCC(C)CCCC1=C(O)C(=CC(=O)O)OC1=O MOL19214
-O=C(O)CC1OC(=O)C(Br)=C1O MOL19215
-C1=CC2CC1C1C(=C3Sc4ccccc4S3)c3nccnc3C(=C3Sc4ccccc4S3)C21 MOL19216
-CCCCCCCCCCCCSC(=S)c1c(C)nn(-c2ccccc2)c1O MOL19217
-O=S(=O)(O)c1cc(N=Nc2c(O)ncnc2O)ccc1C=Cc1ccc(N=Nc2c(O)ncnc2O)cc1S(=O)(=O)O.[NaH] MOL19218
-O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccccc1Cl)c1ccccc1Cl MOL19219
-O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccccc1F)c1ccccc1F MOL19220
-O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL19221
-O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 MOL19222
-O=C(N=C(Nc1ccccc1)SCSC(=Nc1ccccc1)NC(=O)c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl MOL19223
-CCN=C(NC(=O)c1ccccc1Cl)SCSC(=NC(=O)c1ccccc1Cl)NCC MOL19224
-CCN=C(NC(=O)c1ccccc1F)SCSC(=NC(=O)c1ccccc1F)NCC MOL19225
-CCN=C(NC(=O)c1ccc(Cl)cc1)SCSC(=NC(=O)c1ccc(Cl)cc1)NCC MOL19226
-CCN=C(NC(=O)c1ccc(F)cc1)SCSC(=NC(=O)c1ccc(F)cc1)NCC MOL19227
-CCN=C(NC(=O)c1c(Cl)cccc1Cl)SCSC(=NC(=O)c1c(Cl)cccc1Cl)NCC MOL19228
-CCOC(=O)N1C2C=CC(C2)N1C(=O)Nc1ccc(Cl)cc1 MOL19229
-CCOC(=O)N1CC(C)=C(C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 MOL19230
-CSC1=C(C#N)C(c2ccccc2)CC(=O)N1 MOL19231
-CC(C)=CCCc1c(C)ccc2c1C(=O)C(O)=C(C(C)C)C2=O MOL19232
-CCC1=CCN(c2ccccn2)OC1c1ccc(OC)cc1 MOL19233
-Cc1nc2ccccn2c1N=Nc1ccc(C(=O)NN)cc1 MOL19234
-COC(=O)C12C3C4C1C1C2C3C41C(=O)O MOL19235
-COC(=O)C12C3C4C1C1C2C3C41I MOL19236
-CC1(C)COC(C23C4C5C2C2C3C4C52I)=N1 MOL19237
-CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C#N)C(C)C MOL19238
-OCC12C3C4C1C1C2C3C41CO MOL19239
-O=C(O)CC12C3C4C5C3C1C5C42 MOL19240
-CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)C MOL19241
-O=C(O)C12C3C4C1C1C2C3C41I MOL19242
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41I)C(C)C MOL19243
-CN(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)(C)C MOL19244
-CN(C(=O)C12C3C4C1(C(=O)O)C1C2C3(C(=O)O)C41C(=O)N(C)C(C)(C)C)C(C)(C)C MOL19245
-CN(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)(C)C MOL19246
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C)C(C)C MOL19247
-CC(C)N(C(=O)C12C3C4C1(I)C1C2C3(I)C41C(=O)N(C(C)C)C(C)C)C(C)C MOL19248
-CN(C(=O)C12C3C4C1C1C2C3C41C(=O)N(C)C(C)(C)C)C(C)(C)C MOL19249
-CN(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)(C)C MOL19250
-CN(C(=O)C12C3C4C1C1C2C3C41C#N)C(C)(C)C MOL19251
-O=C1NC23C4C5C6C4C2(N1)C6C53 MOL19252
-CN(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)(C)C MOL19253
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(O)C(C)(C)C)C(C)C MOL19254
-CN(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)(C)C MOL19255
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)C(C)(C)C)C(C)C MOL19256
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)C MOL19257
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41C(N)=O)C(C)C MOL19258
-COC(=O)C12C3C4C1C1C2C3C41C(=O)N(C(C)C)C(C)C MOL19259
-CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(I)C5C42I)C(C)C MOL19260
-CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42C#N)C(C)C MOL19261
-CC(C)N(C(=O)C12C3C4C5(C(=O)O)C(C1C35I)C42C(=O)O)C(C)C MOL19262
-CC(C)N(C(=O)C12C3C4C5(C#N)C3C1(C#N)C5C42I)C(C)C MOL19263
-COC(=O)C12C3C4C5C3(C#N)C1C5(C(=O)OC)C42C(=O)N(C(C)C)C(C)C MOL19264
-CN(C(=O)C12C3C4C5C3C1(C(=O)C13C6C7C8C6C1C8C73)C5C42)C(C)(C)C MOL19265
-CC(C)N(C(=O)C12C3C4C1C1C4(C#N)C3C12C(=O)O)C(C)C MOL19266
-CN(C(=O)C12C3C4C5C3C1(C(=O)O)C5C42)C(C)(C)C MOL19267
-CC(C)N(C(=O)C12C3C4C5C3C1(C#N)C5C42)C(C)C MOL19268
-CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5C42)C(C)C MOL19269
-CC(C)N(C(=O)C12C3C4C5C3C1(C(=O)N(C(C)C)C(C)C)C5(C#N)C42)C(C)C MOL19270
-COC(=O)C12C3C4C1C1C2C3C41C(=O)OC(C)(C)C MOL19271
-CC(C)N(C(=O)C12C3C4C1C1C2C3C41C#N)C(C)C MOL19272
-COC(=O)C12C3C4C5(C(=O)OC)C(C1C35C(=O)N(C(C)C)C(C)C)C42C(=O)N(C(C)C)C(C)C MOL19273
-CC(C)N(C(=O)c1cccc(C(=O)N(C(C)C)C(C)C)c1)C(C)C MOL19274
-CC(C)N(C(=O)C1(C)CC1)C(C)C MOL19275
-COC1(OC)CCC2C1C1CCC(OC)(OC)C21 MOL19276
-O=C1C(Br)=CC2C3C=CC(Br)(C3=O)C12 MOL19277
-CC(C)N(C(=O)C12CC3CC(CC(C3)C1)C2)C(C)C MOL19278
-CCC(=O)OC1C(C)CC2(OC(C)=O)C1C(OC(C)=O)C13COC(C)(C2OC(C)=O)C1C1C(CC1(C)OC(C)=O)C(OC(=O)c1ccccc1)C3=O MOL19279
-NC(=O)C12C3C4C1C1C2C3C41C(N)=O MOL19280
-O=C(NO)C12C3C4C1C1C2C3C41C(=O)NO MOL19281
-CC(C)c1cccc(C(C)C)c1NC1=CC(=O)C(=O)c2ccccc21 MOL19282
-CCCCCCN(CCCCCC)C1=CC(=O)C(=O)c2ccccc21.Cl MOL19283
-COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)nc1CC(=O)C(=O)NC1C2CC3CC(C2)CC1C3 MOL19284
-CCc1cccc(C)c1NC(=S)NC(=O)c1ccccc1C(=O)NC(=S)Nc1c(C)cccc1CC MOL19285
-CCOc1ccc(NC(=O)C(=O)NO)cc1 MOL19286
-O=C(NO)C(=O)Nc1cc(Cl)ccc1Cl MOL19287
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C)s1 MOL19288
-O=C(NO)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] MOL19289
-COc1ccc(NC(=O)C(=O)NO)c(OC)c1 MOL19290
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)c(C)c2)s1 MOL19291
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])s1 MOL19292
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccccc2C#N)s1 MOL19293
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 MOL19294
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)(C)C)s1 MOL19295
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 MOL19296
-NN=C(C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL19297
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2cccc(C(C)=O)c2)s1 MOL19298
-CNN=C(C(=O)Nc1ccc(C)c(C)c1)C(C(=O)OC)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19299
-NS(=O)(=O)C1CCCCC1C(=O)NNC(=O)C(=O)Nc1n[nH]c(=S)[nH]1 MOL19300
-N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19301
-O=C(Nc1cccc(O)c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19302
-O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19303
-O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19304
-O=C(Nc1ccc(F)cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19305
-CCOc1ccc(NC(=O)C(=O)CC(=O)c2sc(NNC(C)=O)nc2C)cc1 MOL19306
-O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19307
-Cc1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1Cl MOL19308
-CC(=O)c1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1 MOL19309
-CC(=O)C(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1csc(=N)[nH]1 MOL19310
-O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19311
-Cc1ccc(C)c(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c1 MOL19312
-O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19313
-O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)C2C=CC=CC21 MOL19314
-COc1cccc(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1 MOL19315
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19316
-CCOc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccccc3F)C3OC(=O)c4ccccc43)sc2c1 MOL19317
-COc1ccc(OC)c(NC(=O)C(=O)C(C(=O)c2ccccc2F)C2OC(=O)c3ccccc32)c1 MOL19318
-COc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19319
-COC(=O)C(C(=O)C(=O)Nc1ccc(Br)cc1)c1nc2ccc(Cl)cc2nc1O MOL19320
-CCOc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccccc3-c3ccccc3)C3OC(=O)c4ccccc43)sc2c1 MOL19321
-Cc1nc(Nc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)sc1C(=O)CC(=O)Cc1nc2ccc(Cl)cc2nc1O MOL19322
-COC(=O)C(C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(Cl)cc2nc1O MOL19323
-COC(=O)C(C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nc2ccc(Cl)cc2nc1O MOL19324
-COC(=O)C(C(=O)C(=O)Nc1cccc(O)c1)c1nc2ccc(Cl)cc2nc1O MOL19325
-COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O MOL19326
-COC(=O)C(C(=O)C(=O)Nc1ccc(N)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O MOL19327
-O=C(Nc1ccc(Cl)cc1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19328
-COc1ccc(OC)c(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3nc2O)c1 MOL19329
-COc1cccc(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3nc2O)c1 MOL19330
-CC(=O)c1ccc(NC(=O)C(=NNC(N)=O)C(C#N)CC(C)(C)C=O)cc1 MOL19331
-COC(=O)C(=O)C(C(C)=O)C(=O)C(=O)Nc1ccc(C)cc1C MOL19332
-N=c1[nH]c2c(ncn2C2CCC(CO)O2)c(=O)n1C(=O)c1ccccc1 MOL19333
-O=c1ccn(C2CSCC(CO)C2)c(=O)[nH]1 MOL19334
-O=c1ccn(C2CC(CO)CS(=O)C2)c(=O)[nH]1 MOL19335
-O=c1ccn(C2CC(O)C(CO)C2)c(=O)[nH]1 MOL19336
-O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1I MOL19337
-O=c1[nH]c(=O)n(C2CC(O)C(CO)C2)cc1C=CBr MOL19338
-[N-]=[N+]=NC1CC(n2cc(C=CBr)c(=O)[nH]c2=O)CC1CO MOL19339
-COC1=CC(=O)C(O)=C(CC2(C)C(C)CC=C3C2CCCC3(C)C)C1=O MOL19340
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3C(C#N)CC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O MOL19341
-CCCCCCCCCCCCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N MOL19342
-CCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL19343
-CCCCCCCCCCCCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL19344
-CCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N MOL19345
-CCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N MOL19346
-CCCCCC=C(c1cc(Cl)c(OC)c(C(N)=O)c1)c1cc(Cl)c(OC)c(C(N)=O)c1 MOL19347
-O=C([O-])c1ccc2c(c1)C1=NC3=c4ccc(C(=O)[O-])cc4=C4N=C5c6cc(C(=O)[O-])ccc6C6=[N+]5[Fe-2]5([N+]1=C2N=C1c2cc(C(=O)[O-])ccc2C(=N6)[NH+]15)[NH+]34 MOL19348
-NC(=O)c1ccc2c(c1)C1=NC3=c4ccc(C(N)=O)cc4=C4N=C5c6ccc(C(N)=O)cc6C6=[N+]5[Co-2]5([N+]1=C2N=C1c2cc(C(N)=O)ccc2C(=N6)[NH+]15)[NH+]34 MOL19349
-O=S(O)(=[OH+])c1ccc2c(c1)C1=NC3=c4ccc(S(=O)(O)=[OH+])cc4=C4N=C5c6cc(S(=O)(O)=[OH+])ccc6C6=[N+]5[Cu-3]5([N+]1=C2N=C1c2cc(S(=O)(O)=[OH+])ccc2C(=N6)[NH+]15)[NH+]34.[Na+] MOL19350
-O=Cc1c(O)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc2ccccc12 MOL19351
-CC(C)(C)c1cc(C(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O.[NaH] MOL19352
-CC(C)(C)c1cc(C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O.[NaH] MOL19353
-CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C(C)(C)C)C1=O.[NaH] MOL19354
-O=C1N=C2N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)N2Sc2ccccc21 MOL19355
-O=C1NC(=O)c2c1n(Cc1ccccc1)c(=O)n2Cc1ccccc1 MOL19356
-O=C1c2c(n(Cc3ccccc3)c(=O)n2Cc2ccccc2)C(=O)N1Cc1ccccc1 MOL19357
-NC(=O)c1cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 MOL19358
-CCOC(=O)c1cn(Cc2ccccc2)c(=O)n1Cc1ccccc1 MOL19359
-CN(N=O)C(=O)ON1C(=O)CCC1=O MOL19360
-NC(CCCNCc1ccccc1)C(=O)O MOL19361
-NC(CCCNCc1ccccc1O)C(=O)O MOL19362
-NC(CCCCNCc1ccccc1)C(=O)O MOL19363
-NC(CCCCNCc1ccccc1O)C(=O)O MOL19364
-NCC(NC(=O)OCc1ccccc1)C(=O)O MOL19365
-COS(=O)(=O)OCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL19366
-O=C(NCCCl)SCCO MOL19367
-CCOC(=O)CSC(=O)NCCCl MOL19368
-COC(=O)C1C(O)CC(c2ccccn2)N(Cc2ccccc2)C1c1ccccn1 MOL19369
-CC(=NNC(=S)Nc1ccccc1)C1C2CCC(C2)C1CC=CCCCC(=O)O MOL19370
-CCC(=O)OC(C)CC1SCCCS1 MOL19371
-CCN(CC)C(=CCl)Nc1ccccn1.[O-][Cl+3]([O-])([O-])O MOL19372
-CCNc1c(C(=O)N(CC)CC)c(O)nc2ncccc12 MOL19373
-C1=NN(Cc2ccccc2)C(N(Cc2ccccc2)Cc2ccccc2)N1 MOL19374
-CC(=NNC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1)c1cc2ccccc2oc1=O MOL19375
-CC(=NNC(=O)CC(=O)Nc1ccccc1Cl)c1cc2cc(N=Nc3ccccc3Cl)ccc2oc1=O MOL19376
-COc1ccc(NC(=O)CC(=O)NN=C(C)c2cc3cc(N=Nc4ccccc4Cl)ccc3oc2=O)cc1 MOL19377
-Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1ccccc1 MOL19378
-Cc1cccc(NC(=O)C=Cc2ccc(N(CCC#N)CCC#N)cc2C)c1 MOL19379
-Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1ccccc1Cl MOL19380
-Cc1cc(N(CCC#N)CCC#N)ccc1C=CC(=O)Nc1cccc(Cl)c1 MOL19381
-Cc1cc(N(CCC#N)CCC#N)ccc1CC1N=C(c2ccccc2)OC1=O MOL19382
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2ccccc2)N(N)C1=O MOL19383
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1CN(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2ccccc2)C(c2ccccc2)=N1 MOL19384
-Cc1cccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)c1 MOL19385
-CCOC(=O)c1ccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)cc1 MOL19386
-Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=Nc1ccc(C(=O)O)cc1 MOL19387
-N#CCCN(c1ccc(C=Nc2nc(-c3ccccc3)cs2)cc1)S(=O)(=O)c1ccccc1 MOL19388
-CC(C)(C)c1cc2c(OP(c3ccccc3)c3ccccc3)c(c1)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)C2 MOL19389
-CC12CCc3ccccc3C1=NNC(=O)C2 MOL19390
-CC1OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC1=O MOL19391
-N#CC(=Nc1ccccc1N(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 MOL19392
-CO.OCC1OC(OCC(COCc2ccccc2)OCc2ccccc2)C(O)C(O)C1O MOL19393
-OC1C(CBr)OC(OCC(COCc2ccccc2)OCc2ccccc2)C(O)C1O MOL19394
-CCCCCCCCCCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OCCCCCCCCCCCCCCCC.ClC(Cl)Cl MOL19395
-CCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL19396
-CCCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL19397
-CCCCCCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL19398
-CCCCCC.CCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL19399
-CCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL19400
-CCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL19401
-CCCCCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 MOL19402
-CCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 MOL19403
-CCCCCCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL19404
-CCCCCCCCCCCCCCCCCCCCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL19405
-CCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 MOL19406
-CCCCCCCCCCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O.ClC(Cl)Cl MOL19407
-CCCCCCCCCCCCOC1OC(CO)C(O)C(O)C1O MOL19408
-CCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL19409
-CCCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL19410
-CCCCCCCc1ccc(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL19411
-CCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.ClC(Cl)Cl MOL19412
-CCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.ClC(Cl)Cl MOL19413
-CCCCCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1.ClC(Cl)Cl MOL19414
-CCOc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 MOL19415
-CCOc1ccccc1N=Nc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 MOL19416
-CCOc1ccccc1N=Nc1ccc2oc(=O)c(C(C)=O)cc2c1 MOL19417
-COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(Cl)c3)c2-c2ccccc2)cc1 MOL19418
-N#CCCN(c1ccc(-c2nnc(NC(=O)CNNC(=O)CC(=O)Nc3ccccc3)s2)cc1)S(=O)(=O)c1ccccc1 MOL19419
-COc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccc(OC)cc3)c2-c2ccccc2)cc1 MOL19420
-O=c1ccc2nc3cc(Br)ccc3sc-2c1 MOL19421
-O=c1ccc2nc3cc(Cl)ccc3sc-2c1 MOL19422
-O=c1c(Br)cc2nc3ccccc3sc-2c1Br MOL19423
-O=c1c(Cl)cc2nc3ccccc3sc-2c1Cl MOL19424
-Cc1ccc2nc3c(Cl)cc(=O)cc-3sc2c1 MOL19425
-Cc1cc(=O)cc2sc3cc(Cl)ccc3nc1-2 MOL19426
-Cc1c2nc3ccccc3sc-2cc(=O)c1C MOL19427
-Cc1cc(=O)cc2sc3c(C)cccc3nc1-2 MOL19428
-Cc1ccc2nc3c(C)cc(=O)cc-3sc2c1 MOL19429
-Cc1ccc2sc3cc(=O)cc(C)c-3nc2c1 MOL19430
-Cc1ccc2nc3cc(C)c(=O)cc-3sc2c1 MOL19431
-Cc1ccc(C)c2sc3cc(=O)ccc-3nc12 MOL19432
-Cc1ccc2nc3c(Cl)c(C)c(=O)cc-3sc2c1 MOL19433
-Cc1ccc2nc3c(C)c(Cl)c(=O)cc-3sc2c1 MOL19434
-CCN(CC)CCOc1ccc(C(=C2CCCCC2)c2ccc(OCCN(CC)CC)cc2)cc1 MOL19435
-CCN(CC)CCOc1ccc(C=C(C#N)c2ccc(OCCN(CC)CC)cc2)cc1 MOL19436
-CCN(CC)CCNC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1C(=O)NCCN(CC)CC MOL19437
-O=C1CCC(=O)c2ccccc2N1 MOL19438
-O=C1CCC(=O)c2cc(Br)ccc2N1 MOL19439
-O=C1CCC(=O)c2sccc2N1 MOL19440
-O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1 MOL19441
-O=C1Cc2c([nH]c3ccccc23)-c2cc(Br)ccc2N1 MOL19442
-CC(C)=CC(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 MOL19443
-CCOC(=O)CCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 MOL19444
-CC=CC=CC(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 MOL19445
-CC(=O)Oc1ccccc1C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21 MOL19446
-CC(=O)OC(C)C(=O)C1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 MOL19447
-O=C1c2c(O)cccc2C(C(=O)CCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)c2cccc(O)c21 MOL19448
-O=C1c2c(O)cccc2C(C(=O)CCCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)c2cccc(O)c21 MOL19449
-O=C1c2c(O)cccc2C(C(=O)CCCCCC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)c2cccc(O)c21 MOL19450
-Cc1ccc(SC2C(C)(C)N(C(C)C)P2(=O)N(C(C)C)C(C)C)cc1 MOL19451
-O=C1C(=Cc2ccc(F)cc2)C(=O)c2ccccc21 MOL19452
-O=C1C(=Cc2c(O)cc(O)cc2O)C(=O)c2ccccc21 MOL19453
-O=C1C2=C(c3ccccc31)C(c1ccccc1)NC(=S)N2 MOL19454
-O=C1C2=C(c3ccccc31)C(c1cccc(Cl)c1)NC(=S)N2 MOL19455
-CC(C)c1ccc(C2NC(=S)NC3=C2c2ccccc2C3=O)cc1 MOL19456
-O=C1C2=C(c3ccccc31)C(c1ccccc1)N1C(=O)CSC1=N2 MOL19457
-CC(C)c1ccc(C2C3=C(N=C4SCC(=O)N42)C(=O)c2ccccc23)cc1 MOL19458
-CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccc(F)cc3)N2C1=O MOL19459
-O=C1C2=C(c3ccccc31)C(c1ccc(F)cc1)N1C(=O)CCSC1=N2 MOL19460
-O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)NC(=S)N2 MOL19461
-O=C1C2=C(c3ccccc31)C(c1ccc(Cl)cc1)NC(=S)N2 MOL19462
-O=C1C2=C(c3ccccc31)C(c1ccc([N+](=O)[O-])cc1)NC(=S)N2 MOL19463
-O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)N1C(=O)CSC1=N2 MOL19464
-CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccccc3Cl)N2C1=O MOL19465
-CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccc(Cl)cc3)N2C1=O MOL19466
-CC1SC2=NC3=C(c4ccccc4C3=O)C(c3ccc(Br)cc3)N2C1=O MOL19467
-O=C1C2=C(c3ccccc31)C(c1ccccc1Cl)N1C(=O)CCSC1=N2 MOL19468
-O=C1C2=C(c3ccccc31)C(c1ccc(Cl)cc1)N1C(=O)CCSC1=N2 MOL19469
-O=[N+]([O-])c1ccc(C2=Nc3ccccc3SC(c3ccccc3)C2)cc1 MOL19470
-O=S1c2ccccc2N=C(c2ccc3ccccc3c2)CC1c1ccccc1 MOL19471
-CC1CC(c2ccccc2)=Nc2ccccc2S1 MOL19472
-O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccc(F)cc2)CC(c2ccc(Cl)c(Cl)c2)N1 MOL19473
-Brc1ccc(C2CC(c3cccc4ccccc34)=Nc3ccccc3S2)cc1 MOL19474
-O=C(c1ccccc1)c1ccc2c(c1)N=C(c1ccc(Cl)c(Cl)c1)CC(c1ccc3ccccc3c1)N2 MOL19475
-O=C(NC1C=Nc2ccc([N+](=O)[O-])cc2NC1=O)c1cc(Cl)cc([N+](=O)[O-])c1 MOL19476
-CC1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2S1=O MOL19477
-COC(=O)C(Cc1ccc2c(c1)OCO2)(NC(=O)c1ccccc1)P(=O)(OC)OC MOL19478
-COC(=O)C(NC(=O)c1ccccc1)C(c1ccc(Cl)cc1)P(=O)(OC)OC MOL19479
-COC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)(NC(=O)c1ccccc1)P(=O)(OC)OC MOL19480
-COC(=O)C(Cc1ccc(N(C)C)cc1)(NC(=O)c1ccccc1)P(=O)(OC)OC MOL19481
-CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)NN=C1C(=NNC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)C(c2ccc3c(c2)OCO3)Oc2ccccc21 MOL19482
-COC(=O)C(NC(=O)c1ccccc1)C(c1c(O)cc(O)cc1O)P(=O)(OC)OC MOL19483
-O=C(CCC(=O)Nc1ccccc1C(F)(F)F)NN=C1C(=NNC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)C(c2ccc3c(c2)OCO3)Oc2ccccc21 MOL19484
-CCCCNC1=C2C(=O)NN=C2CO1 MOL19485
-Cc1ccccc1NC(=O)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-] MOL19486
-O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-] MOL19487
-O=C(Nc1ccc(F)cc1)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-] MOL19488
-CC1CC(=O)C(CC(=O)O)C1C(C(=O)C(=O)Nc1c(C#N)cccc1[N+](=O)[O-])[N+](=O)[O-] MOL19489
-Cc1ccc(NC(=O)C(=O)C(C2C(C)CC(=O)C2CC(=O)O)[N+](=O)[O-])cc1 MOL19490
-O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-] MOL19491
-Cc1ccc(C)c(NC(=O)C(=O)C(C2C(C)CC(=O)C2CC(=O)O)[N+](=O)[O-])c1 MOL19492
-CC(=O)c1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])c1 MOL19493
-COc1ccccc1NC(=O)C(=O)CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21 MOL19494
-CCOC(=O)C(=O)Nc1c(F)cc(F)cc1Br MOL19495
-O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19496
-O=C(Nc1cccc(Cl)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19497
-O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19498
-Cc1ccc2nc(NC(=O)C(=O)C(C(=O)c3ccc4ccccc4c3)C3OC(=O)c4ccccc43)sc2c1 MOL19499
-Cc1cccc(CC(C)(C)C)c1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19500
-O=C(Nc1ccc(Br)cc1)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19501
-Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19502
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OCc2ccccc21 MOL19503
-CCOc1ccccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19504
-O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19505
-CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19506
-O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19507
-COc1ccccc1NC(=O)c1nc2ccc([N+](=O)[O-])cc2nc1C MOL19508
-CCOc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)cc1 MOL19509
-Cc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)cc1C MOL19510
-CC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19511
-Cc1cc(Cl)ccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19512
-O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19513
-COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21 MOL19514
-O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19515
-O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2C1=O MOL19516
-NC(=O)C(=O)CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21 MOL19517
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1nc(=N)[nH][nH]1 MOL19518
-O=C(CC(=O)c1ccccc1NC1=Cc2ccccc2C(=O)C1=O)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O MOL19519
-Cc1cccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c1C MOL19520
-Cc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)c1ccccc1F)C1OC(=O)c2ccccc21 MOL19521
-Cc1ccc(NC(=O)C(=O)C(C(=O)c2ccc3ccccc3c2)C2OC(=O)c3ccccc32)c(C)c1 MOL19522
-Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19523
-O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2C1=O MOL19524
-O=C(Nc1n[nH]c(=S)[nH]1)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19525
-NC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc2ccccc2c1)C1OC(=O)c2ccccc21 MOL19526
-O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)cc2)c2ccccc2C1=O MOL19527
-CC(=O)c1cccc(NC(=O)C(=O)C(C(=O)NN)c2ccccc2)c1 MOL19528
-CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O MOL19529
-CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O MOL19530
-O=c1c(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 MOL19531
-CC1NC(=O)C2CCCCN2C(=O)CN(C)C(=O)CNC(=O)C2CCCCN2C(=O)C(NC(=O)c2nc3ccccc3cc2O)C(C)NC(=O)C2CCCCN2C(=O)CN(C)C(=O)CNC(=O)C2CCCCN2C(=O)C1NC(=O)c1nc2ccccc2cc1O MOL19532
-Nc1ncnc2c1ncn2C1CC(CO)CO1 MOL19533
-CN(C)CCn1nnc2cccc3cccc1c32.Cl MOL19534
-CN(C)CC[n+]1nc2cccc3cccc([nH]1)c32.[Cl-] MOL19535
-CN(C)CCC[n+]1nc2cccc3cccc([nH]1)c32.[Cl-] MOL19536
-CN(C)CCCn1nnc2cccc3cccc1c32.Cl MOL19537
-COc1cc(C2=NN(C)C(c3ccc([N+](=O)[O-])o3)C2)cc(OC)c1OC MOL19538
-O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Cl)cc3)SS2)=C2C=C(c3ccc(Cl)cc3)SS2)c(Cl)c1Cl MOL19539
-O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(Br)cc3)SS2)=C2C=C(c3ccc(Br)cc3)SS2)c(Cl)c1Cl MOL19540
-Cc1cccc(C2=CC(=C(SSC(C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)=C3C=C(c4cccc(C)c4)SS3)C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)SS2)c1 MOL19541
-O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccc(F)cc3)SS2)=C2C=C(c3ccc(F)cc3)SS2)c(Cl)c1Cl MOL19542
-O=C(O)COc1ccc(C(=O)C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccccc3Cl)SS2)=C2C=C(c3ccccc3Cl)SS2)c(Cl)c1Cl MOL19543
-Cc1ccccc1C1=CC(=C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=C2C=C(c3ccccc3C)SS2)C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)SS1 MOL19544
-CN1CCCNCCN(CCc2ccccn2)CCCN(C)CC1 MOL19545
-COc1ccc(-c2cn3ccsc3n2)cc1 MOL19546
-c1cc(-c2cn3ccsc3n2)ccn1 MOL19547
-Cc1cn2cc(-c3ccncc3)nc2s1 MOL19548
-Cc1csc2nc(-c3ccncc3)cn12 MOL19549
-c1cc(-c2cn3c(n2)SCC3)ccn1 MOL19550
-CSc1ccc(-c2cn3ccsc3n2)c(O)c1 MOL19551
-NC(=O)COC(=O)c1c(Cl)nc2sccn12 MOL19552
-O=C1[OH+][B-](c2ccccc2)(c2ccccc2)NC1CS MOL19553
-CC(=O)OC1C(OC2CCC34OC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)OCC(O)C1O MOL19554
-COc1ccc(C)cc1-c1cc(Sc2ccccc2)c(-c2cc(C)ccc2OC)o1 MOL19555
-COc1ccc(C)cc1-c1ccc(-c2cc(C)ccc2OC)o1 MOL19556
-CC1C=C(Sc2ccccc2)C(=O)O1 MOL19557
-CC(C)(C)C1C=C(Sc2ccccc2)C(=O)O1 MOL19558
-C[n+]1cn(CC(=O)c2ccccc2)c(C(N)=O)c1N.[Br-] MOL19559
-COc1cc(-c2nnc3n2NC=C(C(=O)O)S3)cc(OC)c1OC MOL19560
-Cn1ncc2c(c1=O)Nc1ccccc1S2(=O)=O MOL19561
-O=C(O)CN(CC(=O)O)Cc1cc(C#Cc2ccc(C#Cc3ccccc3)cc2)cc(CN(CC(=O)O)CC(=O)O)n1 MOL19562
-C#Cc1cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)nc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c1 MOL19563
-CCOC(OC(C)=O)C1C=CC(C)N(c2ccc([N+](=O)[O-])cc2)O1 MOL19564
-O=C1C2C3C=C4c5ccccc5N(c5ccccc5)C4(C2C(=O)N1c1ccc([N+](=O)[O-])cc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C31 MOL19565
-O=C1NC(=O)C2C1C1C=C3c4ccccc4N(c4ccccc4)C32C2C(=O)NC(=O)C12 MOL19566
-O=C1c2ccccc2C(=O)c2c1ccc1c3ccccc3n(-c3ccccc3)c21 MOL19567
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3ccccc3)c21 MOL19568
-COc1ccc2[nH]c3c4c(ccc3c2c1)C(=O)C=CC4=O MOL19569
-COc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O MOL19570
-CC1CCCC2(O1)OC1CC(=O)OC1C1=C2C(=O)c2ccccc2C1=O MOL19571
-COC(=O)CCC(=O)CC(=O)C(=O)Nc1ccc(F)cc1 MOL19572
-COC(=O)C(Cc1nc2ccccc2nc1O)C(NO)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl MOL19573
-COC(=O)c1ccccc1NC(=O)C(=O)Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O MOL19574
-CCOC(=O)Cc1nc2ccc3c(c2nc1O)C(=O)c1ccccc1C3=O MOL19575
-CCCCN(CC)C(=O)C(=O)C1C(=O)Nc2ccccc2S1=O MOL19576
-COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 MOL19577
-COC(=O)C(Cc1nc2ccccc2nc1O)C(=NNC(C)(C)C)C(=O)Nc1c(C)cc(Br)cc1C MOL19578
-COc1cccc(NC(=O)C(CS(=O)(=O)CCC(C(C)=O)C(C)=O)=NNC(C)(C)C)c1 MOL19579
-CCOP(=O)(OCC)C(C(=O)OC)C(=O)C(=O)Nc1c(C)cc(Br)cc1C MOL19580
-CCOP(=O)(OCC)C(C(=O)OC)C(=O)C(=O)Nc1ccc(Cl)cc1Cl MOL19581
-COC(=O)C(CC(C)=O)CS(=O)(=O)CC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 MOL19582
-COC(=O)C(=NO)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 MOL19583
-CC(=O)c1ccc(NC(=O)C(CC(=O)c2sc(-c3cccnc3)nc2C)=NNC(N)=O)cc1 MOL19584
-COC(=O)C(=NNC(C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 MOL19585
-COC(=O)C(=NNC(C)(C)C)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1C MOL19586
-COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C MOL19587
-CC(=O)c1ccc(NC(=O)C(=O)C(C#N)CC(C)(C)C=O)cc1 MOL19588
-COc1ccc(NC(=O)C(Cc2cc(=O)oc3cc(O)ccc23)=NNC(C)(C)C)c(OC)c1 MOL19589
-COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=NN)C(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)O MOL19590
-O=C(Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O)C(=O)Nc1ccccc1[N+](=O)[O-] MOL19591
-COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] MOL19592
-CC(C)(C=O)CC(C#N)C(=NNC(N)=O)C(=O)Nc1ccccc1C(N)=O MOL19593
-COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2sc(NNC(C)=O)nc2C)c1 MOL19594
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)s1 MOL19595
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 MOL19596
-CNN=C(CC(=O)c1sc(NNC(C)=O)nc1C)C(=O)Nc1ccc(OC)cc1OC MOL19597
-CNN=C(CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL19598
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)s1 MOL19599
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc(Cl)cc2)s1 MOL19600
-N#Cc1ccccc1NC(=O)C(=NN)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 MOL19601
-COC(=O)C(C(=NN)C(=O)Nc1cc(Cl)ccc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19602
-COc1ccc(NC(=O)C(=O)NNC(=O)c2sc(NNC(C)=O)nc2C)c([N+](=O)[O-])c1 MOL19603
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=NN)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL19604
-CNN=C(Cc1occc(=O)c1O)C(=O)Nc1ccccc1C MOL19605
-CNN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc(C)c(C)c1 MOL19606
-NN=C(C(=O)Nc1cccc(Cl)c1)C(C(=O)c1ccc(O)cc1O)C1OC(=O)c2ccccc21 MOL19607
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)s1 MOL19608
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)s1 MOL19609
-CNN=C(C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL19610
-CC(=O)NNc1nc(C)c(C(=O)NNC(=O)C(=O)Nc2c(C)cccc2C(C)C)s1 MOL19611
-COC(=O)C(=O)C(C(=NN)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19612
-Cc1cc(C)nc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 MOL19613
-Cc1cc(-c2ccccc2)nc(Nc2cc3ccccc3[nH]2)n1 MOL19614
-Cc1cc(-c2ccccc2)nc(Nc2nc3ccccc3o2)n1 MOL19615
-N.O=C(O)c1cc(C(=CCCBr)c2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O MOL19616
-CCCCCCCCCCC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1.N MOL19617
-COC(=O)c1cc(C(=CCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL19618
-CCCCCCCCCC=C(c1cc(Br)c(O)c(C(=O)O)c1)c1cc(Br)c(O)c(C(=O)O)c1.N MOL19619
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=CCCC5CCC6(C)C(CCC7C6CCC6(C)C(C(C)CCCC(C)C)CCC76)C5)CCC4(C)C3CCC12C MOL19620
-COc1ccc(C2OC(=O)c3ccnc(O)c32)cc1 MOL19621
-O=C1CN2CC(c3ccccc3)OC2c2ccccc2N1 MOL19622
-CCCC1(CCCNC(=O)c2ccccc2)OCc2ccccc2CO1 MOL19623
-O=S(c1ccccc1)C1CC2C3CC4C2C4C31 MOL19624
-O=S(c1ccccc1)C1CC2C3CC4C2C4C31 MOL19625
-CC(C)N(C(C)C)[PH]12O[PH]3(N(C(C)C)C(C)C)O[PH](N(C(C)C)C(C)C)(O[PH](N(C(C)C)C(C)C)(O1)[Mo]3(C#[O+])(C#[O+])(C#[O+])C#[O+])[Mo]2(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL19626
-CC(C)N(C(C)C)[PH]12O[PH]3(N(C(C)C)C(C)C)O[PH](N(C(C)C)C(C)C)(O[PH]4(N(C(C)C)C(C)C)O[PH](N(C(C)C)C(C)C)(O1)[Cr]34(C#[O+])(C#[O+])C#[O+])[Cr]2(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL19627
-CC(C)C(=O)N1Cc2cc(Cl)cc(Cl)c2OC(=O)c2ccccc21 MOL19628
-COc1c(C)c(O)c2c(c1C)OC(c1ccccc1)CC2=O MOL19629
-COc1cc2c(c(O)c1C)C(=O)CC(c1ccccc1)O2 MOL19630
-COc1c(C)c(O)c2c(=O)cc(-c3ccccc3)oc2c1C MOL19631
-COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1C MOL19632
-CC1(C)OC2CC3COC(=O)C3CC2O1 MOL19633
-CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)O MOL19634
-O=C(O)C1CCCCC1C(=O)N(C1CCCCC1)C1CCCCC1 MOL19635
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C.[NaH] MOL19636
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=S)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)ccc1C.[NaH] MOL19637
-C=CCc1cc(OC)c2c(c1)C(O)CC(c1ccccc1)O2 MOL19638
-C=CCc1cc(OC)c2c(c1)C(O)CC(c1ccc(OC)c(OC)c1)O2 MOL19639
-COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O MOL19640
-COc1cc(C)c(C(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc1O MOL19641
-C=CCc1cc(OC)c(O)c(C(=O)C=Cc2ccc(OC)c(OC)c2)c1 MOL19642
-C=CCc1cc(OC)c2c(c1)C(OC)CC(c1ccc(OC)c(OC)c1)O2 MOL19643
-COc1cc(C2c3cc(O)c(OC)cc3CC3C(=O)OCC32)ccc1O MOL19644
-CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)CC2=O MOL19645
-C=C1CC(c2ccc(O)c(OC)c2)Oc2c(OC)cccc21 MOL19646
-C=CCc1cc(OC)c2c(c1)C(OC(C)=O)CC(c1ccc(OC)c(OC)c1)O2 MOL19647
-COc1ccc(C(=O)C(CO)Oc2ccccc2OC)cc1OC MOL19648
-COc1cc(C(=O)C(CO)Oc2ccccc2OC)ccc1O MOL19649
-Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 MOL19650
-NC(Cc1ccccc1)c1nccs1 MOL19651
-ClC(Cl)=C1C(=C(Cl)Cl)C(Cl)(Cl)C1(Cl)Cl MOL19652
-CC(C)c1c2[nH]c3ccccc3c2c(C(C)C)c2[nH]c3ccccc3c12 MOL19653
-CN1CCCC2(CCCc3ccccc32)C1.Cl MOL19654
-CCOC(=O)c1c(CN2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1 MOL19655
-CCOC(=O)C=C1Nc2ccccc2C(c2ccccc2)=NC1OC(C)=O MOL19656
-Cl.Clc1ccc(CCn2cncn2)c(Cl)c1 MOL19657
-Cl.c1ccc(CCn2cncn2)cc1 MOL19658
-COc1ccc(CCn2cncn2)cc1.Cl MOL19659
-COc1c(Br)cc(Br)c(OC)c1-c1ccc[nH]1 MOL19660
-COc1c(Br)cc(Br)c(OC)c1-c1[nH]c(Br)c(Br)c1Br MOL19661
-Oc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br MOL19662
-C=C1N=CNc2c1ncn2C1OC(COC(=O)CCCCCCCCC(=O)OCC2OC(n3cnc4c(O)ncnc43)C(O)C2O)C(O)C1O MOL19663
-NC(=O)c1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL19664
-O=C(CCCCCCCCC(=O)OCCCn1cc(C(=O)NC(=O)OCc2ccccc2)c(=O)[nH]c1=O)OCCCn1cc(C(=O)NC(=O)OCc2ccccc2)c(=O)[nH]c1=O MOL19665
-O=S1(=O)CCCS(=O)(=O)C(c2ccccc2)=C1c1ccccc1 MOL19666
-Cc1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O MOL19667
-Cc1ccccc1NC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O MOL19668
-O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1 MOL19669
-O=C(c1nc2ccccc2nc1O)C(O)c1ccccc1 MOL19670
-CC(=Cc1ccccc1)C(O)C(=O)c1nc2ccc(Cl)cc2nc1O MOL19671
-COc1cc(C(O)C(=O)c2nc3ccc([N+](=O)[O-])cc3nc2O)ccc1O MOL19672
-O=C(Nc1cccc([N+](=O)[O-])c1)C(=NNC(=O)c1ccncc1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19673
-O=C(NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 MOL19674
-O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1 MOL19675
-O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccccc1Cl MOL19676
-Cc1ccc(S(=O)(=O)NN=C(C(=O)Nc2cccc([N+](=O)[O-])c2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL19677
-NNC(=S)NN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19678
-N=C(N)NN=C(Cc1ccccc1)NN MOL19679
-COc1ccc(C(=NO)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1 MOL19680
-CCC(C(=NNC(=O)C[N+](C)(C)C)c1ccccc1)C1OC(=O)c2ccccc21.[Cl-] MOL19681
-Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc([N+](=O)[O-])cc3nc2O)C(O)c2ccc(C(O)C(=NNS(=O)(=O)c3ccc(C)cc3)c3nc4ccc([N+](=O)[O-])cc4nc3O)cc2)cc1 MOL19682
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=N)N)s1 MOL19683
-O=C(NN=C(C1=Nc2ccc(Cl)cc2NC1O)C(O)C=Cc1ccccc1)c1ccncc1 MOL19684
-NC(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1 MOL19685
-N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1 MOL19686
-CC(O)c1ccc(C(O)C(=NNC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL19687
-COc1ccc(C(=NNC(N)=O)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1 MOL19688
-COC(=O)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1 MOL19689
-CN(C)N=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1 MOL19690
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNS(=O)(=O)c2ccc(C)cc2)s1 MOL19691
-CC(C)C(OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl)C(C)C MOL19692
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC2CCCC2)c1 MOL19693
-CC(C)(C)OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl MOL19694
-Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC(C)C)c1 MOL19695
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)(C)C)c1 MOL19696
-CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC.[NaH] MOL19697
-COC(=O)N1CC2CC(=O)OCC2C1CO MOL19698
-CC12CCC3(C1)C(CC2=O)CC(OC(=O)c1ccccc1)C1C(C)(C(=O)O)CCCC13C MOL19699
-CC12CCC3(C1)C(CC2=O)CC(OC(=O)c1ccccc1)C1C(C)(CO)CCCC13C MOL19700
-CNC1C(O)CC(OC2CC=C(C)CC(C)=CC=CCCC(C)CNC(=O)C=CC=CC2C)OC1C MOL19701
-Clc1ccc(-c2nnc3n2NC(c2ccccc2)S3)c(Cl)c1 MOL19702
-Cn1c(=O)c(C(=O)NC(=O)OCc2ccccc2)cn(CCCOC(=O)CCCCCCCCC(=O)OCCCn2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)n(C)c2=O)c1=O MOL19703
-Cc1ccc(C2=C(c3ccccc3)C(Br)(c3ccccc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 MOL19704
-COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL19705
-COC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL19706
-COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)I MOL19707
-COC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)I MOL19708
-COC1C2OC(c3ccccc3)OC2C(OC)C2C3c4ccccc4C(c4ccccc43)C12 MOL19709
-CN(C)CCNC(=O)c1cccc(C(=O)Nc2ccccc2)c1[N+](=O)[O-].Cl MOL19710
-CN(C)CCNC(=O)c1cccc(N(C)C(=O)c2ccccc2)c1[N+](=O)[O-].Cl MOL19711
-Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)O)ccnc12.Cl.[Cl-] MOL19712
-CCc1ccc2nccc(NCCCN(C)C)c2c1[N+](=O)[O-].Cl MOL19713
-Cc1cccc(C(=O)NCCN(C)C)c1[N+](=O)[O-].Cl MOL19714
-CCc1cccc(C(=O)NCCN(C)C)c1[N+](=O)[O-].Cl MOL19715
-CC(C)c1cccc(C(=O)NCCN(C)C)c1[N+](=O)[O-].Cl MOL19716
-CN(C)CCNC(=O)c1cccc(C(C)(C)C)c1[N+](=O)[O-].Cl MOL19717
-CC1(C)CC2=C(CC3C4C=C5CC(C)(C)OC(=O)C5(C4)C23)C(=O)O1 MOL19718
-O=C(O)C1CSC(C(O)C(O)C(O)CO)N1 MOL19719
-CCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 MOL19720
-CC(C)NC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 MOL19721
-CCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 MOL19722
-CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 MOL19723
-O=C(CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)NC1CCCCC1 MOL19724
-O=C(CCN(C(=O)O)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1 MOL19725
-Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3C(=O)O)c2C)cc1 MOL19726
-COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccccc3C(=O)O)c2C)cc1 MOL19727
-COc1ccccc1NC(=O)CC(=O)n1nc(C)c(N=Nc2ccccc2C(=O)O)c1C MOL19728
-Cc1nn(C(=O)CC(=O)Nc2ccc(Cl)cc2)c(C)c1N=Nc1ccccc1C(=O)O MOL19729
-N#CCCN(CCC#N)c1ccc(C=C2N=C(COc3ccc(Cl)cc3Cl)OC2=O)cc1 MOL19730
-COc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C(=O)O)c2-c2ccccc2)cc1 MOL19731
-Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3C(=O)O)c2-c2ccccc2)cc1 MOL19732
-N#CC(=N)Nc1ccccc1 MOL19733
-CCN=C(C#N)NCC MOL19734
-CC(C)c1cccc(C(C)C)c1NC(=N)C#N MOL19735
-CCN(C(=N)C#N)c1ccccc1 MOL19736
-CC(=O)C1=C2SCCN2C(=O)CC1 MOL19737
-CCOP(=O)(OCC)OC(C#N)c1ccc(-c2ccccc2)cc1 MOL19738
-CCCCCCCCCCNc1nc(F)nc(Nc2cc3ccc(OC)cc3oc2=O)n1 MOL19739
-Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc([N+](=O)[O-])cc3nc2O)C(O)c2ccc([N+](=O)[O-])cc2)cc1 MOL19740
-O=[N+]([O-])c1ccc(C(O)C(=NNO)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL19741
-COc1ccc(C(=NNC(=N)N)C(c2ccc(OC)cc2)C2OC(=O)c3ccccc32)cc1 MOL19742
-ON=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl MOL19743
-NC(=S)NN=C(CC1OC(=O)c2ccccc21)c1ccc(Cl)cc1 MOL19744
-C=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(C(O)C(=O)c2nc3ccc(Cl)cc3nc2O)cc1 MOL19745
-CN(C)CC(C(Cc1ccccc1)=NNC(=S)NN)c1ccccc1 MOL19746
-CC(C)(C)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O MOL19747
-COC(=O)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O MOL19748
-O=c1c(NO)c([N+](=O)[O-])cnn1-c1ccccc1 MOL19749
-NC(=S)NNc1c([N+](=O)[O-])cnn(-c2ccccc2)c1=O MOL19750
-CC(C)(C)NN=C1C(C)(C)C(=NNC(C)(C)C)C1(C)C MOL19751
-COC(=O)NN=Cc1oc(-c2ccccc2)c(-c2ccccc2)c1[N+](=O)[O-] MOL19752
-O=[N+]([O-])c1c(C=Nc2ccccc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 MOL19753
-COc1ccc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC MOL19754
-CCCCN(CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNC(=O)c1ccncc1 MOL19755
-CCCCN(CCCC)CC(C(=O)Nc1ccccc1)C(C)=NNC(=O)c1ccncc1 MOL19756
-CC1(C)C(=O)C(C)(C)C1=NNC(N)=S MOL19757
-CC1(C)C(=O)C(C)(C)C1=NN MOL19758
-CCN(CC)CC(C(=O)Nc1c(C)cccc1C)C(C)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL19759
-CC1(C)C(=NNC(=N)N)C(C)(C)C1=NNC(=N)N MOL19760
-CC1(C)C(=NNC(=O)C[N+](C)(C)C)C(C)(C)C1=NNC(=O)C[N+](C)(C)C.[Cl-] MOL19761
-COC(=O)NN=C1C(C)(C)C(=NNC(=O)OC)C1(C)C MOL19762
-CN(C)CC(C(Cc1ccccc1)=NNC(=O)C[n+]1ccccc1)c1ccccc1.[Cl-] MOL19763
-CCCCN(CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL19764
-CCN(CC)CC(C(=O)Nc1c(C)cccc1C)C(C)=NNC(=O)c1ccncc1 MOL19765
-O=[N+]([O-])c1cccc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2cccc([N+](=O)[O-])c2)c1 MOL19766
-COC(=O)NN=C1C(C)(C)C(=O)C1(C)C MOL19767
-CCN(CC)CC(C(=O)Nc1c(C)cccc1C)C(C)=NNC(=S)NN MOL19768
-CCCCN(CCCC)CC(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=NNC(=S)NN MOL19769
-CCN(CC)CC(C(=O)Nc1c(C)cccc1C)C(C)=NNC(N)=S MOL19770
-COC(=O)NN=C(Cc1ccccc1)CN(C)C MOL19771
-CC(CC(=O)Nc1ccc(Cl)cc1)=NNC(N)=S MOL19772
-CC(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL19773
-CC(CC(=O)NCCc1ccccc1)=NNC(=O)C[n+]1ccccc1.[Cl-] MOL19774
-CC(CC(=O)Nc1ccc(C)c(C)c1)=NNC(N)=S MOL19775
-CC(CC(=O)Nc1ccc(Cl)cc1)=NNC(=O)C[n+]1ccccc1.[Cl-] MOL19776
-CC(CC(=O)Nc1ccccc1C)=NNS(=O)(=O)c1ccc(C)cc1 MOL19777
-CC(CC(=O)Nc1ccc(C)cc1C)=NNC(=N)N MOL19778
-CC(CC(=O)Nc1cc(C)ccc1C)=NNC(=N)N MOL19779
-CC(CC(=O)NCCc1ccccc1)=NNS(=O)(=O)c1ccc(C)cc1 MOL19780
-CC(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=NNC(=N)N MOL19781
-CC(=NNC(=O)C[N+](C)(C)C)c1sc(-c2cccnc2)nc1C.[Cl-] MOL19782
-CC(CC(=O)Nc1ccccc1[N+](=O)[O-])=NNC(N)=O MOL19783
-CC(CC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(N)=S MOL19784
-CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)c1ccncc1 MOL19785
-COC(=O)NN=C(C)CC(=O)Nc1cccc([N+](=O)[O-])c1 MOL19786
-CC(CC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)C[n+]1ccccc1.[Cl-] MOL19787
-CC(CC(=O)Nc1cc(C)ccc1C)=NNC(=O)c1ccncc1 MOL19788
-CC(CC(=O)Nc1cccc([N+](=O)[O-])c1)=NNC(=O)CC#N MOL19789
-CC(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)=NNC(N)=O MOL19790
-CC(CC(=O)Nc1ccccc1)=NNC(N)=S MOL19791
-CCN(CC)C(=O)CC(C)=NNC(=O)c1ccncc1 MOL19792
-CC(CC(=O)Nc1ccc(C)c(C)c1)=NNC(N)=O MOL19793
-CC(CC(=O)Nc1ccc(C)cc1)=NNC(N)=S MOL19794
-COC(=O)NN=C(C)CC(=O)Nc1ccc(Cl)cc1 MOL19795
-CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(N)=S MOL19796
-CC(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)=NNS(=O)(=O)c1ccc(C)cc1 MOL19797
-CC(CC(=O)Nc1ccc(C)c(C)c1)=NN(c1ccccc1)c1ccccc1 MOL19798
-CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=N)N MOL19799
-CNN=C(C)CC(=O)Nc1cccc(Cl)c1C MOL19800
-CC(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=NNC(N)=O MOL19801
-CC(CC(=O)Nc1cccc(C)c1C)=NNC(N)=S MOL19802
-Cc1cc(C)nc(C(=NNC(N)=O)C(=O)Nc2nc3ccc(C)cc3s2)c1 MOL19803
-CCOc1ccc2nc(NC(=O)C(=O)C(C#N)CC(C)(C)C=O)sc2c1 MOL19804
-COC(=O)CCC(=O)CC(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl MOL19805
-Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3c(OCc4ccccc4)cccc32)cc1 MOL19806
-Cn1c(=O)[nH]c2c(c1=O)Cc1ccccc1S2(=O)=O MOL19807
-CC(C)C(N=C1CC2CCC1(C(=O)Nc1ccccc1O)C2(C)C)c1ccccc1 MOL19808
-COC(=O)C(C(=NO)C(=O)Nc1ccc(Br)cc1)c1nc2ccccc2nc1O MOL19809
-COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL19810
-COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl MOL19811
-CCc1cccc(C(C)C)c1NC(=O)C(=O)C(Cc1nc2ccccc2nc1O)C(=O)OC MOL19812
-COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1C MOL19813
-COC(=O)C(CC1=C(O)Nc2ccccc2N1)C(=NNC(N)=O)C(=O)Nc1ccccc1C MOL19814
-COC(=O)C(=NNC(N)=O)C(C(=O)OC)C(=O)C(=O)Nc1ccc(Cl)cc1 MOL19815
-COC(=O)C(CCS(=O)(=O)CC(=O)C(=O)Nc1cccc(C(C)=O)c1)C(=O)OC MOL19816
-COC(=O)C(=NO)C(C(=O)OC)C(=O)C(=O)Nc1c(Cl)cc(C)cc1S(=O)(=O)O MOL19817
-O=C1CS(=O)c2ccccc2N1 MOL19818
-Cc1cc2nc(O)c(CCC(=O)O)nc2cc1C MOL19819
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1cc(=O)oc2cc(O)ccc12 MOL19820
-COC(=O)CCC(=O)CC(=O)C1=Nc2cc(Cl)c(S(N)(=O)=O)nc2S(=O)(O)=N1 MOL19821
-COC(=O)C(Cc1nc2ccccc2nc1C)C(=NNC(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1 MOL19822
-COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)O MOL19823
-COC(=O)C(=NNC(N)=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL19824
-COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=NO)C(=O)Nc1cccc(Cl)c1C MOL19825
-COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)C(=O)Nc1cc(C)ccc1C MOL19826
-COC(=O)C(C(=O)c1ccccc1)C(C(=O)C(=O)Nc1ccc(OC)cc1OC)C(=O)C(=O)c1ccc(C)cc1 MOL19827
-COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccc(C)cc1C MOL19828
-COC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1cccc(C(C)=O)c1 MOL19829
-NC1=C(Cl)C(=O)c2ccccc2C1=O MOL19830
-COC(=O)C(=NO)C(C(=O)C=C(C)C)C(=O)C(=O)Nc1ccccc1C MOL19831
-COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=NNC(N)=O)C(=O)Nc1ccc(Cl)cc1 MOL19832
-O=C(C=CC1C(=O)NC(=O)NC1=O)CC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL19833
-COC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)C(=O)Nc1ccccc1[N+](=O)[O-] MOL19834
-O=C(Nc1ccccc1[N+](=O)[O-])C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19835
-O=C(Nc1ccccc1C(=O)O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19836
-N=c1nc(NC(=O)C(=O)Nc2ccccc2C(N)=O)[nH][nH]1 MOL19837
-CC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19838
-Cc1cccc(C)c1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19839
-COC(=O)C(C(=O)C(=O)Nc1nc(=S)[nH][nH]1)c1csc(=N)[nH]1 MOL19840
-COC(=O)C(C(=O)C(=O)Nc1cccc(C)c1)c1[nH]c(=N)s[s+]1 MOL19841
-N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19842
-COc1ccc2[nH]c(NC(=O)C(=O)C(C(=O)c3ccccc3-c3ccccc3)C3OC(=O)c4ccccc43)[s+]c2c1 MOL19843
-O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19844
-O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19845
-Cc1c(Cl)cccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19846
-CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19847
-Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)c1ccccc1-c1ccccc1)C1OC(=O)c2ccccc21 MOL19848
-COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL19849
-CC(C)(C)NN=C(C(=O)Nc1nc(=S)[nH][nH]1)C1C(=O)Nc2ccccc2S1=O MOL19850
-CCOP(=O)(CC(=NNC(C)(C)C)C(=O)Nc1nc2ccc(C)cc2s1)OCC MOL19851
-COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19852
-NC(=O)NN=C(C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL19853
-CCc1cccc(C(C)C)c1NC(=O)C(=NNC(N)=O)C(C(=O)OC)c1cnc2ccccc2n1 MOL19854
-Cc1ccnc(NS(=O)(=O)c2ccc(NC3=CC(=O)C(=O)c4ccccc43)cc2)n1 MOL19855
-Cc1cccc(NC(=O)C(=O)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])c1C MOL19856
-O=C1C=C(Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2C1=O MOL19857
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19858
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=NNC(=O)c1ccncc1)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL19859
-COC(=O)C(=NNC(N)=S)C(C(=O)OC)C(=O)C(=O)Nc1ccc(C)cc1 MOL19860
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL19861
-COC(=O)C(C(=O)C(=O)Nc1ccccc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19862
-COC(=O)C(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19863
-COC(=O)C(=NNC(=S)NN)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccccc2nc1O MOL19864
-CCOP(=O)(OCC)C(C(=O)OC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 MOL19865
-COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1c(C)cccc1C MOL19866
-NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL19867
-CC(=O)c1ccc(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1 MOL19868
-Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C MOL19869
-CC(=O)c1cccc(NC(=O)C(=O)NNc2n[nH]c(=S)n2N)c1 MOL19870
-CC1(C)CC(=O)C(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)C1 MOL19871
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccccc2nc1O MOL19872
-CC1(C)CC(=O)C(C(=NNC(=S)NN)C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)C(=O)C1 MOL19873
-NNC(=S)NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C1C(=O)Nc2ccccc2S1=O MOL19874
-CCOc1ccc2nc(NC(=O)c3cc(=NNC(=O)C[N+](C)(C)C)c4ccc(O)cc4o3)sc2c1.[Cl-] MOL19875
-COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL19876
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL19877
-COC(=O)C(=O)C(C(=O)C1=NS(=O)(O)=c2cc(S(N)(=O)=O)c(Cl)cc2=N1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL19878
-COc1ccc(NC(=O)c2oc3cc(O)ccc3c(=O)c2C)c([N+](=O)[O-])c1 MOL19879
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL19880
-CC(=O)c1ccc(NC(=O)C(Cc2ccccn2)=NNC(=O)C[N+](C)(C)C)cc1.[Cl-] MOL19881
-C[N+](C)(C)CC(=O)NN=C(C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.[Cl-] MOL19882
-CC1=C(NC(=O)C(=NNC(=S)NN)C2C(=O)CC(C)(C)CC2=O)C(=O)c2ccccc2C1=O MOL19883
-N#CC(C(=NNC(=N)N)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 MOL19884
-Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2cc(O)ccc2c1=NNC(N)=S MOL19885
-COC(=O)C(=NNC(=O)C[N+](C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O.[Cl-] MOL19886
-C[N+](C)(C)CC(=O)NN=C(C(=O)Nc1ccc(Br)cc1)C1C(=O)NC(=O)NC1=O MOL19887
-COC(=O)C(=NNC(=O)C[N+](C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1ccc(F)cc1.[Cl-] MOL19888
-O=C(Nc1cccc(O)c1)C(=O)C1C(=O)NC(=S)NC1=O MOL19889
-O=C1NC(=O)C(C(=O)C(=O)Nc2ccc(Br)cc2)C(=O)N1 MOL19890
-CC(CC(=O)N(C(C)C)C(C)C)=NNC(=O)c1ccncc1 MOL19891
-CC(=NNc1ccccc1)c1sc(-c2nc(C)c(C(C)=NNc3ccccc3)s2)nc1C MOL19892
-CC(=NO)c1sc(-c2nc(C)c(C(C)=NO)s2)nc1C MOL19893
-Cc1nc(-c2nc(C)c(C(=O)C=Cc3ccc([N+](=O)[O-])cc3)s2)sc1C(=O)C=Cc1ccc([N+](=O)[O-])cc1 MOL19894
-COc1ccc(CNc2nc3c(NC(C)=O)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC MOL19895
-COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C)cc1OC MOL19896
-COc1cc(CNc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL19897
-COc1cc(CNc2nc3c(NC(C)=O)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL19898
-CCCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)OCCC MOL19899
-O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)O MOL19900
-Cn1c(=O)c(Cc2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 MOL19901
-Brc1ccccc1C1SCc2nc3ncccc3n21 MOL19902
-Clc1ccccc1C1SCc2nc3ncccc3n21 MOL19903
-Fc1ccccc1C1SCc2nc3ncccc3n21 MOL19904
-Fc1cccc(C2SCc3nc4ncccc4n32)c1 MOL19905
-CC12CCC(=O)N1c1ccc(Cl)cc1N2 MOL19906
-CC12CCC(=O)N1c1cc(Cl)ccc1N2 MOL19907
-O=C1CCC2(c3ccc(Cl)cc3)Nc3ccc(Cl)cc3N12 MOL19908
-O=C1CCC2(c3ccc(F)cc3)Nc3ccc(Cl)cc3N12 MOL19909
-O=C1CCC2(c3ccccc3)Nc3cc([N+](=O)[O-])ccc3N12 MOL19910
-O=C1CCC2(c3ccc(Cl)cc3)Nc3cc([N+](=O)[O-])ccc3N12 MOL19911
-O=C1CCC2(c3ccc(F)cc3)Nc3cc([N+](=O)[O-])ccc3N12 MOL19912
-C=C1C(=O)C23C(O)C1CCC2C12CCCC(C)(C)C1C(O)C3(O)OC2 MOL19913
-C=C1C(=O)C23C(O)C1CCC2C12CCCC(C)(COC(C)=O)C1C(O)C3(O)OC2 MOL19914
-CCCCCCCCCCCOc1ccc(C(=O)C(=O)c2ccc(OCCCCCCCCCCC)c(OCCCCCCCCCCC)c2)cc1OCCCCCCCCCCC MOL19915
-CCOC(=O)c1[nH]c(CN(C)Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)c1C MOL19916
-CSc1ccc(C2OC(=O)c3c2ccc2ccccc32)c(C)c1 MOL19917
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C MOL19918
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O.O=C(O)C(F)(F)F MOL19919
-Nc1ncnc2c1ncn2C1OC(CSCC(F)(F)F)C(O)C1O MOL19920
-Cl.OC(Cc1ccc(Br)cc1)CN1CCC(c2ccccc2)CC1 MOL19921
-Cl.OC(Cc1ccc(Br)cc1)CN1CCC(c2ccccc2)CC1 MOL19922
-Cl.OC(Cc1cccc2ccccc12)CN1CCC(c2ccccc2)CC1 MOL19923
-Cl.OC(Cc1ccc2ccccc2c1)CN1CCC(c2ccccc2)CC1 MOL19924
-Cl.OC(CN1CCC(c2ccccc2)CC1)c1ccc(Br)cc1 MOL19925
-Cc1cc2c(c(C(C)(C)C)c1)O[PH](=O)Oc1c(cc(C)cc1C(C)(C)C)C2 MOL19926
-CC(=NO)c1ccc2c(c1)C(=NO)c1cc(C(C)=NO)ccc1-2 MOL19927
-CN(C)CCNC(=O)c1cccc(CO)c1[N+](=O)[O-].Cl MOL19928
-CN(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1[N+](=O)[O-].Cl MOL19929
-O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1 MOL19930
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCCCn1ccnc1[N+](=O)[O-] MOL19931
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCCn1ccnc1[N+](=O)[O-] MOL19932
-CC1NC(=O)C2=C1C(=N)NC(=O)C2 MOL19933
-O=C(NCCOC(=O)CCCCCCCCC(=O)OCCNC(=O)NC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O)NC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O MOL19934
-Cn1c(=O)c(C(c2ccccc2)c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21 MOL19935
-COc1ccc(C(c2c(O)c3ccccc3n(C)c2=O)c2c(O)c3ccccc3n(C)c2=O)cc1 MOL19936
-Cn1c(=O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(C)c2=O)cc2ccccc21 MOL19937
-O=c1c(C(c2ccc(Cl)cc2)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1 MOL19938
-Cc1ccc(C(c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 MOL19939
-COc1ccc(C(c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 MOL19940
-O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1 MOL19941
-Cn1c(=O)c(C2c3ccccc3Oc3c2c(=O)n(C)c2ccccc32)c(O)c2ccccc21 MOL19942
-COc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc1nnc(-c2ccccc2)o1 MOL19943
-Cc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc1nnc(-c2ccccc2)s1 MOL19944
-O=C(CC(=O)Nc1cccc(Cl)c1)NNCC(=O)Nc1nnc(-c2ccccc2)s1 MOL19945
-O=C(CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccccc2Cl)C1=O)Nc1ccccc1Cl MOL19946
-COc1ccccc1NC(=O)CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccc(Cl)cc2)C1=O MOL19947
-O=C(CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl MOL19948
-COc1cccc(NC(=O)CC(=O)NNCC(=O)Nc2nnc(-c3ccc(N(CCC#N)S(=O)(=O)c4ccccc4)cc3)s2)c1 MOL19949
-CCOc1ccc(N=Nc2ccc3oc(=O)c(C(C)=NNC(=O)CC(=O)Nc4ccc(Cl)cc4)cc3c2)cc1 MOL19950
-CCOc1ccc(N=Nc2ccc3oc(=O)c(C(C)=NNC(=O)CC(=O)Nc4cccc(OC)c4)cc3c2)cc1 MOL19951
-COc1cccc(NC(=O)CC(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 MOL19952
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)N(NC(=O)CC(=O)Nc3ccccc3Cl)C2=O)cc1 MOL19953
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3cc([N+](=O)[O-])ccc3Cl)N(S(=O)(=O)c3ccccc3)C2=O)cc1 MOL19954
-CCOC(=O)c1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL19955
-N#CCCN(CCC#N)c1ccc(C=C(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Nc2ccccc2)cc1 MOL19956
-COC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccccc2OC)c2ccccc2o1 MOL19957
-COC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccccc2Cl)c2ccccc2o1 MOL19958
-COc1cccc(NC(=O)NC(=Cc2ccc(N(CCC#N)CCC#N)cc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 MOL19959
-N#CCCN(CCC#N)c1ccc(C=C(NC(=O)Nc2ccccc2Cl)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL19960
-COc1ccc(NC(=O)C(=Cc2ccc(N(CCC#N)CCC#N)cc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL19961
-N#CCCN(c1ccc(C=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1)S(=O)(=O)c1ccccc1 MOL19962
-O=[N+]([O-])c1ccccc1Oc1ccccc1 MOL19963
-[N-]=[N+]=Nc1ccccc1Oc1ccccc1 MOL19964
-O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1 MOL19965
-O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1ccccc1 MOL19966
-O=C(O)C(=Cc1ccccc1[N+](=O)[O-])c1cccs1 MOL19967
-O=[N+]([O-])c1ccccc1SCc1ccccc1 MOL19968
-O=[N+]([O-])c1ccccc1S(=O)(=O)Cc1ccccc1 MOL19969
-O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 MOL19970
-O=S(=O)(c1ccccc1)c1nccs1 MOL19971
-O=[N+]([O-])c1cccc([N+](=O)[O-])c1S(=O)(=O)c1ccccc1 MOL19972
-Br.CCN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1 MOL19973
-Br.CCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1 MOL19974
-Br.CCN1CCC(O)(c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C1 MOL19975
-CC[N+]1(C)CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1.[Br-] MOL19976
-CC[N+]1(C)CCC(O)(c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C1.[Br-] MOL19977
-Cl.O=C1CCNCC1=Cc1ccccc1 MOL19978
-CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1 MOL19979
-CC(=O)NC1COC(COC(=O)CCCCCCCCCCNC(=O)c2ccc([N+](=O)[O-])c3c(=O)c4ccccc4[nH]c23)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)C(C)C MOL19980
-CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(N)=O MOL19981
-CC(=O)n1cc(CC(C)O)c(=O)[nH]c1=O MOL19982
-CC(=O)OC1(C)CC(OC(=O)C=C(C)C)C2C(OC(=O)C2(C)OC(C)=O)C2C(C)=CC(O)C21 MOL19983
-COc1ccn(C)c(=O)c1C#N MOL19984
-CC(=NNC(=O)C[n+]1ccccc1)c1sc(-c2nc(C)c(C(C)=NNC(=O)C[n+]3ccccc3)s2)nc1C.[Cl-] MOL19985
-CC(CC(=O)Nc1ccc(NC(=O)C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1)=NNS(=O)(=O)c1ccc(C)cc1 MOL19986
-CC(=NNC(C)(C)C)c1sc(-c2nc(C)c(C(C)=NNC(C)(C)C)s2)nc1C MOL19987
-CC(C)(C)NNC(=O)C(=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1)NC(=O)c1ccccc1 MOL19988
-CC(=NNC(N)=O)c1sc(-c2nc(C)c(C(C)=NNC(N)=O)s2)nc1C MOL19989
-CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)C[n+]1ccccc1.[Cl-] MOL19990
-CC(=NNC(=N)N)c1sc(-c2nc(C)c(C(C)=NNC(=N)N)s2)nc1C MOL19991
-CCCCOC(=O)C(CC(=O)C=C(C)C)=NNS(=O)(=O)c1ccc(C)cc1 MOL19992
-CC(CC(=O)Nc1ccc(NC(=O)CC(C)N=NC(N)=S)cc1)N=NC(N)=S MOL19993
-CC(CC(=O)Nc1ccc(Cl)c(Cl)c1)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL19994
-O=C(Cc1csc(-c2nc(CC(=O)NNc3ccccc3)cs2)n1)NNc1ccccc1 MOL19995
-CC(CC(=O)Nc1ccc(NC(=O)CC(C)=NNC(N)=O)cc1)=NNC(N)=O MOL19996
-COC(=O)NN=C(C)c1sc(-c2nc(C)c(C(C)=NNC(=O)OC)s2)nc1C MOL19997
-O=C(C[n+]1ccccc1)NNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1.[Cl-] MOL19998
-CC(CC(=O)NC1=CC=C(NC(=O)CC(C)=NNc2ccccc2)CC1)=NNc1ccccc1 MOL19999
-CC(C=CC(=O)c1sc(C(N)=S)nc1C)=Cc1ccccc1 MOL20000
-CN(C)c1ccc(C=C(C(=O)O)c2csc(-c3nc(C(=Cc4ccc(N(C)C)cc4)C(=O)O)cs3)n2)cc1 MOL20001
-CN(C)NC(=O)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccccc1 MOL20002
-CC(=O)Nc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 MOL20003
-O=C(O)C(=CC=Cc1ccccc1)c1csc(-c2nc(C(=CC=Cc3ccccc3)C(=O)O)cs2)n1 MOL20004
-COc1cccc(C=CC(=O)c2sc(C(N)=S)nc2C)c1O MOL20005
-O=C(O)C(=Cc1c(O)ccc2ccccc12)c1csc(-c2nc(C(=Cc3c(O)ccc4ccccc34)C(=O)O)cs2)n1 MOL20006
-CC(CC(=O)Nc1ccc(NC(=O)CC(C)N=NC(N)=O)cc1)N=NC(N)=O MOL20007
-Cc1nc(-c2nc(C)c(C(=O)NNC(=O)C[n+]3ccccc3)s2)sc1C(=O)NNC(=O)C[n+]1ccccc1.[Cl-] MOL20008
-COc1ccc(NC(=O)CC(C)=NNC(=N)N)c([N+](=O)[O-])c1 MOL20009
-CC(C)(C)NNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 MOL20010
-O=C(NNc1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL20011
-Cc1ccc(S(=O)(=O)NNC(=O)c2sc(-c3nc(C)c(C(=O)NNS(=O)(=O)c4ccc(C)cc4)s3)nc2C)cc1 MOL20012
-CC(=NN)c1sc(-c2nc(C)c(C(C)=NN)s2)nc1C MOL20013
-Cc1nc(-c2nc(C)c(C(=O)NN(C)C)s2)sc1C(=O)NN(C)C MOL20014
-N=C(N)NN=C(CC1OC(=O)c2ccccc21)c1ccc2ccccc2c1 MOL20015
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(C=Cc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1ccncc1 MOL20016
-NNC(=S)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1cccc([N+](=O)[O-])c1 MOL20017
-O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1cccc([N+](=O)[O-])c1 MOL20018
-O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccc(Cl)cc3Cl)c(O)nc2c1 MOL20019
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(C=Cc1ccc([N+](=O)[O-])cc1)=NNC(N)=S MOL20020
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(C=Cc1ccc([N+](=O)[O-])cc1)=NNC(=S)NN MOL20021
-O=c1c(Cl)c(Cl)cnn1-c1ccccc1 MOL20022
-COC(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(OC)c(OC)c1 MOL20023
-O=C1OC(C=Cc2ccccc2)C(=O)C1=O MOL20024
-NC(=S)NN=C(C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20025
-O=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21 MOL20026
-COc1ccc(C(O)C(=NNC(N)=S)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1OC MOL20027
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc(C=CC(=NNC(=O)c3ccncc3)c3sc(NNC(C)=O)nc3C)cc2)=NNC(=O)c2ccncc2)s1 MOL20028
-O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc2c(c1)OCO2 MOL20029
-O=C(NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl)c1ccncc1 MOL20030
-CNN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(C(O)C(=NNC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL20031
-NNC(Cc1ccccc1)=NNC(N)=S MOL20032
-NC(=S)N=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1Cl MOL20033
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1CCc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL20034
-Nc1c(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4N)cc3)cc2)cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12.[NaH] MOL20035
-O=C(O)c1cc(N=Nc2ccc(CCc3ccc(N=Nc4cc(C(=O)O)c(O)cc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)cc1O.[NaH] MOL20036
-O=C(O)c1c(O)ccc(N=Nc2ccc(CCc3ccc(N=Nc4ccc(O)c(C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[NaH] MOL20037
-O=C(O)c1c(O)ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(O)c(C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[NaH] MOL20038
-O=S(=O)(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3)cc2)c(O)c2ncccc12.[NaH] MOL20039
-O=C(O)c1ccc(N=Nc2ccc(C=Cc3ccc(N=Nc4ccc(C(=O)O)cc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c1.[NaH] MOL20040
-Nc1c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c2cccnc12.[NaH] MOL20041
-Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1N=Nc1ccc(S(=O)(=O)c2ccc(N=Nc3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1.[NaH] MOL20042
-O=C(Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)O)cc3)c(S(=O)(=O)O)cc2c1.[NaH] MOL20043
-Cc1ccc(N=Nc2ccc(O)c(=O)cc2)cc1 MOL20044
-Cc1ccc(CCNC(=S)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)cc1 MOL20045
-Cc1nn(-c2ccccc2)c(CC(Cc2c([N+](=O)[O-])c(C)nn2-c2ccccc2)c2ccccc2)c1[N+](=O)[O-] MOL20046
-Cc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)no1 MOL20047
-Cc1noc2c1N=C(c1cccs1)CC(c1c(Cl)cccc1Cl)C2 MOL20048
-CC(C)OC(=O)C1=C(O)c2ccccc2S(=O)(O)=N1 MOL20049
-CN(C)CCn1cnc2sc3ccccc3c21 MOL20050
-O=C(NCO)NCOCn1c(=O)n(CO)c(=O)n(CO)c1=O MOL20051
-O=C1CSc2cc([N+](=O)[O-])ccc2N1 MOL20052
-COc1cc(OC)c2ssc3c(OC)cc(OC)c4ssc1c2-c43 MOL20053
-CC(=O)C1CC(C)=CCC12C(=O)Nc1ccccc12 MOL20054
-CCOC(=O)C1(C(=O)OCC)CC=C(C)CC12C(=O)Nc1ccccc12 MOL20055
-CS(=O)(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)[n+](-c3cc(-c4ccc(S(C)(=O)=O)cc4)c([O-])c(-c4ccc(S(C)(=O)=O)cc4)c3)c(-c3ccc(S(C)(=O)=O)cc3)c2)cc1 MOL20056
-CS(=O)(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)[n+](-c3cc(-c4ccccc4)c([O-])c(-c4ccccc4)c3)c(-c3ccc(S(C)(=O)=O)cc3)c2)cc1 MOL20057
-CCOC(=O)C12C3C=CC(C3)C1C(=O)C1OC12 MOL20058
-O=P1(Oc2ccccc2)C(c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 MOL20059
-Cc1ccc2c(c1)P1c3cc(C)ccc3SP1S2 MOL20060
-Cc1ccc2c(c1)C1(C)c3cc(C)ccc3SP1S2 MOL20061
-S=P1(Oc2ccccc2)NNP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)NN1 MOL20062
-O=P1(Oc2ccccc2)NNP2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)NN1 MOL20063
-S=P1(Oc2ccccc2)NNP2(=NP(N3CC3)(N3CC3)=NP(N3CC3)(N3CC3)=N2)NN1 MOL20064
-COc1cc(C2c3cc(O)c(OC)cc3CC3C(=O)OCC32)ccc1O MOL20065
-COc1cc(C2c3cc(O)c(OC)cc3CC3C(=O)OCC32)ccc1O MOL20066
-O=C1CCC(O)=C1O MOL20067
-O=C1N2Cc3c4ccc5c3CN3C(=O)N6Cc7c(ccc(c7CN1C6(c1ccccc1)C23c1ccccc1)OCCOCCNCCOCCO4)OCCOCCNCCOCCO5 MOL20068
-O=C1N2Cc3c4ccc5c3CN3C(=O)N6Cc7c(ccc(c7CN1C6(c1ccccc1)C23c1ccccc1)OCCOCCOc1cc(Br)c(Br)cc1OCCOCCO4)OCCOCCOc1cc(Br)c(Br)cc1OCCOCCO5 MOL20069
-COC(=O)c1c(-c2ccccc2)cc2c3cc(-c4ccccc4)c(C(=O)OC)n3c3ccccc3n12 MOL20070
-C1CN2N3CCCC23C1 MOL20071
-CC(C)=CCCC(C)=CCCC(C)C=CC(=O)NCC1CC[N+]2(C)CCCCC12.O=P([O-])(O)O MOL20072
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OS(=O)(=O)C(F)(F)F MOL20073
-Cc1ccc2c(CC(=O)O)cc(=O)oc2c1 MOL20074
-Cc1ccc2oc(=O)cc(CC(=O)O)c2c1 MOL20075
-O=C(O)Cc1cc(=O)oc2cc(O)c(Cl)cc12 MOL20076
-O=C(O)Cc1cc(=O)oc2cc(O)ccc12 MOL20077
-COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)N(CCCl)N=O MOL20078
-COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(=O)N(CCCl)N=O MOL20079
-COC1OC(CO)C(O)C(OC(C)=O)C1NC(=O)N(CCCl)N=O MOL20080
-CCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O MOL20081
-CCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O MOL20082
-CCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O MOL20083
-CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O MOL20084
-CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C2NP(=O)(N(CCCl)CCCl)OC1C2O MOL20085
-CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC)C1NC(=O)N(CCCl)N=O MOL20086
-COC1OC2COC(C)(C)OC2C(OC(C)=O)C1NC(=O)N(CCCl)N=O MOL20087
-Cn1c(=O)ccc2cc(C(=O)c3ccccc3)ccc21 MOL20088
-CC(=O)c1ccc2c(ccc(=O)n2C)c1 MOL20089
-CCCC(=O)c1ccc2c(ccc(=O)n2C)c1 MOL20090
-Cl.O=C(O)CCNCCCNCCC(=O)O MOL20091
-Cl.O=C(O)CCNCCCCNCCC(=O)O MOL20092
-Cl.O=C(O)CCN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O MOL20093
-Cl.O=C(O)CCN(CCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O MOL20094
-Cl.O=C(O)CCN(CCCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O MOL20095
-O=[As](O)(O)CC(O)CO MOL20096
-CCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCC MOL20097
-CCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCC MOL20098
-CCCCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC MOL20099
-CCOC(=O)C1Nc2ccc(Cl)cc2C2OCCC12 MOL20100
-CCOC(=O)C1Nc2ccc([N+](=O)[O-])cc2C2OCCC12 MOL20101
-CCOC(=O)C1Nc2ccccc2C2OCCC12 MOL20102
-CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2c2c1CCO2 MOL20103
-CCOC(=O)c1nc2ccc(Cl)cc2c2c1CCO2 MOL20104
-CCOC(=O)C1Nc2c(cccc2[N+](=O)[O-])C2OCCC12 MOL20105
-CCOC(=O)C1Nc2ccc(C)cc2C2c3ccccc3CC12 MOL20106
-CCOC(=O)C1Nc2ccc(O)cc2C2c3ccccc3CC12 MOL20107
-CCOC(=O)C1Nc2ccccc2C2c3ccccc3CC12 MOL20108
-CCOC(=O)C1Nc2ccc(OC)cc2C2c3ccccc3CC12 MOL20109
-CCOC(=O)C1Nc2ccc([N+](=O)[O-])cc2C2c3ccccc3CC12 MOL20110
-O=C(c1ccccc1)C1Nc2ccc(Cl)cc2C2c3ccccc3CC12 MOL20111
-CCOC(=O)C1Nc2c(cccc2[N+](=O)[O-])C2c3ccccc3CC12 MOL20112
-CCOC(=O)c1nc2ccc(OC)cc2c2c1Cc1ccccc1-2 MOL20113
-CCOC(=O)c1nc2ccc(Cl)cc2c2c1Cc1ccccc1-2 MOL20114
-O=C(c1ccccc1)c1nc2ccc(Cl)cc2c2c1Cc1ccccc1-2 MOL20115
-Cc1cc2cc(Cl)ccc2nc1C(=O)c1ccccc1 MOL20116
-O=C(c1ccccc1)c1nc2ccc(Cl)cc2cc1C(Br)Br MOL20117
-O=C(c1ccccc1)c1nc2c(Cl)ccc(Cl)c2cc1C(Br)Br MOL20118
-COc1cccc2cc(C)c(C(=O)c3ccccc3)nc12 MOL20119
-O=C(c1ccccc1)c1ccc2cccc(O)c2n1 MOL20120
-COc1cccc2ccc(C(=O)c3ccccc3)nc12 MOL20121
-Cc1cc2cccc(Cl)c2nc1C(=O)c1ccccc1 MOL20122
-COc1ccc2nc(C(=O)c3ccccc3)c(C)cc2c1 MOL20123
-Cc1cc2c(Br)cc(Br)c(O)c2nc1C(=O)c1ccccc1 MOL20124
-CC(=O)Oc1c(Br)ccc2cc(C(Br)Br)c(C(=O)c3ccccc3)nc12 MOL20125
-O=C(c1ccccc1)C1Nc2cnccc2C2c3ccccc3CC12 MOL20126
-O=C(c1ccccc1)C1Nc2ccc(Cl)cc2C2CCCC12 MOL20127
-CCOC(=O)C1Nc2ccc(Cl)cc2C2CCCC12 MOL20128
-CCOC(=O)C1Nc2ccc(Cl)cc2C2c3ccccc3OC12 MOL20129
-O=C(c1ccccc1)C1Nc2ccc(Cl)cc2C2OCCCC12 MOL20130
-O=C(c1ccccc1)c1nc2ccc(Cl)cc2c2c1CCCO2 MOL20131
-COC1(c2ccccc2)OC2OCCC2C1c1ccc(Cl)cc1 MOL20132
-O=C(c1ccccc1)C1CC(Sc2ccccc2)c2cc(Cl)ccc2N1 MOL20133
-O=C1c2ccccc2C(=O)c2nc3c(O)cccc3cc21 MOL20134
-O=C(c1ccccc1)C1Nc2ccc(Cl)cc2C2c3ccccc3OC12 MOL20135
-O=C(c1ccccc1)c1ccc2cccc(OC3OC(CO)C(O)C(O)C3O)c2n1 MOL20136
-O=C1c2ccccc2C(=O)c2nc3ccc(Cl)cc3cc21 MOL20137
-O=C1c2ccccc2C(=O)c2c(C=CN3CCCCC3)ccnc21 MOL20138
-CNC(=S)NC1CCCCC1NC(=S)NC MOL20139
-CC(=O)OCC1OC(OC2C(CSC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)OC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL20140
-CC1=C(CC2C(=O)N(c3ccccc3)S(=O)(=O)NC2C)C(=O)N(c2ccccc2)S(=O)(=O)N1C MOL20141
-Cl[Si]1(Cl)Oc2ccccc2O[Si](Cl)(Cl)Oc2ccccc2O1 MOL20142
-O=S(=O)(CC1=NC2C=CC=CC2N=C1)NCc1ccccc1 MOL20143
-c1c[nH]c(Cc2ncc(Cc3cnc[nH]3)[nH]2)n1 MOL20144
-O=C(Cc1nc(O)c2c3c(sc2n1)CCCC3)Nc1ccccc1 MOL20145
-CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC4CC(OC4(CO)C1O)C23 MOL20146
-CC12[Se]c3ccccc3C1(C)[Se]c1ccccc12 MOL20147
-CCCCCCCC(=O)OCC1OC(OC)C(NC(=O)N(CCCl)N=O)C(O)C1O MOL20148
-O=C(O)C1Cc2c([nH]c3ccccc23)C(C2CCNC2=S)N1 MOL20149
-Cc1cc(=O)oc2cc(OC(=Cc3ccccc3)c3nc4ccccc4c(=O)o3)ccc12 MOL20150
-Cc1cc(=O)oc2cc(OCc3nc4ccccc4c(=O)o3)ccc12 MOL20151
-O=c1cc(C=Cc2ccccc2)c2ccc(OC(=Cc3ccccc3)c3nc4ccccc4c(=O)o3)cc2o1 MOL20152
-Cc1cc(=O)oc2cc(OCc3nc(O)c4ccccc4n3)ccc12 MOL20153
-Cc1cc(=O)oc2cc(OCc3nc4ccccc4c(=O)n3-c3ccccc3)ccc12 MOL20154
-CC(=O)n1c(COc2ccc3c(C)cc(=O)oc3c2)nc2ccccc2c1=O MOL20155
-Cc1cc(=O)oc2cc(OC(=Cc3ccc(O)cc3)c3nc4ccccc4c(=O)o3)ccc12 MOL20156
-COC(=O)c1ccc(C=C2N=C(C)OC2=O)cc1 MOL20157
-O=C(O)C12CCCCC1CCCC2 MOL20158
-CCOC(=O)C(=Cc1ccccc1Br)P(=O)(OCC)OCC MOL20159
-CCOC(=O)C(C(O)c1ccc([N+](=O)[O-])cc1)P(=O)(OCC)OCC MOL20160
-COC(=O)c1ccc(C=C(C#N)C#N)cc1 MOL20161
-CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)C(=O)OCC MOL20162
-COc1ccc(OC)c(C=C(C#N)c2ccccc2)c1 MOL20163
-COc1ccc(OC)c(C=CC(=O)C(C)(C)C)c1 MOL20164
-COc1ccc(OC)c(C=C2CCc3ccccc3C2=O)c1 MOL20165
-CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC MOL20166
-CCOC(=O)C(=Cc1ccc(Oc2ccccc2)cc1)C(=O)OCC MOL20167
-N#CC(C#N)=Cc1ccc(Oc2ccccc2)cc1 MOL20168
-CC(C)(C)C(=O)C=Cc1ccc(Oc2ccccc2)cc1 MOL20169
-CC(C)(C)C(=O)C=Cc1cccc(Oc2ccccc2)c1 MOL20170
-N#CC(C#N)=Cc1cccc(Oc2ccccc2)c1 MOL20171
-N#CC(=Cc1cccc(Oc2ccccc2)c1)c1ccccc1 MOL20172
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(OC(C)=O)cc1 MOL20173
-CCOP(=O)(OCC)C(C#N)=Cc1ccco1 MOL20174
-CCOC(=O)C(=Cc1ccco1)P(=O)(OCC)OCC MOL20175
-N#CC(=Cc1ccco1)C(=O)c1ccccc1 MOL20176
-CC1(C)C(=O)C(=Cc2ccco2)C1=O MOL20177
-CCOC(=O)C(=Cc1ccccn1)C(=O)c1ccccc1 MOL20178
-CCOC(=O)C=Cc1ccccn1 MOL20179
-CCOC(=O)C(=Cc1ccco1)C(=O)c1ccccc1 MOL20180
-CCOC(=O)C(C#N)=Cc1ccco1 MOL20181
-CCOC(=O)C(=Cc1ccco1)C(=O)OCC MOL20182
-CCOC(=O)C(=Cc1ccco1)C(C)=O MOL20183
-CC(=O)C=Cc1ccco1 MOL20184
-Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 MOL20185
-Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 MOL20186
-Cc1ccc(C2=C(c3ccccc3)C(Br)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 MOL20187
-Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1 MOL20188
-Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 MOL20189
-Clc1ccc2c(c1)[nH]c1c2nc2ccccn21 MOL20190
-Cl.Clc1ccc2c(c1)[nH]c1c2nc2ccccn21 MOL20191
-O=C(NCCCOC(=O)CCCCCCCCC(=O)OCCCNC(=O)NC(=O)c1cnc(O)nc1O)NC(=O)c1cnc(O)nc1O MOL20192
-CCOC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(C)CC MOL20193
-O=C(C(=Cc1ccc(O)cc1)c1ccccc1)c1ccccc1 MOL20194
-O=C(C(=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 MOL20195
-O=C(C(=Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1 MOL20196
-N#Cc1ccc(C=C(C(=O)c2ccccc2)c2ccccc2)cc1 MOL20197
-O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccccc1 MOL20198
-CCOC(=O)C(=C=Cc1cccs1)C(=O)c1ccccc1 MOL20199
-CC(=O)CC(=O)C=Cc1cccs1 MOL20200
-CCOC(=O)C(=Cc1ccc[nH]1)P(=O)(OCC)OCC MOL20201
-CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])o1 MOL20202
-N#CC(=Cc1ccc([N+](=O)[O-])o1)c1ccccc1 MOL20203
-CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])o1 MOL20204
-CCOC(=O)C(=Cc1ccncc1)C(=O)c1ccccc1 MOL20205
-O=C(C=Cc1ccncc1)c1ccccc1 MOL20206
-N#CC(=Cc1cccnc1)C(=O)c1ccccc1 MOL20207
-O=C(C=Cc1cccnc1)c1ccccc1 MOL20208
-CC(=O)C(=Cc1ccc(O)cc1)C(C)=O MOL20209
-O=C1c2ccccc2C(=O)C1C(c1ccc(F)cc1)C1C(=O)c2ccccc2C1=O MOL20210
-O=C1c2ccccc2C(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)c2ccccc2C1=O MOL20211
-CCOC(=O)C(=Cc1cccs1)P(=O)(OCC)OCC MOL20212
-N#CC(=Cc1ccc[nH]1)C(=O)c1ccccc1 MOL20213
-CCOC(=O)C(=Cc1ccc[nH]1)C(=O)c1ccccc1 MOL20214
-CCOP(=O)(OCC)C(C#N)=Cc1ccc[nH]1 MOL20215
-O=C(C=Cc1ccc[nH]1)c1ccccc1 MOL20216
-N#CC(=Cc1ccc[nH]1)P(=O)(O)O MOL20217
-CC1(C)OC(=O)C(c2cccs2)C(=O)O1 MOL20218
-CC1(C)OC(=O)C(c2ccsc2)C(=O)O1 MOL20219
-N#CC(=Cc1ccsc1)C(=O)c1ccccc1 MOL20220
-CCOC(=O)C(c1ccsc1)P(=O)(OCC)OCC MOL20221
-CCOP(=O)(OCC)C(C#N)=Cc1ccsc1 MOL20222
-CN(C)c1ccc(C=C(C#N)C(=O)c2ccccc2)cc1Br MOL20223
-CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1Br MOL20224
-CN(C)c1ccc(C=C2CCc3ccccc3C2=O)cc1Br MOL20225
-CN(C)c1ccc(C=C2Cc3ccccc3C2=O)cc1Br MOL20226
-CN(C)c1ccc(C=CC(=O)c2ccccc2)cc1Br MOL20227
-CN(C)c1ccc(C=CC(=O)C(C)(C)C)cc1Br MOL20228
-CC1(C)OC(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)O1 MOL20229
-N#CC(=Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1 MOL20230
-O=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N1 MOL20231
-CCOP(=O)(OCC)C(C#N)=Cc1ccc2c(c1)OCO2 MOL20232
-CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)C(=O)c1ccccc1 MOL20233
-COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OC MOL20234
-COc1ccc(C=CC(=O)c2ccccc2)cc1OC MOL20235
-COc1ccc(C=CC(=O)C(C)(C)C)cc1OC MOL20236
-COc1ccc(C=C2Cc3ccccc3C2=O)cc1OC MOL20237
-COc1ccc(C=C2CCc3ccccc3C2=O)cc1OC MOL20238
-COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OC MOL20239
-COc1cc(C=C2Cc3ccccc3C2=O)cc(OC)c1OC MOL20240
-COc1cc(C=C2CCc3ccccc3C2=O)cc(OC)c1OC MOL20241
-COc1cc(C=CC(=O)C(C)(C)C)cc(OC)c1OC MOL20242
-COc1cc(C=CC(=O)c2ccccc2)cc(OC)c1OC MOL20243
-COc1cc(C=C(C#N)C(=O)c2ccccc2)cc(OC)c1OC MOL20244
-COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC MOL20245
-COc1cc(C=C(C#N)C(=O)c2ccccc2)ccc1O MOL20246
-CCOC(=O)C(=Cc1ccc(O)c(OC)c1)C(=O)c1ccccc1 MOL20247
-COc1cc(C=C(C#N)c2ccccc2)cc(OC)c1 MOL20248
-N#CC(=Cc1ccc2ccccc2c1)C(=O)c1ccccc1 MOL20249
-N#CC(=Cc1cccc2ccccc12)C(=O)c1ccccc1 MOL20250
-CCOP(=O)(OCC)C(C#N)=Cc1cccc2ccccc12 MOL20251
-CCOC(=O)C(=Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)c1ccccc1 MOL20252
-COc1cc(C=C(C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1 MOL20253
-O=P(Nc1ccccc1)(Oc1ccccc1)N(CCCl)CCCl MOL20254
-O=P(Nc1ccc(Cl)cc1)(Oc1ccccc1)N(CCCl)CCCl MOL20255
-O=P(Nc1cccc(Cl)c1)(Oc1ccccc1)N(CCCl)CCCl MOL20256
-Cc1ccc(NP(=O)(Oc2ccccc2)N(CCCl)CCCl)cc1 MOL20257
-C=CN1C(=O)C(Oc2ccccc2)C1c1ccccc1 MOL20258
-O=C1CCC(O)Cc2ccc(O)c(c2)-c2cc(ccc2O)CC1O MOL20259
-COc1cc(C(Cc2ccccc2)NC(C)=O)oc(=O)c1 MOL20260
-O=C1CCC2(CC1)SCCCS2 MOL20261
-CN(C)c1ccc(C=CC(=O)O)cc1.[NaH] MOL20262
-CN(C)c1ccc(C=CC2=[O+][Cu-3]3([O+]=C(C=Cc4ccc(N(C)C)cc4)[OH+]3)[OH+]2)cc1 MOL20263
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3(O)CCC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O MOL20264
-Cc1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2c1[N+](=O)[O-] MOL20265
-Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CC(CC[N+](=O)[O-])[N+](=O)[O-] MOL20266
-Cn1cc(C2(C)CC(C)(C)c3c2n(C)c2ccccc32)c2ccccc21 MOL20267
-CC1CC2C(=O)NC(=O)C2c2c1c1ccccc1n2C MOL20268
-COc1cccc(N2C(=O)C3CC(C)c4c([nH]c5ccccc45)C3C2=O)c1 MOL20269
-COc1ccc(N2C(=O)C3CC(C)c4c([nH]c5ccccc45)C3C2=O)cc1 MOL20270
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL20271
-COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1 MOL20272
-COC(=O)C1c2[nH]c3ccccc3c2CC2c3ccccc3NC(=O)C21 MOL20273
-C=CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 MOL20274
-O=C(C#Cc1ccccc1)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 MOL20275
-CC#CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 MOL20276
-CC1(C)c2ccccc2N2OC3C(=O)N(c4ccccc4)C(=O)C3C21c1ccccc1 MOL20277
-O=C1C(c2ccc(Cl)cc2)C2CC=CC2N1O MOL20278
-O=C(O)c1ccc(C2C(=O)N(O)C3C=CCC23)cc1 MOL20279
-O=C1NC2CCCC2C1c1ccc(Cl)cc1 MOL20280
-Nc1ccc(C2C(=O)NC3CCCC32)cc1 MOL20281
-O=C(O)c1ccc(C2C3C=CC(C3)C2[N+](=O)[O-])cc1 MOL20282
-O=C1NC2(CCCCC2)NC12CCCCC2 MOL20283
-O=C1NC2(CCCCC2)C(OCCO)C12CCCCC2 MOL20284
-CON1C(=O)C2(CCCCC2)C(=O)C12C=CC(C)CC2 MOL20285
-CN1CC2(CCCCC2)C(O)C12C=CCCC2 MOL20286
-N#CC1CCCCC1NC1(C#N)CCCCC1 MOL20287
-O=C1OC(=O)c2c1c(-c1ccccc1)nc1ccccc21 MOL20288
-Cn1c(=O)c(NC(=O)C(Cl)(Cl)Cl)nc2ccccc21 MOL20289
-COC(=O)c1cc2c(=O)n(C)c3ccccc3n2c1C(=O)OC MOL20290
-Cn1c(=O)c2c3ccccc3c(C(=O)c3ccccc3)n2c2ccccc21 MOL20291
-O=C(Nc1ccccc1-c1nc2ccccc2nc1O)c1ccccc1 MOL20292
-[O-][n+]1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc21 MOL20293
-C=Cc1cncc(C#N)c1CCc1c(C#N)cncc1C=C MOL20294
-CC1SC2(CC3CCC2(C)C3(C)C)OC1=O MOL20295
-COC(=O)C1C2C=CC(C2)C1(C(=O)OC)S(=O)CC12CCC(CC1O)C2(C)C MOL20296
-N#CNC(=N)NCO MOL20297
-CCOCNC(=N)NC#N MOL20298
-COCNC(=NC#N)NCOC MOL20299
-CCCCOCNC(=N)NC#N MOL20300
-CC(C)OCNC(=N)NC#N MOL20301
-COCN1COCN=C1NC#N MOL20302
-CCCOCN1COCN=C1NC#N MOL20303
-N#CNC(=N)NCNC(=N)NC#N MOL20304
-COCNC(=N)NC#N MOL20305
-CCOCN1COCN=C1NC#N MOL20306
-CC(C)OCN1COCN=C1NC#N MOL20307
-N#CNC1=NCOCN1 MOL20308
-CN(C)C(=N)NC#N MOL20309
-CCCNC(=N)NC#N MOL20310
-CCCCNC(=NC#N)NCCCC MOL20311
-N#CN=C(NCc1ccccc1)NCc1ccccc1 MOL20312
-N#CNC(=N)NCCO MOL20313
-CN1COCN=C1NC#N MOL20314
-CC(C)NC(=N)NC#N MOL20315
-N#CN=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL20316
-N#CN=C(NCCO)NCCO MOL20317
-COCN1COCN(COC)C1=O MOL20318
-CNC(=O)N(C)COC MOL20319
-CNC(=O)N(C)CN(C)C(=O)NC MOL20320
-CCNC(=O)N(CC)CN(CC)C(=O)NCC MOL20321
-CCOCNC(=O)N(COCC)COCC MOL20322
-NC(=O)NCNC(N)=O MOL20323
-CN1CN(C(=O)N2CN(C)C(=O)N(C)C2)CN(C)C1=O MOL20324
-CNC(=O)NCNC(=O)NC MOL20325
-CNS(=O)(=O)NN(C)S(=O)(=O)c1ccccc1 MOL20326
-CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc2ccccc2c1 MOL20327
-CNS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1 MOL20328
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(Br)cc1 MOL20329
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccccc1 MOL20330
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc2ccccc2c1 MOL20331
-COc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1 MOL20332
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(C)(=O)=O MOL20333
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL20334
-CC(=O)Nc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1 MOL20335
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(C)cc1 MOL20336
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1cccc(C(=O)O)c1 MOL20337
-CS(=O)(=O)NN=CCN1C(=O)c2ccccc2C1=O MOL20338
-COc1ccc(S(=O)(=O)NN=C(C)CN2C(=O)c3ccccc3C2=O)cc1OC MOL20339
-O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc(Br)cc1 MOL20340
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(Cl)cc1 MOL20341
-O=C1c2ccccc2C(=O)N1CC=NNS(=O)(=O)c1ccc2ccccc2c1 MOL20342
-CC(CN1C(=O)c2ccccc2C1=O)=NNS(=O)(=O)c1ccc(F)cc1 MOL20343
-COc1ccc2c(c1)C(CCN)C(=O)N2.Cl MOL20344
-COc1ccc2c(c1)C1(C=N2)CCN(C(C)=O)CC1 MOL20345
-Cl.O=C1Nc2ccccc2C12CCNC2Cc1ccccc1 MOL20346
-COc1ccc2[nH]c3c(c2c1)CCN(C)CC3.I MOL20347
-CC(=O)N1CCC2(C=Nc3ccccc32)CC1 MOL20348
-CC(=O)N1CCc2[nH]c3ccccc3c2CC1 MOL20349
-CCN(CC)C(=O)CC12CCCCC1=Nc1ccccc12 MOL20350
-CC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)O MOL20351
-CC(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 MOL20352
-CC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 MOL20353
-CC(=O)NC(CCCN)C(=O)NCc1ccccc1 MOL20354
-CCCNCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20355
-CC(=O)NC(CCCNCc1ccccc1)C(=O)NCc1ccccc1 MOL20356
-CC(=O)NC(CCCCN)C(=O)NCc1ccccc1 MOL20357
-CCCNCCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20358
-CC(=O)NC(CCCCNCc1ccccc1)C(=O)NCc1ccccc1 MOL20359
-CNC(=O)NCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20360
-CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NC MOL20361
-CNC(=O)N(CCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1 MOL20362
-CC(=O)NC(CCCNC(=O)N(C)N=O)C(=O)NCc1ccccc1 MOL20363
-CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O MOL20364
-CC(=O)NC(CCCN(Cc1ccccc1)C(=O)N(C)N=O)C(=O)NCc1ccccc1 MOL20365
-CNC(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20366
-CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NC MOL20367
-CNC(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1 MOL20368
-CC(=O)NC(CCCCNC(=O)N(C)N=O)C(=O)NCc1ccccc1 MOL20369
-CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O MOL20370
-CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)N(C)N=O)C(=O)NCc1ccccc1 MOL20371
-CC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O MOL20372
-Cl.NCCCNCCCCNCCCNCc1c2ccccc2c(CNCCCNCCCCNCCCN)c2ccccc12 MOL20373
-CCn1c(C)nn2c(=O)c3ccccc3nc2c1=O MOL20374
-C=C(C=CC=C(CO)CCC=C(C)C)C1CCC2(C(CCCO)C(=C(C)C=O)CCC2(C)O)C1O MOL20375
-Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=S)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1.[NaH] MOL20376
-NNC(=O)CC(=O)Nc1ccccc1F MOL20377
-Cc1ccc(N(C(=O)CC(=O)NN)C(=O)c2ccccc2Cl)cc1 MOL20378
-N#CCCN(CCC#N)c1ccc(C(=O)NN)cc1 MOL20379
-CC1=NN(C(=O)CC(=O)N(C(=O)c2ccccc2Cl)c2ccc(C)cc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1 MOL20380
-CC1=NN(C(=O)CC(=O)NC(=O)CC(=O)Nc2ccccc2F)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1 MOL20381
-Cc1ccc(N(C(=O)CC(=O)N2N=C(c3ccccc3)C(N=Nc3ccc([N+](=O)[O-])cc3)C2=O)C(=O)c2ccc(Cl)cc2)cc1 MOL20382
-Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)cc1 MOL20383
-O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1 MOL20384
-Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3Cl)c2-c2ccccc2)cc1 MOL20385
-O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2Cl)c1-c1ccccc1)Nc1ccc(Cl)cc1 MOL20386
-Cc1cccc(NC(=O)c2cc3cc(N=Nc4ccccc4Cl)ccc3oc2=O)c1 MOL20387
-O=C(Nc1ccc(Cl)cc1)c1cc2cc(N=Nc3ccccc3Cl)ccc2oc1=O MOL20388
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(N=[N+]=[N-])C(=O)NC(=O)COc1ccccc1 MOL20389
-N=CCCN(CCC=N)c1ccc(C=C2CN(NC(=O)c3ccc(Cl)cc3)C(c3ccccc3)=N2)cc1 MOL20390
-COc1ccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)cc1 MOL20391
-Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=Nc1cccc(C(=O)O)c1 MOL20392
-N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2cc(Cc3ccc(O)c(C(=O)O)c3)c(O)c(C(=O)O)c2)C=CC1=O MOL20393
-N.O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O MOL20394
-N.O=C(O)c1cc(Cc2cc(C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)cc(C(=O)O)c2O)ccc1O MOL20395
-N.O=C(O)c1cc(Cc2cc(C(=O)O)c(O)c(C(=O)c3ccc(O)c(C(=O)O)c3)c2)ccc1O MOL20396
-N.O=C(O)C1=CC=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C1=O MOL20397
-COC(=O)c1cc(C(=CCC23CC4CC(CC(C4)C2)C3)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL20398
-CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL20399
-CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL20400
-CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL20401
-Oc1cc2c(cc1C(c1cc3c(cc1O)OCO3)c1cc3c(cc1O)OCO3)OCO2 MOL20402
-O=c1[nH]nc2n1-c1ccccc1-n1c-2n[nH]c1=O MOL20403
-c1ccc2c(c1)-n1nnnc1-c1nnnn1-2 MOL20404
-O=c1c2ccccc2nc2n1-c1ccccc1SC2 MOL20405
-Clc1ccc(-c2nnc3c4nnc(-c5ccc(Cl)cc5Cl)n4c4ccccc4n23)c(Cl)c1 MOL20406
-Cc1nnc2n1-c1ccccc1-n1c(C)nnc1-2 MOL20407
-COc1ccc(C2=NN(C(C)=O)c3nc4ccccc4nc3O2)cc1 MOL20408
-Cc1ccc(S(=O)(=O)OCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCC(=O)O)CCC43)C2)cc1.N MOL20409
-COC(=O)CCC(C)C1CCC2C3CCC4CC(CO)CCC4(C)C3CCC12C MOL20410
-C=C1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)OC)CCC32)C1 MOL20411
-COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C MOL20412
-COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL20413
-C=C1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)O)CCC32)C1.N MOL20414
-CC(=O)SCC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCC(=O)O)CCC32)C1.N MOL20415
-COC(=O)CCC(C)C1CCC2C3CCC4CC(CSC(C)=O)CCC4(C)C3CCC12C MOL20416
-CCCCCCC(O)CCC1CCCC(C)N1 MOL20417
-CCCCCCCCCCCCCC1CCC(CC)N1 MOL20418
-C=CCCCCCCCCCCCC1CCC(CC)N1 MOL20419
-C=CCCCCC1CCC2CCC(CCCCC=C)N12 MOL20420
-C=CCCCCC1CCC2CCC(CCCC)N12 MOL20421
-CCC1CCC2CCCC(C)N12 MOL20422
-CCCCCCC1CCC2CCCC(C)N12 MOL20423
-CCCC1CC2CCCCN2C2CCCN12 MOL20424
-CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O MOL20425
-NC(Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O.O=[N+]([O-])O MOL20426
-CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1cc2ccccc2oc1=O MOL20427
-CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(C2=CC=C(Cl)CC2)C1=O)c1cc2ccccc2oc1=O MOL20428
-CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(C)c2)C1=O)c1cc2ccccc2oc1=O MOL20429
-COc1ccc(N2C(=O)C(=C(C)c3cc4ccccc4oc3=O)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL20430
-CC(=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1ccc(N(CCC#N)CCC#N)cc1C MOL20431
-O=C(O)C12C3CCC(C3)C1(C(=O)O)C1CCC2C1 MOL20432
-CCOC(=O)C1([N+](=O)[O-])C2CCCCC21 MOL20433
-CC(C)CCCC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C.[NaH] MOL20434
-CC(C)CCCC(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3CCC12C.[NaH] MOL20435
-CC(=O)OC1C(COS(=O)(=O)O)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)=O)CCC43)C2)C(OC(C)=O)C1OC(C)=O.CCN(CC)CC MOL20436
-CC(=O)C1CCC2C3CC=C4CC(OC5OC(COS(=O)(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C.CCN(CC)CC MOL20437
-CC(C)CCCC(C)C1CCC2C3CC(OS(=O)(=O)O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C.[NaH] MOL20438
-CCCCCCCCCCCCn1nc(C)c(C(=S)SCCCCCCCC)c1O MOL20439
-CCCCCCCCCCCCSC(=S)c1c(C)nn(CCCCCCCCCCCC)c1O MOL20440
-CCSC(SCC)=C1C(=O)N(c2ccccc2)N=C1C MOL20441
-CCCCCCCCSC(SCCCCCCCC)=C1C(=O)N(c2ccccc2)N=C1C MOL20442
-CC1=NN(c2ccccc2)C(=O)C1=C1SCCS1 MOL20443
-CC1=NN(c2ccccc2)C(=O)C1=C1SCCCS1 MOL20444
-CCOC(=O)C(=Cc1ccccc1)C(=O)O MOL20445
-COc1ccccc1C=C(C#N)C(=O)c1ccccc1 MOL20446
-COc1ccc(C=CC(C(=O)O)C(=O)O)cc1 MOL20447
-CC1(c2ccccc2)CC12C(=O)NC(=O)NC2=O MOL20448
-COc1cccc(C2CC23C(=O)NC(=O)NC3=O)c1 MOL20449
-CC1(C)OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1 MOL20450
-N#CC(=Cc1ccccc1Br)C(=O)c1ccccc1 MOL20451
-N#Cc1ccc(C(C2C(=O)NC(=O)NC2=O)C2C(=O)NC(=O)NC2=O)cc1 MOL20452
-COCC(OC)C(CC=C(C#N)C#N)OC MOL20453
-N#CC(=Cc1ccccc1F)C(=O)c1ccccc1 MOL20454
-CCOC(=O)C(=Cc1ccc(C(=O)OC)cc1)N(CC)CC MOL20455
-CCOC(=O)C(=Cc1ccc(N(C)C)cc1)N(CC)CC MOL20456
-CCOC(=O)C(=Cc1ccccc1)N(CC)CC MOL20457
-CCOC(=O)C(=Cc1ccc(OC)cc1)N(CC)CC MOL20458
-CCOC(=O)C(=Cc1cccc(OC)c1)N(CC)CC MOL20459
-CCOC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)N(CC)CC MOL20460
-CCOC(=O)C(=Cc1ccc(C#N)cc1)N(CC)CC MOL20461
-CCOC(=O)C(=Cc1cccc(C#N)c1)N(CC)CC MOL20462
-CCOC(=O)C(=Cc1ccc(Cl)cc1)N(CC)CC MOL20463
-CCOC(=O)C(=Cc1cccc(Cl)c1)N(CC)CC MOL20464
-CCOC(=O)C(=Cc1ccc(C(F)(F)F)cc1)N(CC)CC MOL20465
-Nc1c2c(nc3ccccc13)CCCC2.O=C1OC(C(O)CO)C(O)=C1O MOL20466
-Nc1c2c(nc3ccccc13)CCCC2.O=C(O)CCC(=O)C(=O)O MOL20467
-COC1C(=[N+]=[N-])C(=O)NC(=O)N1C1OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)C1O MOL20468
-Nc1cn(C2OC(CC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O)c(=O)[nH]c1=O MOL20469
-CCOc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL20470
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCc1ccccc1 MOL20471
-CC(C)(C)NN=Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL20472
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1N=NNCc1ccccc1 MOL20473
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O.[NaH] MOL20474
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)O.[NaH] MOL20475
-COc1cc(C=CC2=C(C#N)C(=O)OC2(C)C)ccc1O MOL20476
-C=C1CCC(Br)C(C)(C)C12CCC(C)(O)C(Cl)C2 MOL20477
-O=C(c1cc2ccccc2o1)N(Cc1ccccc1)c1ccccc1 MOL20478
-O=[N+]([O-])N1C2OC3OC2N([N+](=O)[O-])C2OC3OC21 MOL20479
-CC1(C)C(=O)N(c2ccccc2)C(=O)N1c1nc2ccccc2[nH]1 MOL20480
-NC1c2ccccc2Nc2ccccc21 MOL20481
-CNC(SC)=C1C(=O)OC(C)(C)OC1=O MOL20482
-CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)OC(=O)c1cc(OC)c(OC)c(OC)c1 MOL20483
-CC[Sn](CC)(OC(=O)c1ccc(OC)c(OC)c1OC)OC(=O)c1ccc(OC)c(OC)c1OC MOL20484
-CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)OC(=O)c1cc(OC)c(OC)cc1OC MOL20485
-CC[Sn](CC)(OC(=O)c1ccccc1F)OC(=O)c1ccccc1F MOL20486
-CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1)OC(=O)c1cccc(F)c1 MOL20487
-CC[Sn](CC)(OC(=O)c1ccc(F)cc1)OC(=O)c1ccc(F)cc1 MOL20488
-CCCC[Sn](CCCC)(OC(=O)c1c(F)cccc1F)OC(=O)c1c(F)cccc1F MOL20489
-CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)OC(=O)c1cccc(F)c1F MOL20490
-CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)OC(=O)c1cc(F)cc(F)c1 MOL20491
-CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)OC(=O)c1cc(F)ccc1F MOL20492
-CCCC[Sn](CCCC)(OC(=O)c1ccc(C)c(N)c1)OC(=O)c1ccc(C)c(N)c1 MOL20493
-CC[Sn](CC)(OC(=O)c1cc(OC)c(OC)c(OC)c1)O[Sn](CC)(CC)OC(=O)c1cc(OC)c(OC)c(OC)c1 MOL20494
-CCCC[Sn](CCCC)(OC(=O)c1ccc(OC)c(OC)c1OC)O[Sn](CCCC)(CCCC)OC(=O)c1ccc(OC)c(OC)c1OC MOL20495
-CCCC[Sn](CCCC)(OC(=O)c1cc(OC)c(OC)cc1OC)O[Sn](CCCC)(CCCC)OC(=O)c1cc(OC)c(OC)cc1OC MOL20496
-CC[Sn](CC)(OC(=O)c1ccccc1F)O[Sn](CC)(CC)OC(=O)c1ccccc1F MOL20497
-CC[Sn](CC)(OC(=O)c1cccc(F)c1)O[Sn](CC)(CC)OC(=O)c1cccc(F)c1 MOL20498
-CC[Sn](CC)(OC(=O)c1ccc(F)cc1)O[Sn](CC)(CC)OC(=O)c1ccc(F)cc1 MOL20499
-CC[Sn](CC)(OC(=O)c1c(F)cccc1F)O[Sn](CC)(CC)OC(=O)c1c(F)cccc1F MOL20500
-CCCC[Sn](CCCC)(OC(=O)c1cccc(F)c1F)O[Sn](CCCC)(CCCC)OC(=O)c1cccc(F)c1F MOL20501
-CCCC[Sn](CCCC)(OC(=O)c1cc(F)cc(F)c1)O[Sn](CCCC)(CCCC)OC(=O)c1cc(F)cc(F)c1 MOL20502
-CCCC[Sn](CCCC)(OC(=O)c1cc(F)ccc1F)O[Sn](CCCC)(CCCC)OC(=O)c1cc(F)ccc1F MOL20503
-CC[Sn](CC)(OC(=O)c1ccccc1OC)O[Sn](CC)(CC)OC(=O)c1ccccc1OC MOL20504
-CC[Sn](CC)(OC(=O)c1cccc(OC)c1)O[Sn](CC)(CC)OC(=O)c1cccc(OC)c1 MOL20505
-CCCC[Sn](CCCC)(OC(=O)Cc1ccc(F)cc1)OC(=O)Cc1ccc(F)cc1 MOL20506
-CCC[Sn](CCC)(OC(=O)Cc1ccc(F)cc1)O[Sn](CCC)(CCC)OC(=O)Cc1ccc(F)cc1 MOL20507
-CCCC[Sn](CCCC)(OC(=O)C=Cc1ccccc1F)OC(=O)C=Cc1ccccc1F MOL20508
-CCCC[Sn](CCCC)(OC(=O)c1cccnc1SC)OC(=O)c1cccnc1SC MOL20509
-CCC[Sn](CCC)(OC(=O)c1cccnc1SC)O[Sn](CCC)(CCC)OC(=O)c1cccnc1SC MOL20510
-CCCC[Sn](CCCC)(OC(=O)c1nccnc1N)OC(=O)c1nccnc1N MOL20511
-CCCC[Sn](CCCC)(SC1=NCCS1)SC1=NCCS1 MOL20512
-CCOC(=O)c1c[nH]c2c(ccc3nn(C)nc32)c1=O MOL20513
-C[Si](C)(C)C#CC(CO)=C(C#C[Si](C)(C)C)CO MOL20514
-CCSc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccccc1 MOL20515
-O=C(OCCOC(=O)c1ccc2c(c1)C1(SCCS1)c1ccccc1-2)c1ccc2c(c1)C1(SCCS1)c1ccccc1-2 MOL20516
-CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1OC MOL20517
-CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1 MOL20518
-CCOC(=O)C1(Br)C(c2ccccc2)NC(=O)NC1(C)Br MOL20519
-CCOC(=O)C1(Br)C(c2ccccc2)NC(=O)N(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C1(C)Br MOL20520
-CCOC(=O)C1=C(C)N(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(=O)NC1c1ccccc1 MOL20521
-CCOC(=O)C1=C(C)N(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(=S)NC1c1ccccc1 MOL20522
-C1=C(c2ccccc2)C(OC2Oc3ccccc3C=C2c2ccccc2)Oc2ccccc21 MOL20523
-Cc1cn(C2CCC(CO)(CO)CC2O)c(=O)[nH]c1=O MOL20524
-Nc1nc(O)c2ncn(CC3CCOC3=O)c2n1 MOL20525
-Cc1cn(C2CCC(=O)C2)c(=O)[nH]c1=O MOL20526
-Nc1ncnc2c1ncn2C1CCC(=O)C1 MOL20527
-Cc1cn(C2CCCCC2O)c(=O)[nH]c1=O MOL20528
-Nc1ncnc2c1ncn2C1CCCCC1O MOL20529
-C=C(Cn1cnc2c(N)ncnc21)C(=O)OC MOL20530
-Cc1cn(CC(CO)CCO)c(=O)[nH]c1=O MOL20531
-Cc1cn(C2C=CC(O)CC2)c(=O)[nH]c1=O MOL20532
-O=C(O)C1OCCOCCOC(C(=O)O)C(C(=O)O)OCCOCCOC1C(=O)O MOL20533
-OCC1OC(OC2CCCN3CC(O)C(O)C23)C(O)C(O)C1O MOL20534
-O=NN1CCN=C1c1ccc([N+](=O)[O-])cc1 MOL20535
-COc1ccc2oc3c(OC)c(OC)c(OC)cc3c(=O)c2c1 MOL20536
-CCN(CC)CCC1(C2CCCCC2)CCC(=O)NC1=O.Cl MOL20537
-O=C1CCCCCCCCCCC(=O)N2CCOCCOCCN1Cc1cccc(n1)C2 MOL20538
-O=C1CCCCCCCCCCC(=O)C2CCOCCOCCOCCC1Cc1cccc(n1)C2 MOL20539
-CC(C)(CN1CCCCC1)C(=O)C=Cc1ccccc1.Cl MOL20540
-Cc1ccc(C=CC(=O)C(C)(C)CN2CCCCC2)cc1.Cl MOL20541
-CC(C)(CN1CCCCC1)C(=O)CC(SCCN)c1ccc(Cl)cc1.Cl MOL20542
-CN1CC(=CC=Cc2ccccc2)C(=O)C(=CC=Cc2ccccc2)C1.Cl MOL20543
-O=C1C=CC(=O)c2c1c1c(c3c2C2c4ccccc4C3c3ccccc32)C2c3ccccc3C1c1ccccc12 MOL20544
-C[Si](C)(C)C1([Se]c2ccccc2)CCC1C(=O)c1ccccc1 MOL20545
-O=C1OCc2c1cc1ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c1c2-c1ccc2c(c1)OCO2 MOL20546
-C1COCCSC2=C(SCCO1)SC(=C1SC3=C(SCCOCCOCCS3)S1)S2 MOL20547
-OCC1OC(Oc2cc(O)cc(CCc3ccc(O)c(O)c3)c2)C(O)C(O)C1O MOL20548
-NC1CCCCC1.O=P(O)(O)C1(P(=O)(O)O)CC1 MOL20549
-C=C1C(=O)OC(c2ccoc2)CC1C1(C)CCCC2(C)C(=O)OCC21 MOL20550
-NC(N)NCCCc1cn2c(n1)C1CCCN1C(=O)C2Cc1ccccc1.O=C(O)C(F)(F)F MOL20551
-Nc1c2ccccc2nc2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cccc12 MOL20552
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(N)c4ccccc4nc23)cc1 MOL20553
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(N)c5ccccc5nc34)cc2)n1 MOL20554
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(N)c5ccccc5nc34)cc2)no1 MOL20555
-NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)cccc23)cc1 MOL20556
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)cccc23)cc1 MOL20557
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)cccc34)cc2)n1 MOL20558
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)cccc34)cc2)no1 MOL20559
-NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1 MOL20560
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3cc4ccccc4nc23)cc1 MOL20561
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)n1 MOL20562
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4cc5ccccc5nc34)cc2)no1 MOL20563
-CS(=O)(=O)OCCN1CCN(C(=O)c2cccc3c(Nc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)CC1 MOL20564
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)cccc34)cc2)no1 MOL20565
-CS(=O)(=O)OCCN1CCN(C(=O)c2cccc3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)CC1 MOL20566
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)cccc34)cc2)n1 MOL20567
-NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)ccc(Cl)c23)cc1 MOL20568
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)N4CCN(CCO)CC4)ccc(Cl)c23)cc1 MOL20569
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)ccc(Cl)c34)cc2)n1 MOL20570
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCO)CC5)ccc(Cl)c34)cc2)no1 MOL20571
-CS(=O)(=O)OCCN1CCN(C(=O)c2ccc(Cl)c3c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c4ccccc4nc23)CC1 MOL20572
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)N5CCN(CCOS(C)(=O)=O)CC5)ccc(Cl)c34)cc2)n1 MOL20573
-c1cc(C2OC3CCCN3C2c2ccncc2)ccn1 MOL20574
-O=C1OC(C(Cl)(Cl)Cl)N2CCCC12 MOL20575
-C=CCNC(=O)NCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20576
-C=CCNC(=O)N(CCC)CCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20577
-C=CCNC(=O)N(CCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1 MOL20578
-C=CCN(N=O)C(=O)NCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20579
-C=CCN(N=O)C(=O)N(CCC)CCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20580
-C=CCN(N=O)C(=O)N(CCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1 MOL20581
-C=CCNC(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20582
-C=CCNC(=O)N(CCC)CCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20583
-C=CCNC(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1 MOL20584
-C=CCN(N=O)C(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20585
-C=CCN(N=O)C(=O)N(CCC)CCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL20586
-C=CCN(N=O)C(=O)N(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)Cc1ccccc1 MOL20587
-C=C1C(=O)OC2CC(C)C3(O)C=C(C(C)=O)C4(OC3CC12)C(=O)OC1CC(C)C2(C=CC(C)=O)OC2CC14 MOL20588
-C=C1C(=O)OC2CC(C)C3(O)C=C(C(C)=O)C4(OC3CC12)C(=O)OC1CC(C)C(C=CC(C)=O)=CCC14 MOL20589
-Cc1cn(C2CC(O)C(CO)C2C)c(=O)[nH]c1=O MOL20590
-O=[N+]([O-])c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2nnnc12 MOL20591
-Cc1ccc(S(=O)(=O)n2cc(C=CC#N)c(C=CC#N)c2)cc1 MOL20592
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=S)N1CCCC1 MOL20593
-CC(=O)NC(Cc1ccccc1)C(=S)N1CCCC1 MOL20594
-CC(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=S)N1CCCC1 MOL20595
-Nc1nc(O)c2ncn(Cc3ccccc3CCO)c2n1 MOL20596
-Nc1nc[n+](Cc2ccccc2CCO)c2[nH]cnc12 MOL20597
-OCCc1ccccc1Cn1cnc2c(O)ncnc21 MOL20598
-Cc1cn(Cc2ccccc2CCO)c(=O)[nH]c1=O MOL20599
-Cc1cn(Cc2ccccc2CCO)c(=S)[nH]c1=O MOL20600
-COC1=CC(=O)OC2(C)OCC(C)C(O)=C12 MOL20601
-CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(O)CCl)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O MOL20602
-COC(=O)C(Cc1ccccc1)NC(=O)Cn1ccnc1[N+](=O)[O-] MOL20603
-O=C(Cn1ccnc1[N+](=O)[O-])c1ccc(F)cc1 MOL20604
-O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccc(F)cc1 MOL20605
-O=[N+]([O-])c1nccn1CC(O)c1ccc(F)cc1 MOL20606
-O=[N+]([O-])c1nccn1CC(O)c1ccccc1 MOL20607
-CN(C)CCNC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21.Cl MOL20608
-CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1Oc1ccccc1O2 MOL20609
-CN(C)CCNC(=O)c1cccc2c1Oc1cccc([N+](=O)[O-])c1O2.Cl MOL20610
-CN(C)CCNC(=O)c1cccc2c1Oc1c(cccc1[N+](=O)[O-])O2.Cl MOL20611
-Nc1nc(NC2C3CC4CC(C3)CC2C4)nc(-c2n[nH]c(=S)o2)n1 MOL20612
-CC(=O)[n+]1nc(-c2nc(N)nc(NC3C4CC5CC(C4)CC3C5)n2)oc1-c1ccc(Cl)cc1 MOL20613
-CC(=NC1C2CC3CC(C2)CC1C3)c1ccc(N=NC2C(=O)NN=C2C)cc1 MOL20614
-CC1=NOCC1=NNc1ccc(C(C)=NC2C3CC4CC(C3)CC2C4)cc1 MOL20615
-COC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)N1CC2C=CC1C2 MOL20616
-CC(C)N1CC2CC(CN(C(=O)c3ccccc3)C2)C1.[O-][Cl+3]([O-])([O-])O MOL20617
-CC(C)N1CC2CC(CN(C(=O)c3ccc(Cl)cc3)C2)C1 MOL20618
-O=C1C2CN(Cc3ccccc3)CC1CN(CC1CC1)C2 MOL20619
-C[N+](C)(C)CC(CC(=O)[O-])C1CC1 MOL20620
-CN1c2ccccc2NC(CC(=O)O)C2CC=CN21 MOL20621
-CN1c2ccccc2N(C(=O)c2ccccc2)C(CC(=O)O)c2cccn21 MOL20622
-Cc1ccc(C(=O)N2c3ccccc3N(C)n3cccc3C2CC(=O)O)cc1 MOL20623
-COc1ccc(C(=O)N2c3ccccc3N(C)n3cccc3C2CC(=O)O)cc1 MOL20624
-CN1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)C(CC(=O)O)c2cccn21 MOL20625
-CN1c2ccccc2N(C(=O)c2ccc(Cl)cc2)C(CC(=O)O)c2cccn21 MOL20626
-O=C1CC2CCCC(=O)C23CCCC13 MOL20627
-COC(=O)C1CC2(CCOCc3ccccc3)C=CCN3CCC1(c1ccccc1NC(=O)C(C)(C)C)C32 MOL20628
-Brc1cc(C2OCCCO2)ccc1OCc1ccccc1 MOL20629
-COc1cccc(C2=NC(C(C)C)CO2)c1OC MOL20630
-COc1cccc(C2=NC(C(C)C)CO2)c1 MOL20631
-COc1cc(C2=NC(C(C)C)CO2)c(OC)c(OC)c1OC MOL20632
-COc1cc(CO)c(-c2c(CO)cc(OC)c(OC)c2OC)c(OC)c1OC MOL20633
-COc1cccc(C2=NC(C(C)(C)C)CO2)c1-c1ccccc1C1OCCO1 MOL20634
-COc1c(C2=NC(C(C)C)CO2)ccc2ccccc12 MOL20635
-CC(C)C1COC(c2ccc3ccccc3c2-c2c(O[Si](C)(C)C(C)(C)C)ccc3ccccc23)=N1 MOL20636
-COC(=O)C(Cl)=C1CC1 MOL20637
-ClC(Cl)=C(Cl)C1(Cl)CC1COCc1ccccc1 MOL20638
-COC(=O)C(Cl)=C1CC1COCc1ccccc1 MOL20639
-CC12CCC(=O)N1C(c1ccccc1)C(c1ccccc1)O2 MOL20640
-CC12OC(c3ccccc3)C(c3ccccc3)N1C(=O)C1(C(=O)OCc3ccccc3)CC12 MOL20641
-COc1ccc(C2=NC(CO)C(c3ccccc3)O2)cc1OC MOL20642
-O=CCC1CCc2ccccc2C12CCC(=O)CC2 MOL20643
-O=CCC1C=Cc2ccccc2C12C=CC(=O)CC2 MOL20644
-C=CC1c2ccccc2C=CC1(CCC1(C)OCCO1)C1=NC(C)(C)CO1 MOL20645
-C=CC1C=Cc2ccccc2C1(C=O)CCC1(C)OCCO1 MOL20646
-O=C1C=CC23CC1C(O)CC2C=Cc1ccccc13 MOL20647
-O=C1C=CC23C=Cc4ccccc4C2CC(O)C1C3 MOL20648
-C=CC1c2ccccc2C=CC1(CCC1(C)OCCO1)C1=NC(COC)C(c2ccccc2)O1 MOL20649
-C=CC1c2ccccc2C=CC12C=CC(=O)CC2 MOL20650
-O=CCC1c2ccccc2C=CC12C=CC(=O)CC2 MOL20651
-CC1(C)COC(c2cccc3c2C(=O)c2cccc(Cl)c2-3)=N1 MOL20652
-CC=CC1C=Cc2ccccc2C1(C)C1=NC(C)(C)CO1 MOL20653
-COCC(C)(C)N=CN1CCc2ccccc2C1 MOL20654
-COCC(C)(C)N=CN1CCc2cc(OC)c(OC)cc2C1 MOL20655
-COCC(N=CN1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C MOL20656
-COCC(N=CN1CCc2ccccc2C1)c1ccccc1 MOL20657
-COCC(N=CN1CCc2cc(OC)c(OC)cc2C1C)C(C)(C)C MOL20658
-COCC(C)N=CN1CCc2ccccc2C1 MOL20659
-COCC(C)N=CN1CCc2ccccc2C1(Cc1ccccc1)Cc1ccccc1 MOL20660
-CON(C)C(=O)CCCO MOL20661
-CC(=O)OCC(c1ccccc1)N1C(=O)C(OC(C)=O)C(OC(C)=O)C1=O MOL20662
-CC(C)C1COC2(C)CCC(=O)N12 MOL20663
-CC1CC(=O)N2C(OCC2C(C)C)O1 MOL20664
-CC(C)C1COC2OC(C)C(C)C(=O)N21 MOL20665
-CCCCC1C(=O)N2C(OCC2C(C)C)OC1C MOL20666
-COc1ccc2ccccc2c1C1=NC(C)(C)CO1 MOL20667
-COC(c1ccccc1)C(C)N(C)c1ccc2ccccc2c1C1=NC(C)(C)CO1 MOL20668
-COC1=C(C2=NC(C)(C)CO2)c2ccccc2C(CC=C[Si](C)(C)C)C1 MOL20669
-COC1=CC(=O)c2ccccc2C1(C)C1=NC(C)(C)CO1 MOL20670
-CC(C)C1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21 MOL20671
-COC1=CC(=O)c2ccc(C(C)C)cc2C1(C)C1=NC(C)(C)CO1 MOL20672
-CC1=CC(=O)C(C)(C2=NC(C)(C)CO2)c2ccccc21 MOL20673
-CC1(C)COC(C2(C)C(=O)C=C(c3ccccc3)c3ccccc32)=N1 MOL20674
-COC1=CC(=O)c2ccccc2C1(CCC=C(C)C)C1=NC(C)(C)CO1 MOL20675
-CC(C)C1COC2(C)C3CN(Cc4ccccc4)CC3C(=O)N12 MOL20676
-O=C(O)C1=CNC(C(=O)O)=NN1.[NaH] MOL20677
-COC(=O)C1=CNC(C(=O)OC)=NN1 MOL20678
-COc1cc2c(cc1C1=NC(C)(C)CO1)OCO2 MOL20679
-CC1=CC(=O)N2C(OCC2C(C)C)O1 MOL20680
-CC1=CC(=O)N2C(OCC2c2ccccc2)O1 MOL20681
-COCC(C)(C)N=CN1Cc2cc3ccccc3nc2C1 MOL20682
-COCC(N=CN1CCc2cc(OC)ccc2C1)C(C)C MOL20683
-COc1ccc2c(c1)CCN1C3=C(CCC3)C(=O)CC21 MOL20684
-CC(C)(C)N=CN1C=Cc2nc3ccccc3cc2C1 MOL20685
-O=C1C2C3C=CC(C3)C2C2C3C=CC(C3)C12 MOL20686
-Cc1ccc(S(=O)(=O)ONN=C2C3CCCCC3C3OC23)cc1 MOL20687
-O=C1C2C3CC(C4C5C=CC(C5)C34)C2C2C3CC(C12)C1C2C=CC(C2)C31 MOL20688
-C#CC1CCCCCC1O MOL20689
-O=S(=O)(O[IH2](O[IH2](OS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F MOL20690
-O=C1C2C=CC1C1C3OC3C(=O)C21 MOL20691
-CCSC1(SCC)CC(Cc2ccc(OC)cc2)N(C=NC(C)(C)C)C1 MOL20692
-CCSC1(SCC)CCN(C=NC(C)(C)C)C1 MOL20693
-CCSC1=C(C)N(C=NC(C)(C)C)CC1 MOL20694
-CCSC1=CC(Cc2ccc(OC)cc2)N(C(=O)OC)C1 MOL20695
-COc1cc2c(cc1OCc1ccccc1)CNCC2.O=CO MOL20696
-COC(=O)C(C)(C)N=CN(C)C MOL20697
-C=CC12CN3C4C3C1C1(CCC42)C(=O)N(COCC[Si](C)(C)C)c2ccccc21 MOL20698
-CN1CC2CC(=O)CCC2CC1C#N MOL20699
-CN1C(=O)C2(C=CCC2)c2ccccc21 MOL20700
-COC1(C)CC2N(C(=O)c3ccccc3)N=C(c3ccccc3)CC2(C)O1 MOL20701
-CCOC(=O)N1c2c(ccn2C)-c2ccn(C)c2N1C(=O)OCC MOL20702
-CC(O)CCC(=O)c1ccoc1 MOL20703
-CC(O)CCC(=O)c1ccoc1 MOL20704
-CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O MOL20705
-Cc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2COc2ccc(Cl)cc2Cl)cc1 MOL20706
-O=C(CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1F MOL20707
-COc1cc(C=NNC(=O)CC(=O)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)ccc1O MOL20708
-CC(C)=NNC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1 MOL20709
-CC(=NNC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1)c1ccc(Cl)cc1 MOL20710
-COc1ccc(C(C)=NNC(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 MOL20711
-Cc1ccc(N(C(=O)CC(=O)NN=Cc2ccccc2O)C(=O)c2ccccc2)cc1 MOL20712
-O=C(CC(=O)Nc1ccccc1F)NN=Cc1ccccc1 MOL20713
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)Cn1c([N+](=O)[O-])cnc1C MOL20714
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)Cn1ccnc1[N+](=O)[O-] MOL20715
-CN(C)CCOc1ccc([N+](=O)[O-])c2cccnc12.Cl MOL20716
-O=[N+]([O-])c1nccn1CCC[n+]1ccccc1.[Br-] MOL20717
-O=[N+]([O-])c1nccn1CCC[n+]1cccc2ccccc21.[Br-] MOL20718
-COC(=O)CCC(C)C1CCC2C3CCC4CC(COS(=O)(=O)c5ccc(C)cc5)CCC4(C)C3CCC12C MOL20719
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)O)c1)c1cc(Cl)c(OC)c(C(=O)O)c1 MOL20720
-N.O=C(O)c1cc(C(=CCC23CC4CC(CC(C4)C2)C3)c2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O MOL20721
-CC1=CCN(c2ccccn2)OC1c1ccccc1 MOL20722
-CCC1=CCN(c2cc(C)ccn2)OC1c1ccccc1 MOL20723
-COc1ccc(C2ON(c3ccccn3)CC=C2C)cc1 MOL20724
-COc1ccc(C2ON(c3cccc(C)n3)CC=C2C)cc1 MOL20725
-CCC1=CCN(c2cc(C)ccn2)OC1c1ccc(OC)cc1 MOL20726
-CC1C(c2ccccc2)=CCON1c1ccccc1 MOL20727
-COc1ccc(C2ON(c3ccccc3)CC=C2C)cc1 MOL20728
-CCC1=CCN(c2ccc(C)cc2)OC1c1ccc(OC)cc1 MOL20729
-C1=C(c2ccccc2)CN(c2ccccc2)OC1 MOL20730
-COC(=O)c1ccc(N2CC=C(C)C(c3ccc(OC)cc3)O2)cc1 MOL20731
-COC(=O)C1=CCON(c2ccccc2)C1c1ccccc1 MOL20732
-CC1=C(c2ccccc2)CON(c2ccccc2)C1 MOL20733
-FC(F)(F)c1ccc2c(c1)N(CCCN1CCNCC1)c1ccccc1S2 MOL20734
-COC(C(=O)OC1C(=O)N2CCC3CCCC1C32C)c1ccccc1 MOL20735
-COC(C(=O)OC1C(=O)N2CCC3CCC1C32C)c1ccccc1 MOL20736
-NCCCOc1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(OCCCN)cc4)c4ccc(cc5ccc2[nH]5)n4)n3)cc1 MOL20737
-N#Cc1ccc(C2OCC3CC=CCC3CO2)cc1 MOL20738
-COc1ccccc1-n1c(NN)nc2ccc(Br)cc2c1=O MOL20739
-N=C(N)NN=Cc1c[nH]c2ccccc12.O=[N+]([O-])O MOL20740
-N=C(NN=Cc1c[nH]c2ccccc12)Nc1ccccc1.O=[N+]([O-])O MOL20741
-COc1ccccc1NC(=N)NN=Cc1c[nH]c2ccccc12.I MOL20742
-CS(=O)(=O)N(N(CCCl)S(=O)(=O)c1ccccc1)S(C)(=O)=O MOL20743
-CCCC(=O)c1ccc(=O)n(C)c1 MOL20744
-Cn1cc(C(=O)C2CCCCC2)ccc1=O MOL20745
-Cn1cc(C(=O)c2ccccc2)ccc1=O MOL20746
-Cn1cccc(C(=O)c2ccccc2)c1=O MOL20747
-Cn1cc(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1=O MOL20748
-CCC(=O)c1cn(C)c(=O)c2ccccc12 MOL20749
-Cn1cc(C(=O)c2ccccc2)c2ccccc2c1=O MOL20750
-Cn1ccc2c(C(=O)c3ccccc3)cccc2c1=O MOL20751
-CC1=COC(=O)c2ccccc2N1 MOL20752
-COc1c2c(c3c(c1C1OC(C)C(C)O1)CC(C)(C)O3)C(=O)c1ccccc1C2=O MOL20753
-CCOC(=O)Nc1cc2nnc(-c3ccccc3)nc2c(N)n1.Cl MOL20754
-COC1=CC(=Nc2c(Cl)cc(Cl)cc2OC(=O)c2ccc([N+](=O)[O-])cc2)C=C(OC)C1=O MOL20755
-CC(C)(C)C1COC2(C)C3CC3C(=O)N12 MOL20756
-CC(C)(C)C1COC2(c3ccccc3)C3CC3C(=O)N12 MOL20757
-O=C1OCCN(c2cccc(Cl)c2)CCO1 MOL20758
-CC1CN(c2ccc(Cl)cc2)CC(C)OC(=O)O1 MOL20759
-CC1CN(c2ccc(Cl)cc2)CC(C)(C)OC(=O)O1 MOL20760
-CC1COS(=O)N1c1ccccc1 MOL20761
-COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1C=CC=CC12 MOL20762
-COC1(OC)C2(Cl)C3=CCCC=C3C1(Cl)C(Cl)=C2Cl MOL20763
-COP(=O)([O-])OC.C[NH+]1C(=N)C=CN(C2CCC(CO)O2)C1=O MOL20764
-NNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccccc1 MOL20765
-NC(=O)NC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1 MOL20766
-Cc1cc(C)c(C(=O)C(C)C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1 MOL20767
-COc1ccc(C(c2ccccc2)C(C)C(=O)c2c(C)cc(C)cc2C)cc1 MOL20768
-Cc1cc(C)c(C(=O)C=Cc2ccccc2)c(C)c1 MOL20769
-CC(=Cc1ccccc1)C(=O)c1c(C)cc(C)cc1C MOL20770
-Cc1cc(C)c(C(=O)C(=Cc2ccccc2)c2ccccc2)c(C)c1 MOL20771
-Cc1cc(C)c(C(=O)C(C)C(c2ccccc2)c2ccc(Cl)cc2)c(C)c1 MOL20772
-COc1ccc(C(c2ccccc2)C(C)C(=O)c2c(C)cc(C)cc2C)cc1 MOL20773
-O=c1nc(-c2ccccc2)scc1-c1ccccc1 MOL20774
-Brc1ccc(N=c2nc3ccccn3n3nc(-c4ccccc4)cc23)cc1 MOL20775
-[N-]=[N+]=Nc1ccccc1-[n+]1noc([O-])c1Br MOL20776
-C#CCCCCCCCCCC=C1CC(O)COC1=O MOL20777
-C=CCCCCCCCCCC=C1CC(O)COC1=O MOL20778
-C=CCC1(C(C)C(OC(C)=O)c2cc(OC)c(OC)c(OC)c2)CC(OC)CCC1=O MOL20779
-COc1cccc(OC)c1C(=O)OCc1ccccc1 MOL20780
-COCC1C(=O)c2cc3c(cc2C12C=CC1(C=C2)OCCO1)OCO3 MOL20781
-CC1(Cc2ccccc2)C(=O)N2C(CO)C(c3ccccc3)OC2(C)c2ccccc21 MOL20782
-Cc1ccn2c(c1)nc1nc3ccccc3nc12 MOL20783
-C=C1OC(=O)C(=CCCCCCCCCCCCCCCCCC)C1O MOL20784
-COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Br-] MOL20785
-Oc1nc2cccccc-2c1-c1nc2ccccc2[nH]1 MOL20786
-c1ccc(CCCC2Sc3cccc4cccc(c34)S2)cc1 MOL20787
-COC(=O)NN=C(C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20788
-O=[N+]([O-])c1cccc(C(O)C(=NO)c2nc3ccc(Cl)cc3nc2O)c1 MOL20789
-COc1ccc(C(=NNC(=S)NN)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1 MOL20790
-COc1ccc(C(=O)C(c2ccc(OC)cc2)C2C(=O)Oc3ccccc32)cc1 MOL20791
-N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccco1 MOL20792
-NNC(=S)NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)cc1Cl MOL20793
-C[N+](C)(C)CC(=O)NN=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21.[Cl-] MOL20794
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=S)NN)s1 MOL20795
-Cc1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL20796
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=NNC(=S)NN)C1SC(=S)NC1=O MOL20797
-Cc1ccc2nc(NC(=O)C(=NNC(=S)NN)C3C(=O)NC(=S)NC3=O)sc2c1 MOL20798
-CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1SC(=S)NC1=O MOL20799
-O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C1C(=O)NC(=S)NC1=O MOL20800
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1C)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL20801
-COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20802
-COC(=O)C(C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1nc2cc(C)c(C)cc2nc1O MOL20803
-CCc1cccc(C(C)C)c1NC(=O)C(=O)C(C(=O)C(=O)OC)c1nc2ccccc2nc1O MOL20804
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20805
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20806
-COC(=O)C(C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1csc(-n2nc(C3=CCCCC3)cc2-c2ccccc2)n1 MOL20807
-O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL20808
-Cc1cc(Cl)ccc1NC(=O)C(=O)C(C(=O)c1ccccc1)C1OC(=O)c2ccccc21 MOL20809
-CC(C)(C)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL20810
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20811
-O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2C1=O MOL20812
-CC(=O)c1ccc(NC(=O)C(=O)C(C(=O)C=Cc2ccccc2)C2OC(=O)c3ccccc32)cc1 MOL20813
-O=C(Nc1cccc(O)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL20814
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1ccc(O)cc1 MOL20815
-Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)CC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL20816
-Cc1ccccc1NC(=O)C(=O)CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL20817
-COC(=O)C(C(=O)C(=O)Nc1c(C)cccc1C)c1cnc2ccccc2n1 MOL20818
-Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)C(c1cnc2ccccc2n1)[N+](=O)[O-] MOL20819
-O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL20820
-COC(=O)C(C(=O)C(=O)Nc1cccc(OC)c1)c1cnc2ccccc2n1 MOL20821
-O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL20822
-COc1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL20823
-COC(=O)C(C(=NNC(N)=S)C(=O)Nc1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1 MOL20824
-COc1ccc(OC)c(NC(=O)C(=O)CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)c1 MOL20825
-COC(=O)NN=C(Cc1occc(=O)c1O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL20826
-Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1occc(=O)c1O MOL20827
-CC(=O)c1cccc(NC(=O)C(=O)Nn2c(=N)[nH][nH]c2=N)c1 MOL20828
-O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL20829
-N=c1[nH][nH]c(=N)n1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL20830
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL20831
-COC(=O)C(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 MOL20832
-Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL20833
-COC(=O)C(C(=O)C(N)=O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 MOL20834
-CC(=O)c1ccc(NC(=O)C(=O)CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)cc1 MOL20835
-COc1ccc(NC(=O)C(=O)C(C(=O)c2ccccc2)C2OC(=O)c3ccccc32)c([N+](=O)[O-])c1 MOL20836
-Cc1ccc(C)c(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)c1 MOL20837
-Cc1ccc(NC(=O)C(=O)C(C(=O)C=Cc2ccccc2)C2OC(=O)c3ccccc32)c(C)c1 MOL20838
-COC(=O)C(C(=O)C(=O)Nc1nc2ccc(OC)cc2s1)c1cnc2ccccc2n1 MOL20839
-N=c1nc(NC(=O)C2=Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(O)=N2)[nH][nH]1 MOL20840
-COC(=O)C(C(=O)C(=O)Nc1n[nH]c(=S)[nH]1)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 MOL20841
-COC(=O)C(C(=O)C(=O)Nc1ccccc1OC)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 MOL20842
-COC(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2nc1O MOL20843
-NC(=O)c1ccccc1NC(=O)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL20844
-O=C(Nc1nc(=S)[nH][nH]1)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL20845
-Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21 MOL20846
-O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 MOL20847
-O=C(Nc1cc(Cl)ccc1Cl)C(=O)C(c1cnc2ccccc2n1)[N+](=O)[O-] MOL20848
-O=C(Nc1ccc(Cl)cc1Cl)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 MOL20849
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21 MOL20850
-CC(=O)c1ccc(NC(=O)C(=O)C(C(=O)c2ccc(Cl)c(Cl)c2)C2OC(=O)c3ccccc32)cc1 MOL20851
-COC(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 MOL20852
-Cc1cc(Br)cc(C)c1NC(=O)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 MOL20853
-Nn1c(NNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)n[nH]c1=S MOL20854
-O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL20855
-COc1ccc2nc(NC(=O)C(=O)NNC(=O)c3ccncc3)sc2c1 MOL20856
-O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C(C(=O)C=Cc1ccccc1)C1OC(=O)c2ccccc21 MOL20857
-Cn1c2c(cc(-c3ccccc3)c1=O)COc1ccccc1-2 MOL20858
-OCCN1CCN2C=C(C3CCCC4N(CCO)CCN34)CCC21 MOL20859
-NN1C(=O)C(CCO)SC1=NN=C1SC(CCO)C(=O)N1N MOL20860
-CC(=O)OC(OC(C)=O)c1ncccc1C(=O)OC(C)C MOL20861
-CC(C)OC(=O)c1cccnc1C=NO MOL20862
-Oc1cccnc1C=NOCc1ccccc1 MOL20863
-CC1(C)COC(c2cccnc2C=NO)=N1 MOL20864
-CC(C)(C)OC(=O)c1cccnc1C=NO MOL20865
-ON=Cc1ncccc1C1OCCO1 MOL20866
-C(=NOCc1ccccc1)c1ncccc1C1OCCO1 MOL20867
-COC(OC)c1cccnc1C MOL20868
-CC(=O)OCCc1cccnc1C=NO MOL20869
-CN(C)C(=O)Oc1ccc(C=NO)[n+](C)c1.[I-] MOL20870
-CCN(CC)C(=O)Oc1ccc(COC(C)=O)nc1 MOL20871
-CC(=O)OCc1cc(OC(C)=O)cnc1COC(C)=O MOL20872
-CCOC(=O)C(=Cc1cccnc1C)C(=O)OCC MOL20873
-CCN(CC)C(=O)Oc1ccc(C=NO)nc1 MOL20874
-CC(=O)ON=Cc1ncccc1OC(C)=O MOL20875
-CC(=O)OCc1ncccc1C(OC(C)=O)OC(C)=O MOL20876
-CCOC(=O)c1cccnc1C(OC(C)=O)OC(C)=O MOL20877
-C[N+]1=C(c2cccnc2C=NO)OCC1(C)C.[I-] MOL20878
-C[N+]1=C(c2ccc[n+](C)c2C=NO)OCC1(C)C.[I-] MOL20879
-CC(=O)ON=Cc1ncccc1CO MOL20880
-COC(=O)CCc1cccnc1C=NO MOL20881
-O=C1c2ccccc2C(=O)c2c1oc1cc(O)c(Cl)cc21 MOL20882
-CCCCCCCC[Sn](CCCCCCCC)(Oc1cccc2cccnc12)Oc1cccc2cccnc12 MOL20883
-[O-][Ti-2]12([O-])([O+]=C(c3ccccc3)[CH-]C(c3ccccc3)=[O+]1)[O+]=C(c1ccccc1)[CH-]C(c1ccccc1)=[O+]2 MOL20884
-[CH2-][Tl-]1([CH2-])[O+]=C2C=CC=CC=C2[OH+]1 MOL20885
-C[CH-][Tl-]1([CH-]C)[O+]=C(c2ccccc2)[CH-]C(c2ccccc2)=[O+]1 MOL20886
-C[CH-][Tl-]1([CH-]C)[O+]=C(C)[CH-]C(C)=[O+]1 MOL20887
-CC1=[O+][Tl-3]23([O+]=C(C)[CH-]C(c4ccccc4)=[O+]2)([O+]=C(C)[CH-]C(c2ccccc2)=[O+]3)[O+]=C(c2ccccc2)[CH-]1 MOL20888
-CCCCCCCC[Sn](CCCCCCCC)(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] MOL20889
-O=S1Cc2nc3ccccc3n2C1c1c(F)cccc1F MOL20890
-COc1c(OCc2ccccc2)c(OCc2ccccc2)cc(CO)c1-c1c(CO)cc(OCc2ccccc2)c(OCc2ccccc2)c1OC MOL20891
-COc1c(OCc2ccccc2)c(OCc2ccccc2)cc(COS(=O)(=O)O)c1-c1c(COS(=O)(=O)O)cc(OCc2ccccc2)c(OCc2ccccc2)c1OC.[NaH] MOL20892
-CC(=O)NC(CCCNC(=O)NCCCl)C(=O)NCc1ccccc1 MOL20893
-CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl MOL20894
-CC(=O)NC(CCCN(Cc1ccccc1)C(=O)NCCCl)C(=O)NCc1ccccc1 MOL20895
-CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1 MOL20896
-CCCN(CCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O MOL20897
-CC(=O)NC(CCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc1ccccc1 MOL20898
-CC(=O)NC(CCCCNC(=O)NCCCl)C(=O)NCc1ccccc1 MOL20899
-CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl MOL20900
-CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)NCCCl)C(=O)NCc1ccccc1 MOL20901
-CC(=O)NC(CCCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1 MOL20902
-CCCN(CCCCC(NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O MOL20903
-CC(=O)NC(CCCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc1ccccc1 MOL20904
-O=C1c2ccccc2C2CCC1c1ccccc12 MOL20905
-O=C1Cc2ccccc2CCc2ccccc21 MOL20906
-Nc1nc(O)c2ncn(COCCO)c2n1 MOL20907
-O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)CCC2 MOL20908
-COc1cc2c(cc1OC)C(CC(=O)NN=C(C)C)NCC2 MOL20909
-COc1cc2c(cc1OC)C1C(COC(=O)c3ccccc3)CSC(=Nc3ccccc3)N1CC2 MOL20910
-O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1 MOL20911
-O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccc(Cl)cc2)cc1 MOL20912
-COc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1 MOL20913
-Clc1ccc(-n2nnc(C3=NCCN3)c2-c2ccccc2)cc1 MOL20914
-Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccc(Cl)cc2)cc1 MOL20915
-COc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1 MOL20916
-Clc1ccc(-c2c(C3=NCCN3)nnn2-c2ccccc2)cc1 MOL20917
-COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc([N+](=O)[O-])cc2)cc1 MOL20918
-O=[N+]([O-])c1ccc(-n2nnc(C3=NCCCN3)c2-c2ccc(Cl)cc2)cc1 MOL20919
-COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1 MOL20920
-Clc1ccc(-n2nnc(C3=NCCCN3)c2-c2ccccc2)cc1 MOL20921
-Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1 MOL20922
-COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1 MOL20923
-Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1 MOL20924
-CN1CCN=C1c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 MOL20925
-COC1=CC(=O)NCCN1 MOL20926
-CC1=CC(=O)NCCN1C MOL20927
-O=C1CC(c2ccccc2)=Nc2ccccc2N1 MOL20928
-Cc1ccc(C2=Nc3ccccc3NC(=O)C2)cc1 MOL20929
-COc1ccc(C2=Nc3ccccc3NC(=O)C2)cc1 MOL20930
-O=C1CC(c2ccc(Cl)cc2)=Nc2ccccc2N1 MOL20931
-CSC1=Nc2ccccc2N=C(c2ccccc2)C1 MOL20932
-COc1ccc(C2=Nc3ccccc3N=C(SC)C2)cc1 MOL20933
-CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 MOL20934
-COc1ccc(-c2onc(-c3ccc([N+](=O)[O-])cc3)c2C2=NCCCN2)cc1 MOL20935
-O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCCN2)cc1 MOL20936
-COc1ccc(-c2onc(-c3ccc([N+](=O)[O-])cc3)c2C2=NCCN2)cc1 MOL20937
-O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)c2C2=NCCN2)cc1 MOL20938
-O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)cc1 MOL20939
-COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=NCCCN2)cc1 MOL20940
-Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCCN2)c(C)c1 MOL20941
-COc1ccc(-c2onc(-c3c(C)cc(C)cc3C)c2C2=NCCN2)cc1 MOL20942
-Cc1cc(C)c(-c2noc(-c3ccccc3)c2C2=NCCN2)c(C)c1 MOL20943
-Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)c(C)c1 MOL20944
-CCOC(=O)C(C(=O)c1ccccc1)=C1NCCN1 MOL20945
-CCOC(=O)C(C(=O)c1ccccc1)=C1NCCN1C MOL20946
-N#CC(C(=O)c1ccccc1)=C1Nc2ccccc2N1 MOL20947
-COc1ccc(C(=O)C=C2Nc3ccccc3N2C)cc1 MOL20948
-CN1C(=CC(=O)c2ccccc2)Nc2ccccc21 MOL20949
-CN1C(=CC(=O)c2ccc(Cl)cc2)Nc2ccccc21 MOL20950
-CC(=O)C=C1Nc2ccccc2N1 MOL20951
-CCOC(=O)C(C(=O)c1ccccc1)=C1NC(C(=O)OCC)CS1 MOL20952
-CCOC(=O)C(C(C)=O)=C1NC(C(=O)OCC)CS1 MOL20953
-CCOC(=O)C(C(=O)OCC)=C1NC(C(=O)OCC)CS1 MOL20954
-CCOC(=O)C(C#N)=C1NC(C(=O)OCC)CO1 MOL20955
-COC(=O)c1cc(=O)n2c(sc3ccccc32)c1C(=O)c1ccccc1 MOL20956
-CCOC(=O)c1cn2c([nH]c3ccccc32)c(C#N)c1=O MOL20957
-O=C(C=Cc1ccccc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 MOL20958
-O=C(C=Cc1ccc(Br)cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 MOL20959
-O=C(C=Cc1ccco1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 MOL20960
-O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(NCc2nc3ccccc3[nH]2)cc1 MOL20961
-CCOC(=O)CSc1ccnc(O)n1 MOL20962
-CC(=O)n1c2c(c(=O)n1-c1ccccc1)S(=O)CCC2 MOL20963
-CCONC(=N)c1ncn(Cc2ccccc2)c1NCC(OCC)OCC MOL20964
-O=c1cc(O)cc2n1CCC2 MOL20965
-CNc1nnnn1C1OC(CO)C(O)C1O MOL20966
-CCOC(=O)CNc1nnnn1C1OC(CO)C(O)C1O MOL20967
-O=C1CCN2CCC(=O)c3c2c(cc2ccccc32)N1 MOL20968
-Cc1nc2nn(Cc3ccccc3)cc2c(=O)o1 MOL20969
-CC(C)OC(=S)Nc1ccc(Cl)c(COC(C)(C)C)c1 MOL20970
-CC=CCOc1cc(NC(=S)OC(C)C)ccc1Cl.CC=CCOc1cc(NC(=S)OC(C)C)ccc1Cl MOL20971
-Cc1occc1C(=S)Nc1ccc(Cl)c(COC(C)(C)C)c1 MOL20972
-Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1 MOL20973
-Cc1ccc(Sc2cc([N+](=O)[O-])cc(Sc3ccc(C)cc3)c2Sc2ccc(C)cc2)cc1 MOL20974
-O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3ccccc23)cc1 MOL20975
-Nc1ccc(Sc2c3ccccc3nc3ccccc23)cc1 MOL20976
-O=[N+]([O-])c1ccc(Sc2c3ccccc3nc3cc(Cl)ccc23)cc1 MOL20977
-COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc(N)cc3)c2c1 MOL20978
-COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3)c2c1 MOL20979
-COc1ccc2nc3cc(Cl)ccc3c(Sc3ccccc3[N+](=O)[O-])c2c1 MOL20980
-COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc([N+](=O)[O-])cc3C)c2c1 MOL20981
-Nc1ccc2c(SCc3ccc([N+](=O)[O-])cc3)c3ccccc3nc2c1 MOL20982
-COc1ccc2nc3cc(Cl)ccc3c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1 MOL20983
-O=C(CNc1ccc2c(=S)c3ccccc3[nH]c2c1)Nc1ccccc1-c1ccccc1NC(=O)CNc1ccc2c(=S)c3ccccc3[nH]c2c1 MOL20984
-Br.CN(C)CCCSc1c2ccccc2nc2cc(NCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CNc3ccc4c(SCCCN(C)C)c5ccccc5nc4c3)ccc12 MOL20985
-Br.CCN(CC)CCSc1c2ccccc2nc2cc(NCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CNc3ccc4c(SCCN(CC)CC)c5ccccc5nc4c3)ccc12 MOL20986
-Cl.O=C(CSc1c2ccccc2nc2ccccc12)Nc1ccccc1-c1ccccc1NC(=O)CSc1c2ccccc2nc2ccccc12 MOL20987
-Nc1ccc2c(SCC(=O)Nc3ccccc3-c3ccccc3NC(=O)CSc3c4ccccc4nc4cc(N)ccc34)c3ccccc3nc2c1 MOL20988
-O=[N+]([O-])c1ccc2c(Nc3ccccc3-c3ccccc3Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)c3ccccc3nc2c1 MOL20989
-COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3-c3ccccc3Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1 MOL20990
-Cc1c2c(cc3c(=O)ccn(CCN(C)C)c13)c(=O)ccn2CCN(C)C MOL20991
-CCN(CC)CCn1ccc(=O)c2cc3c(=O)ccn(CCN(CC)CC)c3c(C)c21 MOL20992
-Cc1cc([N+](=O)[O-])ccc1Sc1c2ccccc2nc2cc(Cl)ccc12 MOL20993
-Cc1cc([N+](=O)[O-])ccc1Sc1c2ccccc2nc2ccccc12 MOL20994
-COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc(NC(C)=O)cc3)c2c1 MOL20995
-CCOC(=O)CCC(NC(=O)c1ccc(N=Cc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC MOL20996
-CCOC(=O)CCC(NC(=O)c1ccc(NC(OC)c2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC MOL20997
-COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1OC MOL20998
-COc1ccc(Nc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 MOL20999
-Nc1nc2c(N)cc(C(F)(F)F)cc2nc1-c1ccccc1 MOL21000
-COc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1 MOL21001
-O=C(c1ccccc1)c1ccc(OCCOc2ccc(Nc3ccccc3)cc2)cc1 MOL21002
-CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O MOL21003
-CCC(CC)n1cc(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(C(CC)CC)c(=O)[nH]c2=O)c(=O)[nH]c1=O MOL21004
-COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1.Cl MOL21005
-COc1cc2c(cc1O)C1Cc3cc(O)c(OC)cc3C(C2)N1C MOL21006
-COc1cc(CC2c3cc(OC)c(OC)cc3CCN2C)ccc1O MOL21007
-COc1ccc(CC2c3c(cc(OC)c(OC)c3OC)CCN2C)cc1OC.Cl MOL21008
-COc1cccc(Cc2c3cc(OC)ccc3cc[n+]2C)c1.[I-] MOL21009
-COc1ccc(CC2Cc3cc(OC)c(OC)cc3CN2C)cc1.Cl MOL21010
-COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1C MOL21011
-C=CCN1C2Cc3cc(OC)c(OC)cc3C1Cc1cc(OC)c(OC)cc12.Cl MOL21012
-COc1ccc2ccnc(Cc3ccc(OCc4ccccc4)c(OC)c3)c2c1.Cl MOL21013
-COc1ccc(CCC2NCCc3cc(OC)c(OC)cc32)cc1.Cl MOL21014
-COc1ccc(Cc2c3cc(O)c([O-])cc3cc[n+]2C)cc1OC MOL21015
-COc1ccc2c(c1)CC1NC2Cc2ccccc21 MOL21016
-COc1ccc2c(c1)CC1c3c(ccc(OC)c3O)CC2N1C MOL21017
-COc1ccc(Cc2c3cc(O)c([O-])cc3cc[n+]2C)cc1 MOL21018
-COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3C[N+]1([O-])CC2 MOL21019
-COc1cc2c(cc1OC)C(C(=O)O)C(c1ccccc1)N(C)C2=O MOL21020
-COc1cc2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)c2cc1OC MOL21021
-COc1cc(Br)c(C=Nc2cccc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1OC MOL21022
-CN1C(=O)c2ccccc2C(C(=O)O)C1c1ccc2c(c1)OCO2 MOL21023
-C[n+]1cc(C(O)c2ccc3c(c2)OCO3)c2ccccc2c1.[I-] MOL21024
-COc1cc(Br)c(C=Nc2cccc3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)cc1OC MOL21025
-COc1cc2ccc3c4cc(OC)c(OCc5ccccc5)cc4cnc3c2cc1OC MOL21026
-COc1cc2cnc3c4cc(OS(=O)(=O)c5ccccc5)ccc4ccc3c2cc1OC MOL21027
-COc1cc2cccc(N=Cc3cccc(OC)c3OC(C)C)c2cc1OC MOL21028
-COc1cc2cnc3c4ccccc4ccc3c2cc1OC MOL21029
-COc1ccc(OC)c(CCc2cc(OC)c(OC)cc2C)c1 MOL21030
-COc1ccc(CC(=O)c2cc(OC)c(OC)cc2C)cc1OC MOL21031
-CN(C)CCC(O)(c1ccccc1)C(O)(CCN(C)C)c1ccccc1 MOL21032
-COc1ccc2c(c1)OC(c1ccccc1O)CC2=O MOL21033
-COc1cc2ccnc(C#N)c2cc1OCc1ccccc1 MOL21034
-COc1ccc(C(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O MOL21035
-O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1 MOL21036
-O=C(O)c1cc(-c2ccccc2O)nc2ccccc12 MOL21037
-Cc1ccc(C)c2c1CCc1cc3ccccc3nc1-2 MOL21038
-COc1cc2cccc(N=Cc3c(Br)ccc(OC)c3OC(C)C)c2cc1OC MOL21039
-COc1ccc(CCn2c(=O)c3ccccc3n(C)c2=O)cc1 MOL21040
-COc1ccc2c(OC)c3ccoc3nc2c1O MOL21041
-c1ccc2c(c1)CCCc1cc3ccccc3nc1-2 MOL21042
-COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3 MOL21043
-COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CNCC2)OCO3 MOL21044
-CCOc1cc2ccc3c4cc(OC)c(OC)cc4cnc3c2cc1OCC MOL21045
-CCOc1cc2c(cnc3c4cc(OC)c(OC)cc4ccc23)cc1OC MOL21046
-COc1cc2cnc3c4cc(OC(C)C)c(OC)cc4ccc3c2cc1OC MOL21047
-CCOc1cc2c(cc1OC)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[ClH2+] MOL21048
-COc1cc(Br)c(C=Nc2cccc3cc(OC)c(OC)cc23)cc1OC MOL21049
-COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4cnc3c2cc1OC MOL21050
-COc1cc2ccc3c4cc(OC)c(OC(C)C)cc4c[n+](C)c3c2cc1OC.[Cl-] MOL21051
-COc1cc2cnc3c4cc(OC)c(OC(C)C)cc4ccc3c2cc1OC MOL21052
-COc1cc2c[n+](C)c3c4cc(OC)c(OC(C)C)cc4ccc3c2cc1OC.[Cl-] MOL21053
-COc1cc2c(cc1OC)C(Cc1cc(Br)c(OC)c(OC)c1)=[N+](C)CC2.[I-] MOL21054
-COc1ccc(CCC2c3cc(OC)c(OC)cc3CCN2C)cc1OC MOL21055
-COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1 MOL21056
-COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1.[I-] MOL21057
-COc1cc2c[n+](C)c3c4ccccc4ccc3c2cc1OC.COc1cc2cnc3c4ccccc4ccc3c2cc1OC.CS(=O)(O)=[OH+] MOL21058
-CCOC1c2cc(OC)c(OC)cc2-c2ccc3ccccc3c2N1C MOL21059
-COc1cc2ccc3c4ccccc4cnc3c2cc1OC MOL21060
-COc1cc2cccc(N=Cc3ccccc3Cl)c2cc1OC MOL21061
-COc1ccc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2c1.CS(=O)(O)=[OH+] MOL21062
-COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.CS(=O)(O)=[OH+] MOL21063
-COc1cc2cnc3c4cc(OCc5ccccc5)ccc4ccc3c2cc1OC MOL21064
-COc1cc2cnc3c4cc(O)ccc4ccc3c2cc1OC MOL21065
-COC[n+]1cc2cc(OC)c(OC)cc2c2ccc3cc(OC)c(OC)cc3c21.[Cl-] MOL21066
-CCOc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC MOL21067
-CCOc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4ccc3c2cc1OC.[Cl-] MOL21068
-COc1cc(C(=O)Nc2cccc3ccccc23)c(Br)c(OC)c1OC MOL21069
-COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2.[Cl-] MOL21070
-COc1cc2c(cc1O)C1Cc3cc(OC)c(OC)cc3C(C2)N1C MOL21071
-COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4 MOL21072
-COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3 MOL21073
-COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c([O-])[n+](C)c3c2cc1OC MOL21074
-CN1C(OCc2ccccc2)c2c(ccc3c2OCO3)C2C=Cc3cc4c(cc3C21)OCO4 MOL21075
-COc1c2c(cc3c1C(=O)Cc1ccc4c(c1CN(C)CC3)OCO4)OCO2 MOL21076
-COc1cccc(N2C(=O)c3c(c4[nH]c5ccccc5c4c4ccc(C(C)(C)C)cc34)C2=O)c1 MOL21077
-COc1ccc(N2C(=O)c3c(c4[nH]c5ccccc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1 MOL21078
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(F)cc4)C(=O)C3C2C1 MOL21079
-COc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccccc2)C(=O)C31 MOL21080
-CC1CC2C(=O)N(c3ccccc3)C(=O)C2c2[nH]c3ccc(Br)cc3c21 MOL21081
-COc1ccc2[nH]c3c(c2c1)C(C)CC1C(=O)N(c2ccccc2)C(=O)C31 MOL21082
-COc1ccc2[nH]c3c(c2c1)C(c1ccccc1)CC1C(=O)N(c2ccccc2)C(=O)C31 MOL21083
-COc1ccc2[nH]c3c4c(c5cc(C(C)(C)C)ccc5c3c2c1)C(=O)N(c1ccccc1)C4=O MOL21084
-COc1ccc2[nH]c3c4c(cc(-c5ccccc5)c3c2c1)C(=O)N(c1ccccc1)C4=O MOL21085
-O=C1c2ccc3c4ccccc4n(Cc4ccccc4)c3c2C(=O)N1c1ccccc1 MOL21086
-Cc1cccc2c1c1ccc3c(c1n2C)C(=O)C=CC3=O MOL21087
-Cn1cc(-c2ccc3c4ccccc4n(C)c3c2)c2ccccc21 MOL21088
-O=C1CC2C(C=CC23CCCC3)N1O MOL21089
-O=C1CC2C(CCC23CCCC3)N1 MOL21090
-O=C1CC2C(CCC23CC3)N1 MOL21091
-O=C1CC2C(C=CC23CC3)N1O MOL21092
-O=C(O)c1ccc(C2C(=O)NC3CCCC32)cc1 MOL21093
-CCOC(=O)C(C(=O)c1ccccc1)=[N+]1c2ccccc2S[C-]1C MOL21094
-CCOC(=O)C(C=O)=[N+]1c2ccccc2N(C)[C-]1C MOL21095
-CCOC(=O)C(C(=O)c1ccccc1)=[N+]1c2ccccc2N(C)[C-]1C MOL21096
-CCOC(=O)C(C(=O)c1ccc([N+](=O)[O-])cc1)=[N+]1c2ccccc2N(C)[C-]1C MOL21097
-CCOC(=O)C(=O)C(C(=O)OCC)=[N+]1c2ccccc2N(C)[C-]1C MOL21098
-CCCCOC1CC2(c3ccc(OC)cc3)C(=O)c3ccccc3N2O1 MOL21099
-CC1(C)Oc2ccccc2N2OC3C(=O)N(c4ccccc4)C(=O)C3C21c1ccccc1 MOL21100
-CCOC(=O)C1=C(C(=O)OCC)C2(c3ccccc3)N(O1)c1ccccc1C2(C)C MOL21101
-CC1(C)C(c2ccccc2)=NN(O)c2ccccc21 MOL21102
-Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cc(Br)ccc2-c2ccc(Br)cc21 MOL21103
-CCOC(=O)c1cc(-c2ccc(-c3cc(C(=O)OCC)c(C#N)c(N)c3C#N)cc2)c(C#N)c(N)c1C#N MOL21104
-Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)c3cc(C(=O)NCCNc4ccnc5c(C)ccc([N+](=O)[O-])c45)n(C)n3)ccnc12.Cl MOL21105
-Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12.Cl MOL21106
-O=[N+]([O-])c1nccn1CCC[n+]1ccc2ccccc2c1.[Br-] MOL21107
-Cc1ncc([N+](=O)[O-])n1CCn1ccnc1[N+](=O)[O-] MOL21108
-Cc1ncc([N+](=O)[O-])n1CC(O)Cn1ccnc1[N+](=O)[O-] MOL21109
-Cc1ncc([N+](=O)[O-])n1CC(O)Cn1cnc([N+](=O)[O-])n1 MOL21110
-C=CCCC(OCOCCOC)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1 MOL21111
-COCCOCOC(CCCCO)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(C)c1 MOL21112
-Cc1cc(C(O)CCCc2ccccc2)cc(C)c1O MOL21113
-C=CCCC(O)c1cc(C)c(O)c(C)c1 MOL21114
-CC(=O)Oc1c2c(c(O)c3ccccc13)C(n1cnc3c(ncn3C3OC(CO)C4OC(C)(C)OC43)c1=N)CCC2 MOL21115
-Cl.N=C(N)Cn1cnc2ccccc21 MOL21116
-N#Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(C#N)cc2)cc1 MOL21117
-Clc1ccc(SCCCCCCCCCCSc2ccc(Cl)cc2)cc1 MOL21118
-c1ccc2c(OCCSCCCCCCCCCCSCCOc3cccc4ccccc34)cccc2c1 MOL21119
-O=C(C=Cc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 MOL21120
-c1ccc(OCCSCCCCCCCCCCSCCOc2ccccc2)cc1 MOL21121
-O=C(C=Cc1ccc(OCCCCCCCCCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 MOL21122
-Clc1ccc(OCCSCCCCCCCCCCSCCOc2ccc(Cl)cc2)cc1 MOL21123
-O=C(c1ccc(Cl)cc1)c1ccc(OCCCCCCCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 MOL21124
-Cc1c(CCl)c(=O)oc2c(C)c3occ(CCl)c(=O)c3cc12 MOL21125
-Cc1c(C)c2cc3c(=O)ccoc3c(C)c2oc1=O MOL21126
-O=C(c1ccc(Cl)cc1)c1ccc(OCCSCCCCCCCCCCSCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 MOL21127
-Clc1ccc(SCCSCCCCCCCCCCSCCSc2ccc(Cl)cc2)cc1 MOL21128
-CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1 MOL21129
-O=C(C=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccccc1 MOL21130
-O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)N1CCN(c2ccccc2)CC1 MOL21131
-Cc1c(C)c2cc3c(=O)c(CCl)coc3c(C)c2oc1=O MOL21132
-O=C(C=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccc(Cl)cc1 MOL21133
-COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1 MOL21134
-CC(C)(Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl MOL21135
-O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 MOL21136
-O=C(COc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)N1CCN(c2ccccc2)CC1 MOL21137
-O=C(COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1)Nc1c(Cl)cccc1Cl MOL21138
-O=c1c(Cc2ccccc2)c(O)cc2n1CCC2 MOL21139
-CCC1CN2CCC3(c4ccccc4)CC(C(=O)OC)=CC1C23 MOL21140
-Cc1c(C)c2ccc3oc4ccccc4c3c2oc1=O MOL21141
-Oc1cc2cc(-c3ccccc3)[nH]c2c2ccccc12 MOL21142
-CC1=CCP(C(F)(F)F)P(C(F)(F)F)C1 MOL21143
-O=S1(=O)COc2ccccc2-c2ncncc21 MOL21144
-COC(=O)C(C#CCCCCC#CC(NC(=O)OCc1ccccc1)(C(=O)OC)C(F)(F)F)(NC(=O)OCc1ccccc1)C(F)(F)F MOL21145
-CCOC(=O)C1=NC(c2ccccc2)(c2ccccc2)OC1=C(Cl)Cl MOL21146
-CC(=CC(=O)Nc1ccc2nn[nH]c2c1)Nc1ccc2nn[nH]c2c1 MOL21147
-Cc1ccsc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1 MOL21148
-CC(C)OC(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1 MOL21149
-CC(C)(C)ON=Cc1cc(NC(=S)c2ccccc2)ccc1Cl MOL21150
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1 MOL21151
-CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C.C[Sn](Br)(Br)Br MOL21152
-CCOP(=O)(CCP(=O)(OCC)OCC)OCC.CC[Sn](Cl)(Cl)CC MOL21153
-CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C.Cl[Sn](Cl)(Cl)c1ccccc1 MOL21154
-C[Sn](C)(C)OC(=O)C(O)c1ccccc1 MOL21155
-CC(=O)OC(C(=O)O[Sn](C)(C)C)c1ccccc1 MOL21156
-CC[Ge](CC)(CC)OC(=O)C(O[Ge](CC)(CC)CC)c1ccccc1 MOL21157
-CCCC[Ge](CCCC)(CCCC)OC(=O)C(O)c1ccccc1 MOL21158
-COC(=O)C(O[Ge](C)(C)C)c1ccccc1 MOL21159
-CC(=O)OC(C(=O)O[Ge](C)(C)C)c1ccccc1 MOL21160
-CC[Ge](CC)(CC)OC(=O)C(OC(C)=O)c1ccccc1 MOL21161
-CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1 MOL21162
-CCCC[Ge](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1 MOL21163
-COC(C(=O)O[Ge](C)(C)C)c1ccccc1 MOL21164
-CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1 MOL21165
-CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1 MOL21166
-O=S1(=O)Cc2nc3ccccc3n2C1c1c(F)cccc1F MOL21167
-C#CCNC(=O)NCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL21168
-C#CCN(N=O)C(=O)NCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL21169
-C#CCNC(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL21170
-C#CCN(N=O)C(=O)NCCCCC(NC(C)=O)C(=O)NCc1ccccc1 MOL21171
-CSC(C)=NOC(=O)NCCCCNc1ccc(N=[N+]=[N-])cc1 MOL21172
-O=C1C2Cc3ccccc3CN2C(=O)N1CN1CCN(CN2C(=O)C3Cc4ccccc4CN3C2=O)CC1 MOL21173
-COC(=O)c1c2c(c(-c3ccccc3)c3c1-c1nc(Cl)ccc1CC3)CCc1ccc(Cl)nc1-2 MOL21174
-CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7N)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O MOL21175
-CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O MOL21176
-CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1 MOL21177
-CC(OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCCC2C1=O MOL21178
-CC(OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCCC2C1=O MOL21179
-CC1OC2(O)C3CCCN3S(=O)(=O)CCN2C1=O MOL21180
-CC1OC2(O)C3CCCN3S(=O)(=O)CCN2C1=O MOL21181
-O=C1NCCS(=O)(=O)N2CCCC12 MOL21182
-O=C(NCCS(=O)(=O)N1C(=O)C2CCCN2C(=O)C1Cc1ccccc1)OCc1ccccc1 MOL21183
-O=C1NCCS(=O)(=O)NC(CC2=CC=CCC2)C(=O)N2CCCC12 MOL21184
-CN(CCS(=O)(=O)N1C(=O)C2CCCN2C(=O)C1Cc1ccccc1)C(=O)OCc1ccccc1 MOL21185
-CC1=CC=NN2C(=O)C(C)C2C1 MOL21186
-CC1=NN2C(c3ccc(Cl)cc3)=CSC2=NC(C)(C)C1 MOL21187
-CC1=NN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=NC(C)(C)C1 MOL21188
-CC1=NN2C(c3ccc(C)cc3)=CSC2=NC(C)(C)C1 MOL21189
-COc1ccc(C2=CSC3=NC(C)(C)CC(C)=NN23)cc1 MOL21190
-CC1=NN2C(=O)CSC2=NC(C)(C)C1 MOL21191
-CC1=NN2C(=O)C(C)SC2=NC(C)(C)C1 MOL21192
-CC1=NN2C(=O)C(c3ccccc3)SC2=NC(C)(C)C1 MOL21193
-C.N=C1CSC2=NC3=C(CCCC3=Cc3ccccc3)C(c3ccccc3)N12 MOL21194
-CSc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2 MOL21195
-CN(C)c1ccc(-c2nc(N)nc3c2CCCC3)cc1 MOL21196
-COc1ccc(C=C2CN(C)Cc3c2nc(N)nc3-c2ccc(OC)cc2)cc1 MOL21197
-CN1CC(=Cc2ccco2)c2nc(N)nc(-c3ccco3)c2C1 MOL21198
-NC(=S)N1N=C2CCCCCCC2C1c1ccccc1 MOL21199
-NC(=O)N1N=C2c3ccccc3CCC2C1c1ccccc1 MOL21200
-NC(=S)N1N=C2c3ccccc3CCC2C1c1ccccc1 MOL21201
-NC(=O)c1cccc(C2OC(CO)C(O)C2O)c1 MOL21202
-NC(=O)c1cccc(C2OC(COP(=O)(O)O)C(O)C2O)c1.[NaH] MOL21203
-CC12CC(=O)NN=C1c1ccccc1C2 MOL21204
-CCOC(=O)Nn1c(C)cc(C(=O)OC)c1C MOL21205
-COC(=O)c1cc(C)n(NC(=O)OC(C)(C)C)c1C MOL21206
-O=C1OC(=O)C23CSCC12C1C=CC3O1 MOL21207
-Cc1nc2cc(N=Nc3c(O)ccc4ccccc34)ccc2[nH]1 MOL21208
-CCc1nc2cc(N=Nc3c(O)ccc4ccccc34)ccc2[nH]1 MOL21209
-COc1ccc2c(c1)Oc1cc(O)ccc1C2c1ccccc1C(=O)NC(C)c1ccccc1 MOL21210
-O=C(OCc1ccccc1)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCc3ccccc3)ccc12 MOL21211
-COc1ccc2c(c1)Oc1cc(O)ccc1C2c1ccccc1C(=O)NC(C)c1ccccc1 MOL21212
-Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=C1N=C(c2ccc(Cl)cc2)OC1=O MOL21213
-CS(=O)(=O)N(CCC#N)c1ccc(C=C2N=C(c3ccccc3Cl)OC2=O)cc1 MOL21214
-N#CCCN(c1ccc(C=C2N=C(Cc3ccccc3)OC2=O)cc1)S(=O)(=O)c1ccccc1 MOL21215
-Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1C=C1N=C(C=Cc2ccccc2)OC1=O MOL21216
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)Nc1ccccc1Cl MOL21217
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 MOL21218
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)NC(=O)Nc1ccccc1C MOL21219
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)NC(=O)Nc1ccc(Cl)cc1 MOL21220
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(c2ccc(Cl)cc2)C1=O MOL21221
-COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2C=Cc2ccccc2)cc1 MOL21222
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(c2ccc(C(=O)O)cc2)C1=O MOL21223
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(NC(=O)CC(=O)Nc2ccccc2Cl)C1=O MOL21224
-COc1ccc(NC(=O)CC(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3C)N=C2C=Cc2ccccc2)cc1 MOL21225
-CCOC(=O)C(=Cc1ccc(N(CCC#N)CCC#N)cc1C)NC(=O)C=Cc1ccccc1 MOL21226
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(N)=O MOL21227
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)NN MOL21228
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C(NC(=O)C=Cc1ccccc1)C(=O)N=[N+]=[N-] MOL21229
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)OC(=O)N1 MOL21230
-Cc1cc(N(CCC#N)CCC#N)ccc1C(Sc1ccccc1)=C(NC(=O)C=Cc1ccccc1)C(=O)Sc1ccccc1 MOL21231
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(c2cc([N+](=O)[O-])ccc2Cl)N(NC(=O)c2ccc(N=Cc3ccc(N(CCC#N)S(C)(=O)=O)cc3C)cc2)C1=O MOL21232
-Cc1cc(N(CCC#N)CCC#N)ccc1C=Nc1ccc(C(=O)NN2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 MOL21233
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C1=O MOL21234
-CC(C)ON=Cc1cc(NC(=S)OC(C)C)ccc1Cl MOL21235
-CC(C)(C)NCC(COc1ccc([N+](=O)[O-])cc1)OP(c1ccccc1)c1ccccc1 MOL21236
-CC(C)(C)N=C1CC(C)(C)c2ccccc2C(=Nc2ccccc2)S1 MOL21237
-CC1CCSC(N(C(=O)N(C)c2ccccc2)c2ccccc2)=N1 MOL21238
-COc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(=N)[nH]2)c(=O)n1C MOL21239
-COc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(=N)[nH]2)c(=O)n1C MOL21240
-CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(-c2csc(=N)[nH]2)c(=O)n1C MOL21241
-CC(=O)OCC1OC(Nc2[nH]c(=O)n(C)c(=O)c2-c2csc(=N)[nH]2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL21242
-CSc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O MOL21243
-CSc1nc(NC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c2c(n1)OCC2=O MOL21244
-CSc1nc2c(c(O)c(C)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C MOL21245
-CSc1nc2c(c(O)c(C)c(=O)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(=O)n1C MOL21246
-COc1nc2nc(C(O)C(O)CO)cnc2c(=O)n1C MOL21247
-COc1nc2nc(C(O)C(O)CO)cnc2c(=O)n1C MOL21248
-CSc1nc(O)c2ncc(C(O)C(O)C(O)CO)nc2n1 MOL21249
-COc1nc(=O)cc(N)n1C1OC(CO)C(O)C1O MOL21250
-CC(=O)N(C(C)=O)c1c(N)n(C)c(=O)[nH]c1=O MOL21251
-CC(=O)Nc1nc(O)nc(O)c1N(C(C)=O)C(C)=O MOL21252
-CSc1nc(NC(=O)O)c(N(C(C)=O)C(=O)O)c(=O)n1C MOL21253
-CC(=O)OCC1(C)C(N(C)C)CCC23CC24CCC2(C)C(C(C)N(C)C)C(O)CC2(C)C4C=CC13 MOL21254
-CC1C(=O)CC2C(C)(C)CCCC2(C)C12CCC1(C=COC1)O2 MOL21255
-Cn1c2cccc3nnc4cccc(c4c32)n1C MOL21256
-CCOC1=NC(=O)CC(c2ccccc2)S1 MOL21257
-Nc1nc(Cl)[n+]2ncn(C3C=CC(=O)CC3)c2n1 MOL21258
-CC1CN(C2C=CC(=O)CC2)C(=O)NC1=O MOL21259
-Cc1cn(C2C=CCCC2)c(=O)[nH]c1=O MOL21260
-Nc1ncnc2c1ncn2C1CCCCC(O)C1 MOL21261
-CCOC(=O)CC(CC(=O)OCC)n1cnc2c(N)ncnc21 MOL21262
-CCOC(=O)C=CCC(C)n1cc(C)c(=O)[nH]c1=O MOL21263
-C=C(Cn1cnc2c(N)ncnc21)C(=O)OCC MOL21264
-N.Nc1nc(O)[n+]2ncn(CCP(=O)(O)O)c2n1 MOL21265
-CCOP(=O)(CCn1cnc2c(N)ncnc21)OCC MOL21266
-COC(=O)C(Cn1cnc2c(N)ncnc21)P(=O)(OC)OC MOL21267
-COC(=O)C(Cn1cnc2c(Cl)nc(N)nc21)P(=O)(OC)OC MOL21268
-CCOC(=O)C=Cn1cc(C)c(=O)[nH]c1=O MOL21269
-CCOP(=O)(CCn1cc(C)c(=O)[nH]c1=O)OCC MOL21270
-CC1=CC(O)C(=O)C=CC=Cc2csc(n2)C(C)NC(=O)CC2(CC1)S(=O)SC(=O)C2(C)O MOL21271
-O=S1(O)=NN=C(NCc2ccc(Cl)cc2)c2ccccc21 MOL21272
-O=S1(O)=NN=C(NCc2ccc(F)cc2)c2ccccc21 MOL21273
-O=S1(O)=NN=C(NCc2ccc(Cl)c(Cl)c2)c2ccccc21 MOL21274
-O=[N+]([O-])c1ccc(CNC2=NN=S(=O)(O)c3ccccc32)cc1 MOL21275
-CC1(C)N=C(c2ccccn2)C(c2ccccn2)=NC1(C)C MOL21276
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[KH] MOL21277
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)n(C)c1.[NaH] MOL21278
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)n(C)c1.[NaH] MOL21279
-c1ccc(C2Nc3ccccc3C3OCCCC23)cc1 MOL21280
-CC(C)C1CCCC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC(O)C(O)CCC(=O)O1)CC(O)C2C(=O)O MOL21281
-CCOC(=O)Cc1c(Cc2[nH]c(C(=O)OCc3ccccc3)c(CC(=O)OCC)c2CC(=O)OCC)[nH]c(C(=O)OCc2ccccc2)c1CC(=O)OCC MOL21282
-Cn1c(=O)c(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(Cc3ccccc3)c(=O)n(C)c2=O)cn(Cc2ccccc2)c1=O MOL21283
-C=CCn1cc(C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)c2cn(CC=C)c(=O)n(C)c2=O)c(=O)n(C)c1=O MOL21284
-CC#COS(=O)(=O)c1ccc(C)cc1 MOL21285
-CCCCC#COS(=O)(=O)c1ccc(C)cc1 MOL21286
-CC(C)(C)C#COC(=O)c1ccccc1 MOL21287
-CC#COP(=O)(OCC)OCC MOL21288
-CCCCC#COP(=O)(OCC)OCC MOL21289
-CC(C)(C)C#C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(O)(=[OH+])C(F)(F)F MOL21290
-COc1ccc(OC2(c3cc(OC)ccc3OC)OC(=O)c3ccccc32)cc1 MOL21291
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O MOL21292
-COC(=O)C(C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2cc(C)c(C)cc2nc1O MOL21293
-CCOC(=O)C(C(=NNC(=O)OC)C(=O)Nc1ccc(C(C)=O)cc1)c1cnc2ccccc2n1 MOL21294
-N#Cc1ccccc1NC(=O)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 MOL21295
-COC(=O)C(C(=O)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)c1csc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1 MOL21296
-Cc1ccc(Cl)c(NC(=O)C(=O)C(C(=O)c2ccncc2)C2OC(=O)c3ccccc32)c1 MOL21297
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O MOL21298
-O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C(C(=O)c1ccncc1)C1OC(=O)c2ccccc21 MOL21299
-O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C(C(=O)c1ccccc1)C1OC(=O)c2ccccc21 MOL21300
-O=C(Nc1ccc(Br)cc1)C(=O)C(C(=O)c1ccc(Cl)c(Cl)c1)C1OC(=O)c2ccccc21 MOL21301
-CCOC(=O)C(C(=NNC(=O)OC)C(=O)Nc1cc(OC)ccc1OC)c1cnc2ccccc2n1 MOL21302
-Cc1cc(Br)cc(C)c1NC(=O)C(=O)CC(=O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL21303
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL21304
-N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL21305
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1occc(=O)c1O MOL21306
-CC1CC(=O)C(CC(=O)O)C1C(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)[N+](=O)[O-] MOL21307
-Cc1ccc(NC(=O)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2C(=O)NC(=O)NC2=O)cc1 MOL21308
-O=C(Nc1ccc(Cl)cc1Cl)c1cc(=NO)c2ccc(O)cc2o1 MOL21309
-O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)C1CCCS1(=O)=O MOL21310
-N#Cc1ccccc1NC(=O)C(=O)C1NC(=S)NC1=O MOL21311
-Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O MOL21312
-Cc1cc(Cc2cc(C)c(NC(=O)C(=O)C3C(=O)NC(=S)NC3=O)c(C(C)C)c2)cc(C(C)C)c1NC(=O)C(=O)C1C(=O)NC(=S)NC1=O MOL21313
-Cc1cccc(NC(=O)C(=O)Cc2nc3ccccc3nc2O)c1C MOL21314
-CCc1cccc(C(C)C)c1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O MOL21315
-COc1ccc(NC(=O)C(Cc2nc3ccccc3nc2O)=NO)c(OC)c1 MOL21316
-COc1ccc(NC(=O)C(=O)Cc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2CC(=O)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1 MOL21317
-COc1ccc(NC(=O)C2=CC(=O)c3ccc(O)cc3C2=O)c(OC)c1 MOL21318
-CCc1cc(Cc2cc(CC)c(NC(=O)C3=CC(=O)CC(c4ccc(OC)cc4)O3)c(CC)c2Cl)c(Cl)c(CC)c1NC(=O)C1=CC(=O)CC(c2ccc(OC)cc2)O1 MOL21319
-CC(=O)c1sc(Nc2nnc(-c3ccc(-c4nnc(Nc5nc(C)c(C(C)=O)s5)o4)cc3)o2)nc1C MOL21320
-CSC(=NC(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N.I MOL21321
-Cc1cccc(C)c1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O MOL21322
-Clc1ccc2c(c1)[nH]c1c2nc2sccn21 MOL21323
-Brc1nc2c3ccccc3ncn2c1Br MOL21324
-S=c1sc2cscc2s1 MOL21325
-O=c1c(-c2ccccc2)c(O)[nH]c2nc3ccccc3n12 MOL21326
-N#CC1CCCCCCCCCCC(=O)N(CCCl)C1=O MOL21327
-CN1S(=O)(=O)N(C)P12(N=P(CP(=NP13(N(C)S(=O)(=O)N1C)N(C)S(=O)(=O)N3C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N(C)S(=O)(=O)N2C MOL21328
-COc1cc(CNc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL21329
-CCOC(=O)CCC(NC(=O)c1ccc(N=Cc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)OCC MOL21330
-COc1cc(CO)c(C2OC(CO)C(O)C2O)c(OC)c1 MOL21331
-CC(C)(C)OC(=O)NC1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1=O MOL21332
-O=C1C=CC2(C=C1)CCC(=O)O2 MOL21333
-CC(=O)NC1CC2(C=C(Br)C(=O)C(Br)=C2)OC1=O MOL21334
-N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] MOL21335
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 MOL21336
-Oc1cc(-n2cccn2)c(O)cc1-n1cccn1 MOL21337
-Cc1cc(C)n(-c2c(O)ccc(O)c2-n2nc(C)cc2C)n1 MOL21338
-Oc1ccc(O)c(-n2cccn2)c1-n1cccn1 MOL21339
-Oc1ccc(O)c(-n2cccn2)c1 MOL21340
-C=CC1(C)CC(O)C2C(=C)C(=O)OC2C1C(=C)C=O MOL21341
-O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(O)cc2O1 MOL21342
-O=C1C=C(c2ccc(O)cc2)C(O)Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O1.O=C1C=C(c2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2O)Cc2ccc(O)cc2O1 MOL21343
-COC(=O)C1(C)CCCC2(C)C3CC4OOC3(C=C4C(C)C)CCC12 MOL21344
-COC(=O)C1(C)CCCC2(C)C1CCC1=CC3(C(C)C)CCC12OO3 MOL21345
-COC(=O)C1(C)CCCC2(C)C1CCC1=CC3(C(C)C)CCC12OO3 MOL21346
-C=C1C(=O)OC2C1CC(O)C(C)(CC)C2C(=C)C=O MOL21347
-C=C1C(=O)OC2C=C(C=O)CCC=C(C)C(O)CC12 MOL21348
-COC(=O)C1(C)CCCC2(C)C3CC4OOC3(C=C4C(C)(C)O)CCC12 MOL21349
-N#CC1([N+](=O)[O-])C=C1c1ccccc1 MOL21350
-CCC1=C(CC)C1(C#N)[N+](=O)[O-] MOL21351
-CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)cc(O)c1C(=O)O MOL21352
-CCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCC)cc(O)c1C(=O)O MOL21353
-CCCCCCCc1cc(OC(=O)c2c(C)cc(OC)cc2O)cc(O)c1C(=O)O MOL21354
-Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O)O MOL21355
-COc1cc(C)c2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2 MOL21356
-COc1c(C)c2c(c(C)c1Cl)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 MOL21357
-CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2 MOL21358
-COc1cc(Oc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(C(C)=O)c(O)c1C MOL21359
-CC1(O)CCC23CC1CC2CCC1C(C)(CO)CCCC13C MOL21360
-CC(=O)OCC1(O)CCC23CC1CC2CCC1C(C)(C)CCCC13C MOL21361
-CC(C)c1ccc2c(c1)CCC1C2(C)CCC(O)C1(C)C MOL21362
-CC1(C)CCCC2(C)C1CCC1CC(O)C3(C)CCC12C3 MOL21363
-C=CC1(C)CCC2(O)C(CCC3C(C)(COC(=O)CC(=O)OC)CCCC32C)C1 MOL21364
-COC(=O)C1(C)CCCC2(C)C1CCC1C=C(C)C3CCC12C3 MOL21365
-CC(=O)OCC1(C)CCCC2(C)C1CCC1C=C(C)C3CCC12C3 MOL21366
-COC(=O)CC(=O)OC1CC2CCC3C(C)(C)CCCC3(C)C23CCC1(C)C3 MOL21367
-Oc1ccc([Te]CCNCC[Te]c2ccc(O)cc2)cc1 MOL21368
-Brc1ccc2c(C3CNC(c4c[nH]c5cc(Br)ccc45)CN3)c[nH]c2c1 MOL21369
-CCN(CC)CCCC(C)Nc1ccnc2ccc3nn(C)nc3c12.O=P(O)(O)O MOL21370
-CC(C)NCCCC(C)Nc1ccnc2ccc3nn(C)nc3c12.O=P(O)(O)O MOL21371
-CCN(CC)Cc1cc(Nc2ccnc3ccc4nn(C)nc4c23)ccc1O.Cl MOL21372
-Cn1nc2ccc3nccc(NCCNCCO)c3c2n1 MOL21373
-CCN1CCN(c2ccc(Nc3ccnc4ccc5nn(C)nc5c34)cc2)CC1 MOL21374
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(OCC(F)(F)F)OCC(F)(F)F MOL21375
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1COCC(F)(F)F MOL21376
-O=c1[nH]c(=O)n(C2C=CC(CO)O2)cc1C(OCC(F)(F)F)OCC(F)(F)F MOL21377
-O=c1[nH]c(=O)n(C2CC(F)(F)C(CO)O2)cc1COCC(F)(F)F MOL21378
-CCNC1C2C3CC4C5CC(C42)C1(C)C53 MOL21379
-Cl.NC1C2C3CC4C5CC(C42)C1(c1ccccc1)C53 MOL21380
-CCCCNC1C2C3CC4C5CC(C42)C1(C)C53.Cl MOL21381
-CCCC(=O)NC1C2C3CC4C5CC(C42)C1(C)C53 MOL21382
-CC12C3CC4C5CC(C(C53)C1NCc1ccccc1)C42.Cl MOL21383
-N#CC12C3C4CC5C6C4C1C6C(O)(C53)N2Cc1ccccc1 MOL21384
-O=C1NC(Cc2ccccc2)C(=O)N2CCCC12 MOL21385
-O=C1NC(Cc2ccc(O)cc2)C(=O)N2CCCC12 MOL21386
-CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O MOL21387
-Cc1cc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL21388
-O=C(O)c1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 MOL21389
-Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 MOL21390
-O=[N+]([O-])c1cccnc1S(=O)(=O)c1ccccc1 MOL21391
-O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-] MOL21392
-Fc1cccc(F)c1C1SCc2nc3ncccc3n21 MOL21393
-Oc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL21394
-Oc1ccccc1C1SCc2nc3ccccc3n21 MOL21395
-COc1ccccc1C1SCc2nc3ccccc3n21 MOL21396
-CC(C)(C)C1=NOC2C(NC(=O)c3ccccc3)CCC12 MOL21397
-CC(=O)c1c(O)ccc2c1CC(CC=O)O2 MOL21398
-CC(c1ccccc1)N1OC12CCC1(C)C(CCCC13OCCO3)C2 MOL21399
-CC(=O)Oc1c2c(c(OC(C)=O)c3c1n(C(C)=O)c1ccccc1n3C(C)=O)n(C(C)=O)c1ccccc1n2C(C)=O MOL21400
-C=C(C)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL21401
-CC(O)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL21402
-CC(CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL21403
-CC(CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1ccccc1 MOL21404
-OCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL21405
-OCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL21406
-CC(C)=CCCC(C)=CCCC(C)=COP(=O)(O)OP(=O)(O)O.N MOL21407
-CCOC(=O)C(C[Si](C)(C)C)P(=O)(OCC)OCC MOL21408
-CC12CCC3C(CCC4C(C)(C)CCCC43C)(CC1=O)C2 MOL21409
-CC(C)c1cc(C(C)C)c(S(=O)(=O)N=[N+]=[N-])c(C(C)C)c1 MOL21410
-CC1(C)CCCC2(C)C1CCC13CC(C)(CCC21)C3CO MOL21411
-COC(=N)C(C)C.Cl MOL21412
-CN(O)C(=S)c1ccccc1 MOL21413
-ON(Cc1ccccc1)C(=S)c1ccccc1 MOL21414
-CCC(=S)N(C)O MOL21415
-CC(C)C(=S)N(C)O MOL21416
-CN(O)C(=O)Cc1ccccc1 MOL21417
-CN(O)C(=O)c1ccccc1 MOL21418
-CC(=O)N(O)Cc1ccccc1 MOL21419
-CCC(=O)N(O)C(C)(C)C MOL21420
-CC(=O)N(C)OC(=O)CC(=O)c1ccccc1 MOL21421
-CC(=O)CC(=O)ON(C)C(C)=O MOL21422
-CCOC(=O)CC(=O)ON(C)C(C)=O MOL21423
-CN(OC(=O)CC(=O)c1ccccc1)C(=O)Cc1ccccc1 MOL21424
-CC(=O)CC(=O)ON(C)C(=O)Cc1ccccc1 MOL21425
-CCOC(=O)CC(=O)ON(C)C(=O)Cc1ccccc1 MOL21426
-CN1C(=O)CCC1(O)C1C=CC=CC1 MOL21427
-CSC(c1ccccc1)=[N+](C)[O-].I MOL21428
-CSC(c1ccccc1)=[N+]([O-])Cc1ccccc1.I MOL21429
-CCC(SC)=[N+](C)[O-].I MOL21430
-CC(N)=[N+](C)[O-].Cl MOL21431
-CC(SCC(=O)O)=[N+]1CCCCC1.[Br-] MOL21432
-C=CC1(C)CCC2=C(CCC3C(C)(C(=O)OC)CCCC23C)C1=O MOL21433
-C=CC1(C)C=C2C(O)CC3C(C)(C(=O)OC)CCCC3(C)C2CC1 MOL21434
-CC(C)=CCCC(C)=CCCC(C)=CC(O)c1ccccc1 MOL21435
-CC(C)=CC1CC(=[N+]=[N-])C(=O)C1(C)C MOL21436
-COC(=O)C1(C)C(=O)CCC1C=O MOL21437
-CCOC(=O)C1(C)CCC(C(=O)OC)C1=O MOL21438
-CC(C)=CCCC(C)=CCCC(C)=CC1CCC(=O)C1(C)C MOL21439
-COC(=O)C1(C)C(=NNS(=O)(=O)c2ccc(C)cc2)CCCC1C MOL21440
-CC(C)=CC1CC(=O)C1(C)Sc1ccccc1 MOL21441
-CCOC(=O)COS(=O)(=O)C(F)(F)F MOL21442
-CCOC(OC1=C(C#N)CCC1)C(C)[Se]c1ccccc1 MOL21443
-CCOC(=O)C1=C(OC(OCC)C(C)[Se]c2ccccc2)CCC1 MOL21444
-CCOC(=O)C1=C(OC(OCC)C(CC)[Se]c2ccccc2)CCC1 MOL21445
-CCOC(=O)C1=C(OC(OCC)C([Se]c2ccccc2)C(C)C)CCC1 MOL21446
-CCOC(OC1=C(C#N)CCC1)C(CC)[Se]c1ccccc1 MOL21447
-CCOC(OC1=C(C#N)CCCC1)C(CC)[Se]c1ccccc1 MOL21448
-CCOC(=O)C1=C(OC(OCC)C(CC)[Se]c2ccccc2)CCCC1 MOL21449
-CCOC(OC1=CCCC1)C(C)[Se]c1ccccc1 MOL21450
-CCOC=CC(C)C1(C(=O)OCC)CCCCC1=O MOL21451
-CCOC(=O)C1([Se]c2ccccc2)CCCC1=O MOL21452
-CCOC(OCC)C(CC)[Se]c1ccccc1 MOL21453
-CCOC(OCC)C(CC)[Se]c1ccccc1[N+](=O)[O-] MOL21454
-CCOC(OC1=C(C#N)CCCC1)C(CC)[Se]c1ccccc1[N+](=O)[O-] MOL21455
-CCOC(OC1=C(C#N)CCCC1)C(C)[Se]c1ccccc1 MOL21456
-CC1=CCC2(C#N)CCC1C2O MOL21457
-CC1=CCC2(C#N)CCC1C2=O MOL21458
-CC1(O)CCC2(C#N)CCC1C2O MOL21459
-CCOC(=O)C1(CC=C(C)Cl)CCCC1=O MOL21460
-CC1(O)C=CC2CCC1C2O MOL21461
-O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC1C2CCC1C1OC1C2 MOL21462
-CS(=O)(=O)OC1CCC2(C#N)CCC1C2=O MOL21463
-N#CC12CCC(O)C(CC1)C2=O MOL21464
-CCOP(=O)(OCC)OC1C=CC2CCC1C2 MOL21465
-COP1(=O)OCC(C)(C)CO1 MOL21466
-CCOP(=O)(OCC)OP(=O)(OCC)OCC MOL21467
-CCOP(=O)(OCC)OP1OCC(C)(C)CO1 MOL21468
-CC(NC(=O)OC1C2C=CC(O)C1CC2)c1ccccc1 MOL21469
-CCOC(=O)CC(C)C1(C(=O)OC)CCCC1=O MOL21470
-CCOC(=O)CC(C)C1(C=O)CCCCC1=O MOL21471
-CCOC(=O)CC(C)C1(C(=O)OCC)CCCCC1=O MOL21472
-CCOC(=O)CCC1(C(=O)OCC)CCCC1=O MOL21473
-CCOC(OCC)(OCC)C(Br)CC MOL21474
-CC#CC(OCC)(OCC)OCC MOL21475
-C=CC(OCC)(OCC)OCC MOL21476
-CCCC(OCC)(OCC)OCC MOL21477
-COC(=O)C1(C(C)CC(=O)O)CCCCC1=O MOL21478
-C=CC(C)C1(C(=O)OC)CCCC12OCCO2 MOL21479
-CCOC(=O)CCC1(C(=O)OC)CCCC1=O MOL21480
-CCOC(=O)CCC1(C(=O)OCC)CCCCC1=O MOL21481
-CC(c1cccc2ccccc12)[N+](=O)[CH-]c1ccccc1 MOL21482
-CC(c1ccccc1)[N+](=O)[CH-]c1ccccc1 MOL21483
-COc1ccc(C=[N+]([O-])C(COCc2ccccc2)c2ccccc2)cc1 MOL21484
-CC(c1ccccc1)N1CC(C)(c2ccccc2)N(O)C(c2ccccc2)C1C MOL21485
-CN1C(c2ccccc2)N1C MOL21486
-O=[N+]([CH-]c1ccccc1)C(COCc1ccccc1)c1ccccc1 MOL21487
-CC1(C)OCC(C(O)C2OC(C)(C)OC2C=NO)O1 MOL21488
-CCOC(=O)C1(C(=O)OCC)OC(=O)NC2=C1CCCC2 MOL21489
-BrC1=CC2C(C3C=CC2(Br)C32OCCO2)C12OCCO2 MOL21490
-O=C(O)C12C3C4C1C1C2C3C1(Br)C41OCCO1 MOL21491
-BrC12C3C4C5C(C(C43)C13OCCO3)C52 MOL21492
-N#COc1ccc(Oc2ccccc2)cc1 MOL21493
-CC(C)(c1ccccc1)c1ccc(OC#N)cc1 MOL21494
-N#COc1ccc(Oc2ccc(OC#N)cc2)cc1 MOL21495
-CC(C)(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1 MOL21496
-CC(C)(c1ccccc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 MOL21497
-CC(C)(c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1)c1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 MOL21498
-N#Cc1ccc(Oc2ccccc2)cc1C#N MOL21499
-N#Cc1ccc(Sc2ccccc2)cc1C#N MOL21500
-CC(C)(C)c1cc(Oc2ccc(C#N)c(C#N)c2)cc(C(C)(C)C)c1 MOL21501
-CC(C)(C)c1ccc(Oc2ccc(C#N)c(C#N)c2)c(C(C)(C)C)c1 MOL21502
-N#Cc1ccc(Oc2cccc(Oc3ccccc3)c2)cc1C#N MOL21503
-N#Cc1ccc(Oc2cccc(N)c2)cc1C#N MOL21504
-CC(C)(c1ccccc1)c1ccc(Oc2ccc3c4nc5nc(nc6nc(nc7nc(nc(n4)c3c2)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc72)c2ccc(Oc3ccc(C(C)(C)c4ccccc4)cc3)cc62)c2cc(Oc3ccc(C(C)(C)c4ccccc4)cc3)ccc52)cc1 MOL21505
-CC(C)(C)COc1ccc2c3nc4nc(nc5nc(nc6nc(nc(n3)c2c1)c1ccc(OCC(C)(C)C)cc61)c1ccc(OCC(C)(C)C)cc51)c1cc(OCC(C)(C)C)ccc41 MOL21506
-CCCCCCCCCCCCCCCCCCOc1ccc2c3nc4nc(nc5nc(nc6nc(nc(n3)c2c1)c1cc(OCCCCCCCCCCCCCCCCCC)ccc61)c1ccc(OCCCCCCCCCCCCCCCCCC)cc51)c1cc(OCCCCCCCCCCCCCCCCCC)ccc41 MOL21507
-CC(C)(C)c1ccc(Oc2ccc3c4nc5nc(nc6nc(nc7nc(nc(n4)c3c2)c2ccc(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)cc72)c2ccc(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)cc62)c2cc(Oc3ccc(C(C)(C)C)cc3C(C)(C)C)ccc52)c(C(C)(C)C)c1 MOL21508
-c1ccc(Oc2cccc(Oc3ccc4c5nc6nc(nc7nc(nc8nc(nc(n5)c4c3)c3ccc(Oc4cccc(Oc5ccccc5)c4)cc83)c3ccc(Oc4cccc(Oc5ccccc5)c4)cc73)c3cc(Oc4cccc(Oc5ccccc5)c4)ccc63)c2)cc1 MOL21509
-CCCCCCCCCc1ccc(Oc2ccc3c4nc5nc(nc6nc(nc7nc(nc(n4)c3c2)c2ccc(Oc3ccc(CCCCCCCCC)cc3)cc72)c2ccc(Oc3ccc(CCCCCCCCC)cc3)cc62)c2cc(Oc3ccc(CCCCCCCCC)cc3)ccc52)cc1 MOL21510
-CCCCOC(=O)CNC(=O)OCC=CC#CC#CC=CCOC(=O)NCC(=O)OCCCC MOL21511
-CCCCOC(=O)CNC(=O)OCCCCC#CC#CCCCCOC(=O)NCC(=O)OCCCC MOL21512
-O=C1C=CC=CC2CC=CC(O)C12 MOL21513
-FC(F)(F)c1nc2c(ccc3[nH]c4c(-c5ccccc5)nccc4c32)[nH]1 MOL21514
-COc1c(OC(C)C)cc2cc(O)c(C(=O)NC3Cc4ccc(c(Cl)n4)OC4C=C5C#CC(=CC#CC6OC56C4OC4CC(C)(O)C(O)C(C)O4)C(OC4CC(O)C(N(C)C)C(C)O4)COC3=O)cc2c1OC MOL21515
-Nc1c([N+](=O)[O-])nc(Cl)c2nncn12 MOL21516
-Cc1c2ccncc2cc2c1sc1ccncc12 MOL21517
-CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O MOL21518
-CC(=CC(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O MOL21519
-CC(=CC(=O)OCCCCCCCC(=O)NC1CCCNC1=O)CC1OCC(CC=CC(C)C(C)O)C(O)C1O MOL21520
-CC(O)C(C(=O)O)N(CC1(O)OCC(O)C(O)C1O)N=O MOL21521
-CC(C)C(C(=O)O)N(CC1(O)OCC(O)C(O)C1O)N=O MOL21522
-CSCCC(C(=O)O)N(CC1(O)OCC(O)C(O)C1O)N=O MOL21523
-O=NN(CC1(O)OCC(O)C(O)C1O)C(Cc1c[nH]c2ccccc12)C(=O)O MOL21524
-O=C(O)C12CC3CC(CC(F)(C3)C1)C2 MOL21525
-NC(=O)C12CC3CC(CC(F)(C3)C1)C2 MOL21526
-Cl.NC12CC3CC(C1)CC(Cl)(C3)C2 MOL21527
-O=C(NC12CC3CC(CC(F)(C3)C1)C2)c1ccccc1 MOL21528
-COC(=O)NC12CC3CC(CC(F)(C3)C1)C2 MOL21529
-NC(=O)NC12CC3CC(CC(F)(C3)C1)C2 MOL21530
-CC(C)(C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2 MOL21531
-Cc1ccc(NC(=O)NC23CC4CC(CC(F)(C4)C2)C3)cc1 MOL21532
-O=C(NC1CCCCC1)NC12CC3CC(CC(F)(C3)C1)C2 MOL21533
-Cc1ccc(S(=O)(=O)NC(=O)NC23CC4CC(CC(F)(C4)C2)C3)cc1 MOL21534
-CCOC(=O)C(C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2 MOL21535
-COC(=O)C(CC(C)C)NC(=O)NC12CC3CC(CC(F)(C3)C1)C2 MOL21536
-COc1ccc(NC(=O)C(=O)C2NC(=S)NC2=O)c(OC)c1 MOL21537
-COc1cccc(NC(=O)C(=O)C2C=CCS2(=O)=O)c1 MOL21538
-Cc1ccc(NC(=O)C(=O)Cc2cccc[n+]2[O-])cc1C MOL21539
-C=C(Nc1ccc(OC)cc1OC)C(=O)Cc1cccc[n+]1[O-] MOL21540
-Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)C2C=CCS2(=O)=O)cc1Cl MOL21541
-O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)C1C=CCS1(=O)=O MOL21542
-Cc1ccc(NC(=O)C(=O)Cc2cc[n+]([O-])cc2)cc1 MOL21543
-Cc1ccc(NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)cc1C MOL21544
-COc1ccc(NC(=O)C(=O)C2CNC(=O)NC2=O)c(OC)c1 MOL21545
-Cc1ccc(NC(=O)C(=O)C2NC(=S)NC2=O)c([N+](=O)[O-])c1 MOL21546
-Cc1c(Cl)cccc1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O MOL21547
-NS(=O)(=O)c1cc2c(cc1Cl)N=C(C(=O)c1cc(=O)c3ccc(O)cc3o1)N=S2(=O)O MOL21548
-O=C1NC(=O)C(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1 MOL21549
-O=C(Cc1cc[n+]([O-])cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL21550
-O=C1NC(=O)C(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1 MOL21551
-Cc1cccc(NC(=O)C(=NNC(C)(C)C)C2NC(=S)NC2=O)c1C MOL21552
-COc1cccc(NC(=O)C(CC(=O)CC(c2ccccc2)c2c(O)c3ccccc3oc2=O)=NNC(C)(C)C)c1OC MOL21553
-N#CC(C(=NNC(=O)c1ccncc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1 MOL21554
-NS(=O)(=O)c1cc2c(cc1Cl)=NC(C(=NNC(=O)c1ccncc1)C1C(=O)NC(=O)NC1=O)=NS=2(=O)O MOL21555
-Cc1nc2ccc(N)cc2nc1O MOL21556
-O=C(Nc1cc(Cl)cc(Cl)c1)C(Cc1nc2ccccc2nc1O)=NNC(=O)c1ccncc1 MOL21557
-CC(C)c1ccc(Cc2ccc(C(C)C)c(NC(=O)C(=O)Cc3cnc4ccccc4n3)c2C(C)C)c(C(C)C)c1NC(=O)C(=O)Cc1cnc2ccccc2n1 MOL21558
-CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)Cc3nc4ccccc4nc3C)c2CC)c(CC)c1NC(=O)C(=O)Cc1nc2ccccc2nc1C MOL21559
-O=C1NC(=O)C(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1 MOL21560
-CCc1cc(Cc2ccc(C)c(NC(=O)C(=O)C3C(=O)NC(=O)NC3=O)c2CC)cc(C)c1NC(=O)C(=O)C1C(=O)NC(=O)NC1=O MOL21561
-CCOc1ccc(NC(=O)C(Cc2nc3ccccc3nc2O)=NO)cc1 MOL21562
-CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)C3NC(=S)NC3=O)c2CC)c(CC)c1NC(=O)C(=O)C1NC(=S)NC1=O MOL21563
-O=C(Nc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)n1)c1cc(=O)c2ccccc2o1 MOL21564
-NC(=O)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2nc1O MOL21565
-O=C(c1cc(=O)c2ccc(O)cc2o1)c1ccc(Cl)cc1Cl MOL21566
-N#Cc1ccccc1NC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)C1C(=O)NC(=O)NC1=O MOL21567
-NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O MOL21568
-O=C(Nc1ccc(Cl)cc1)C(Cc1cccc[n+]1[O-])=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL21569
-Cc1nc2ccccc2nc1CC(=O)C(=O)Nc1ccc(Cl)cc1Cl MOL21570
-C[N+](C)(C)CC(=O)NN=C(C(=O)Nc1ccc(Cl)cc1)C1C(=N)NN(c2ccccc2)C1=O.[Cl-] MOL21571
-COc1c2c(c(OC)c3c(=O)cc(CC(=NNC(=O)C[n+]4ccccc4)C(=O)Nc4cc(C)ccc4C)oc13)OCO2.[Cl-] MOL21572
-Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1ccc(Cl)cc1C MOL21573
-NC(=O)c1cc(N(CCO)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-] MOL21574
-C[N+](C)([O-])CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl MOL21575
-BrCC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[BrH2+] MOL21576
-COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)I MOL21577
-COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)I MOL21578
-COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL21579
-COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL21580
-CC1(Br)C(=O)NC(=O)N(C2CC(F)C(CO)O2)C1N=[N+]=[N-] MOL21581
-CC1(Br)C(=O)NC(=O)N(C2CC(N=[N+]=[N-])C(CO)O2)C1N=[N+]=[N-] MOL21582
-CC1(Cl)C(=O)NC(=O)N(C2CC(N=[N+]=[N-])C(CO)O2)C1N=[N+]=[N-] MOL21583
-CC1(Br)C(=O)NC(=O)N(C2C=CC(CO)O2)C1N=[N+]=[N-] MOL21584
-COC(=O)C1CC2C=CC=CC(=O)C2(C)C1 MOL21585
-C[Si](C)(C)c1ccc(-c2sc(-c3ccc([Si](C)(C)C)s3)c3c2C[Si]2(C3)Cc3c(-c4ccc([Si](C)(C)C)s4)sc(-c4ccc([Si](C)(C)C)s4)c3C2)s1 MOL21586
-COc1ccc2c3c1OC1(C)C4(OC)C=CC5(c6c(O)ccc(O)c64)C(C2)N(C)CCC351 MOL21587
-Cn1ccc(=NS(=O)(=O)c2ccccc2)cc1 MOL21588
-Cc1cccc2[n+]1C1C3OC(c4ccccc43)C1S(=O)N2.[FH+][B-]([FH+])([FH+])[FH+] MOL21589
-CC(=O)NC1C(O)CN2C(=O)C(=O)OC(C(O)CO)C12 MOL21590
-CCN(CC)c1ccc2c(c1)Oc1ccc(N(CC)CC)cc1C21Oc2ccccc2-c2c1c1ccccc1n2CC MOL21591
-CCCCN(CCCC)C(=Nc1ccccc1)N(CCCC)CCCC MOL21592
-O=P(O)(OCC(O)O)OCC(O)O MOL21593
-Cn1c(NC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21 MOL21594
-O=C(Nc1nc2ccccc2n1Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL21595
-O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL21596
-N=c1[nH]c2ccccc2n1CC(=O)NC12CC3CC(CC(C3)C1)C2 MOL21597
-Cl.Cn1c(=N)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 MOL21598
-Cl.N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccccc1 MOL21599
-Cl.N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1Cc1ccc(Cl)cc1 MOL21600
-CC1c2c(Cl)nc3ccccc3c2Oc2c1c(Cl)nc1ccccc21 MOL21601
-CC(C)CC(=O)N1CCN(C(=O)CC(C)C)c2ccccc21 MOL21602
-Clc1ccccc1C1=NN(c2ccccc2)C2c3cc(Br)ccc3OCC12 MOL21603
-Clc1ccccc1C1=NN(c2ccccc2)C2c3ccccc3OCC12 MOL21604
-Clc1cccc2c1OCC1C(c3ccccc3)=NN(c3ccccc3)C21 MOL21605
-Clc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1 MOL21606
-Brc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1 MOL21607
-Clc1ccc(C2=NN(c3ccccc3)C3c4cc(Br)ccc4OCC23)cc1 MOL21608
-O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)C3c4cc(Br)ccc4OCC23)c1 MOL21609
-Cc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1 MOL21610
-O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)C3c4ccccc4OCC23)c1 MOL21611
-COc1ccc2c(c1)C1C(CO2)C(c2ccccc2)=NN1c1ccccc1 MOL21612
-Clc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1SC3O2 MOL21613
-Fc1ccc2c(c1)SC1Oc3ccccc3-c3c1c-2nn3-c1ccccc1 MOL21614
-Cc1ccc2c(c1)-c1c3c(nn1C)-c1ccccc1SC3O2 MOL21615
-COc1cccc2c1OC1Sc3ccccc3-c3nn(-c4ccccc4)c-2c31 MOL21616
-Cc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1SC3O2 MOL21617
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)COc2ccccc21 MOL21618
-O=C1C(=Cc2ccccc2Cl)COc2ccccc21 MOL21619
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)COc2ccc(Br)cc21 MOL21620
-O=C1C(=Cc2ccc(Cl)cc2)COc2ccc(Br)cc21 MOL21621
-O=C1C(=Cc2ccccc2Cl)COc2ccc(Br)cc21 MOL21622
-O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)COc2ccc(Cl)cc2)c2ccccc21 MOL21623
-Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)c3ccccc32)cc1 MOL21624
-Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O MOL21625
-O=C1c2cccc(O)c2C(=O)c2c(O)cccc21 MOL21626
-O=C1c2ccccc2C(=O)c2c(O)ccc(O)c21 MOL21627
-O=C1c2cccc(O)c2C(=O)c2cccc(O)c21 MOL21628
-CC1(Br)C(=O)NC(=O)N(C2CC(O)C(CO)O2)C1N=[N+]=[N-] MOL21629
-CC1(Cl)C(=O)NC(=O)N(C2CC(O)C(CO)O2)C1N=[N+]=[N-] MOL21630
-CC(=O)NC1C(O)OC(CO)C(O)C1OC(C)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(N)=O MOL21631
-CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O MOL21632
-CC(=O)NC1C(OCc2ccccc2)OC(COC(=O)CCCCCCCCCCNC(=O)CCNc2ccc([N+](=O)[O-])c3[nH]c4ccc(O)cc4c(=O)c23)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)O)C(N)=O)C(C)C MOL21633
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL21634
-CN1CCn2c(Br)ccc2C1=O MOL21635
-Nc1nc(N)c2ncn(C3OC(CO)CC3F)c2n1 MOL21636
-CCOC(=O)C=Cn1c2ccccc2c(=O)c2ccccc21 MOL21637
-O=C(O)C=Cn1c2ccccc2c(=O)c2ccccc21 MOL21638
-CCOC(=O)C=Cn1c2ccccc2c(=O)c2cc(OC)ccc21 MOL21639
-COc1ccc2c(c1)c(=O)c1ccccc1n2C=CC(=O)O MOL21640
-C#CC(C)(C)Oc1cc(O)c2c(=O)c3ccccc3n(C)c2c1 MOL21641
-O=c1c(O)cccc2cc(O)c(O)c(O)c12 MOL21642
-COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4.[ClH2+] MOL21643
-O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4 MOL21644
-COc1cc2c3c(ccc2cc1O)-c1cc(OC)c(OC)cc1C[N+]3(C)C.[Cl-] MOL21645
-CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4 MOL21646
-COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC.[Cl-] MOL21647
-C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.O=[N+]([O-])O MOL21648
-COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3 MOL21649
-COC(=O)C1=COC(C)C2C[n+]3ccc4c([n-]c5ccccc54)c3CC12.Cl MOL21650
-COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-] MOL21651
-CCOC(=O)c1sc2c(sc(=O)n2-c2ccccc2)c1O MOL21652
-CCC(C)C(NC=O)C(=O)NC1C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N2NCCCC2C(=O)NC(CC(C)C)C(=O)N2NCCCC2C(=O)OC1C MOL21653
-Oc1nnc(CNc2ccc(Cl)cc2Cl)c2ccccc12 MOL21654
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)C(N)CCC(=O)O.Cl MOL21655
-Cl.N=S(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] MOL21656
-CCCCC#C[I+]c1ccccc1.O=S(O)(=[OH+])C(F)(F)F MOL21657
-C[Si](C)(C)C#C[I+]c1ccccc1.O=S(O)(=[OH+])C(F)(F)F MOL21658
-C=C1CCC(O)C2(C)CCC(C(C)(C)O)C(OC3OC(CO)C(O)C(O)C3O)C12 MOL21659
-OC1=CN=COc2ccccc21 MOL21660
-CC1=NC=C(O)c2ccccc2O1 MOL21661
-OC1=CN=C(C2CC2)Oc2ccccc21 MOL21662
-OC1=CN=C(c2ccccc2)Oc2ccccc21 MOL21663
-O=c1[nH]c(=O)n2c3c1ncn3CC=CC2 MOL21664
-[N-]=[N+]=NC1OC(=O)C(Cl)=C1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL21665
-O=C1OC(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl MOL21666
-COc1cc(C)cc(C(=O)OCc2ccccc2)c1C1=C(Cl)C(=O)C(Cl)=CC1=O MOL21667
-O=C(O)C=Cc1ccc(Oc2ccccc2C(=O)O)o1 MOL21668
-CCc1cc(Cc2cc(CC)c(NC(=O)C(=O)Cc3ccccn3)c(CC)c2Cl)c(Cl)c(CC)c1NC(=O)C(=O)Cc1ccccn1 MOL21669
-O=C(Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1CC(=O)C(=O)Nc1cc(Cl)ccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl MOL21670
-Cc1ccc(S(=O)(=O)NN=c2c(C)c(C3=Nc4cc(Cl)c(S(N)(=O)=O)cc4S(=O)(O)=N3)oc3c(Cl)cc(Cl)cc23)cc1 MOL21671
-CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O MOL21672
-NC(=O)C(=NNC(=O)C[n+]1ccccc1)C1NC(=O)NC1=O.[Cl-] MOL21673
-O=C(Nc1cccc(C(F)(F)F)c1)C(=O)C1NC(=S)NC1=O MOL21674
-NC(=S)NN=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C1=NN(c2ccccc2)C(c2cccc([N+](=O)[O-])c2)CC1=O MOL21675
-COc1cccc(NC(=O)C(Cc2nc3ccccc3nc2C)=NNC(=O)C[n+]2ccccc2)c1.[Cl-] MOL21676
-CNN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1NC(=O)NC1=O MOL21677
-CCc1cc(Cc2cc(Cl)c(NC(=O)C(=O)C3NC(=O)NC3=O)c(CC)c2)cc(Cl)c1NC(=O)C(=O)C1NC(=O)NC1=O MOL21678
-Cc1ccc(NC(=O)C(=O)C(C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 MOL21679
-Cc1ccc(NC(=O)C(=NNC(=O)C[N+](C)(C)C)c2nc3ccccc3nc2O)cc1.[Cl-] MOL21680
-CCOc1ccc(N=C(NC(=O)c2ccccc2)SC)cc1.I MOL21681
-CCOc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2nnc(-c3ccc(Cl)c(Cl)c3)o2)nc1C MOL21682
-NC(=S)Nc1nnc(-c2ccc(-c3nnc(NC(N)=S)o3)cc2)o1 MOL21683
-CC1=NN(c2ccccc2)C(=O)C1C(=O)C(=O)Nc1ccc(C)cc1C MOL21684
-Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C MOL21685
-C[N+](C)(C)CC(=O)NN=C(C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)C(C#N)C1=NC(c2ccc([N+](=O)[O-])cc2)=[S+]C1.[Cl-] MOL21686
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(CC(=O)c1sc(C(N)=S)nc1C)=NN MOL21687
-Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] MOL21688
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2nc1O MOL21689
-COC(=O)C(=NN)C(C(=O)C(=O)Nc1n[nH]c(=S)[nH]1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL21690
-NC(=O)NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(Br)cc1 MOL21691
-COC(=O)C(C(=NNC(N)=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O MOL21692
-CCCCN(CC)C(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL21693
-Cc1cc(Cl)ccc1NC(=O)C(=NNC(C)(C)C)C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 MOL21694
-COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL21695
-COC(=O)C(=NNC(C)(C)C)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccccc2nc1O MOL21696
-O=C(Nc1ccc(Cl)cc1Cl)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL21697
-CCOc1ccccc1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O MOL21698
-Cc1cccc(C)c1NC(=O)C(=O)Nn1c(NN)nc2ccccc2c1=O MOL21699
-CC1=C(NC(=O)C(=O)NNC(=O)c2ccncc2)C(=O)c2ccccc2C1=O MOL21700
-NS(=O)(=O)c1cc2c(cc1Cl)N=C(C(=O)NNC(=O)c1ccncc1)N=S2(=O)O MOL21701
-Cc1cccc(NC(=O)C(=NN)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1C MOL21702
-COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1ccc(F)cc1 MOL21703
-CC(C)(C)NN=C(C(=O)Nc1cccc(Cl)c1)C1C(=O)Nc2ccccc2S1=O MOL21704
-NC(=O)NN=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] MOL21705
-CC(=O)c1cccc(NC(=O)C(=NNC(C)(C)C)c2c(O)c3ccccc3oc2=O)c1 MOL21706
-O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] MOL21707
-Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL21708
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL21709
-COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccncc1 MOL21710
-O=C(Nc1nc(=S)[nH][nH]1)C(=O)C1C(=O)Nc2ccccc2S1=O MOL21711
-O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1nc2ccccc2[nH]1 MOL21712
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C#N)c1nc2ccccc2nc1O MOL21713
-COC(=O)C(=NNC(C)(C)C)C(C(=O)OC)C(=O)C(=O)Nc1cc(Cl)ccc1Cl MOL21714
-COc1ccccc1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O MOL21715
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(C(C)=O)c1)c1nc2ccccc2nc1O MOL21716
-O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc2c(c1)OCO2 MOL21717
-CCc1cccc(CC)c1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2c(CC)cccc2CC)C1c1ccc2c(c1)OCO2 MOL21718
-NN=C(CC1OC(=O)c2ccccc21)c1ccco1 MOL21719
-NC(=O)NN=C(CC1OC(=O)c2ccccc21)c1ccco1 MOL21720
-O=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccco1 MOL21721
-COc1cc(C(O)C(=O)c2cnc3cc([N+](=O)[O-])ccc3n2)ccc1O MOL21722
-O=[N+]([O-])c1ccc(C(O)C(=NO)c2nc3ccc(Cl)cc3nc2O)cc1 MOL21723
-NC(=O)NN=C(CC1OC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 MOL21724
-CC(C(=NNc1ccccc1)c1ccc(O)cc1)C1C(=O)Oc2ccccc21 MOL21725
-Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc([N+](=O)[O-])cc3nc2O)C(O)c2ccccc2Cl)cc1 MOL21726
-O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccco3)c(O)nc2c1 MOL21727
-N=C(N)N=C(C=Cc1ccccc1)CC1OC(=O)c2ccccc21 MOL21728
-COc1ccc(C(=NNc2ccccc2)C(c2ccc(OC)cc2)C2OC(=O)c3ccccc32)cc1 MOL21729
-Cn1c(=O)cc2[nH]c3ccccc3n2c1=O MOL21730
-O=C1NC(=O)c2ccc([N+](=O)[O-])c3cccc1c23 MOL21731
-CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O MOL21732
-CC(=O)C=C1Nc2ccccc2-n2nnnc21 MOL21733
-CCOC(=O)C=C1Nc2ccccc2-n2nnnc21 MOL21734
-COC(=O)CCn1c(=N)[nH]c2c1c(=O)n(C)c(=O)n2C MOL21735
-COc1cc2c(c(OC)c1OC)C1CCCCCC1CCC2=O MOL21736
-c1ccc(CN2CCCCC(Sc3ccccc3)CC2)cc1 MOL21737
-N=C(N)c1ccc(C=Cc2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO MOL21738
-COc1cc(O)c2c(c1)cc(O)c1c(=O)cc(C)oc12 MOL21739
-COc1cc(OS(=O)(=O)O)c2c(c1)cc(O)c1c(=O)cc(C)oc12 MOL21740
-Cc1c(N(C)C)ccc2c(=O)c3cccc(CC(=O)O)c3oc12.[NaH] MOL21741
-C(C=CN1CCCC1)=Cc1nc(N2CCCC2)c2ccccc2n1 MOL21742
-Cc1ncc([N+](=O)[O-])n1CCNCCCn1ccnc1[N+](=O)[O-].Cl MOL21743
-Cl.O=[N+]([O-])c1cccc2nccc(NCC(O)CO)c12 MOL21744
-Cl.O=[N+]([O-])c1cccc2nccc(NCCN3CCOCC3)c12 MOL21745
-Cc1nc2c(C)ccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C.Cl MOL21746
-Cc1nc2cccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C.Cl MOL21747
-O=C(NCCCn1ccnc1[N+](=O)[O-])C(=O)NCCCn1ccnc1[N+](=O)[O-] MOL21748
-CC(C)OP(=O)(OC(C)C)C(C[Sn](C)(C)Cl)P(=O)(OC(C)C)OC(C)C MOL21749
-COc1cc(-c2c(C)c(C)nc(OC)c2C#N)cc(OC)c1OC MOL21750
-O=[N+]([O-])c1ccc(COc2cccc3cccnc23)cc1 MOL21751
-CC=CC(=O)Oc1cccc2cccnc12.Cl MOL21752
-O=C(C=Cc1ccccc1)Oc1cccc2cccnc12 MOL21753
-CCOc1cccc2cccnc12 MOL21754
-c1ccc(COc2cccc3cccnc23)cc1 MOL21755
-CCOc1cccc2ccc[n+](CC)c12.[I-] MOL21756
-[Cl-].c1ccc(COc2cccc3ccc[n+](Cc4ccccc4)c23)cc1 MOL21757
-O=C(OC1CCC(=C2SCCCS2)C1C1SCCCS1)c1ccccc1 MOL21758
-CN1N=C(Nc2ccccc2)Sc2c1cnn(-c1ccccc1)c2=O MOL21759
-O=C(c1ccccc1)N1CCN2CCN=C(c3ccccc3)C21c1ccccc1 MOL21760
-CCOC(=O)C12C(C)=CC(=O)OC1(C)C1C(=O)NC(=O)C12 MOL21761
-CCOC(=O)C12C(C)=CC(=O)OC1(C)CC2C#N MOL21762
-CCOC(=O)C1=C(C)C2C3C(=O)NC(=O)C3C1(C)C1C(=O)NC(=O)C21 MOL21763
-CCOC(=O)C1=C(C)C2C3C(=O)OC(=O)C3C1(C)C1C(=O)OC(=O)C21 MOL21764
-O=C(O)Cc1cccc2c1Oc1ccccc1S2.[NaH] MOL21765
-CC1CCCN(N=Nc2ccc(C(O)(C(=O)OC3CN4CCC3CC4)c3ccccc3)cc2)C1 MOL21766
-CC1CCCN(N=Nc2ccc(C(O)(C(=O)OC3CN4CCC3CC4)c3ccccc3)cc2)C1 MOL21767
-O=c1ccn(C2OC(CO)C(F)C2F)c(=O)[nH]1 MOL21768
-N=c1ccn(C2OC(CO)C(F)C2F)c(=O)[nH]1 MOL21769
-Nc1nc(O)c2ccn(C3C=CC(CO)C3)c2n1 MOL21770
-O=S(=O)(O)c1cccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)c1.[NaH] MOL21771
-O=C(O)c1cc(O)c2ccc(N=Nc3ccc(C=Cc4ccc(N=Nc5ccc6c(O)cc(C(=O)O)nc6c5O)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)c(O)c2n1.[NaH] MOL21772
-O=C(O)c1cc(CNc2ccc(C=Cc3ccc(NCc4ccc(O)c(C(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1O.[NaH] MOL21773
-CC(=NNS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2n1C MOL21774
-CN(C)C(=O)CC(C(=O)O)c1c[nH]c2ccccc12 MOL21775
-COc1cc(C(C)O)c[n+](CCc2c[nH]c3ccccc23)c1.[Br-] MOL21776
-Cn1cc(C(=O)C[n+]2ccccc2)c2ccccc21.[I-] MOL21777
-CCC12C=CC[N+]3(CCc4c([nH]c5ccccc45)C3C1)C2.[O-][MgH] MOL21778
-CCC12CCCN(C1)C(=O)Cc1c([nH]c3ccccc13)C(=O)C2 MOL21779
-CC=C1C=C(OC)CN(CCc2c[nH]c3ccccc23)C1 MOL21780
-COc1cc(C(C)O)c[n+](CCC2CNc3ccccc32)c1.[Br-] MOL21781
-CCC12C=CCN(CCc3c([nH]c4ccccc34)C=C1)C2 MOL21782
-CC(C)CC1=CC(=O)CN(CCc2c[nH]c3ccccc23)C1 MOL21783
-CCN(N=C1CC2C=CCN(C2)C(=O)Cc2c1[nH]c1ccccc21)S(=O)(=O)c1ccc(C)cc1 MOL21784
-CCC12C=CCN(C1)C(=O)Cc1c([nH]c3ccccc13)C(=NNC(=O)OC)C2 MOL21785
-CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32 MOL21786
-CCC1(CC(=O)N(C)C)CCCN(C(=O)Oc2ccccc2)C1 MOL21787
-CCC1(CC(=O)N(C)C)C=CCN(C(=O)Oc2ccccc2)C1 MOL21788
-CCOC(=O)C(=O)C1C(=O)Nc2ccccc21 MOL21789
-C[N+](C)(C)Cc1c(CC#N)[nH]c2ccccc12.[I-] MOL21790
-COC(=O)c1cc(CNCCc2c[nH]c3ccccc23)on1 MOL21791
-CCOC(=CC(=O)OC)NCCc1c[nH]c2ccccc12 MOL21792
-CCC12CCCN(CCBr)C1c1c(n(C)c3ccccc13)C(C(=O)OC)C2 MOL21793
-O=C(c1cc2c(C(F)(F)F)onc2c2ccccc12)C(F)(F)F MOL21794
-COc1ccc2c(c1)C(O)(C(F)(F)F)c1cc(C(=O)C(F)(F)F)c3ccccc3c1N2 MOL21795
-C=CCOc1cc(NC(=S)c2sccc2C)ccc1Cl MOL21796
-C=CCON=Cc1cc(NC(=S)c2ccoc2C)ccc1Cl MOL21797
-Cc1ccsc1C(=S)Nc1ccc(Cl)c(C=NOC(C)C)c1 MOL21798
-Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)C2CC2)c1 MOL21799
-c1ccc2c(c1)oc1ccc3nsnc3c12 MOL21800
-CCOC(=O)c1c2ccc(C=Cc3ccccc3)ccc-2c(C(=O)OCC)c1N MOL21801
-CCOC(=O)c1c2ccc(C=Cc3ccccn3)ccc-2c(C(=O)OCC)c1N MOL21802
-CCOC(=O)c1c2ccc(C=CC(=O)OC)ccc-2c(C(=O)OCC)c1N MOL21803
-O=C1CCC(Cl)=CC2CCCN12 MOL21804
-CC1C=CC(Sc2ccccc2)CCC1(C)O MOL21805
-NNC(Cc1ccccc1)=NNO MOL21806
-Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc(Cl)cc3nc2O)C(O)c2ccco2)cc1 MOL21807
-O=C(NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccccc1Cl)c1ccncc1 MOL21808
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc(Cl)cc2)=NNC(=O)C[N+](C)(C)C)s1.[Cl-] MOL21809
-Cc1ccc(S(=O)(=O)NN=C(c2nc3ccc(Cl)cc3nc2O)C(O)c2cccc([N+](=O)[O-])c2)cc1 MOL21810
-COc1ccc(NC(=O)C(=O)c2c(O)c3ccc(O)cc3oc2=O)c([N+](=O)[O-])c1 MOL21811
-CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL21812
-COC(=O)c1ccccc1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL21813
-O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1ccccc1[N+](=O)[O-] MOL21814
-COc1ccc(NC(=O)C(=O)Cc2nc3ccc([N+](=O)[O-])cc3nc2O)c(OC)c1 MOL21815
-CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)Cc1nc2ccc([N+](=O)[O-])cc2nc1O MOL21816
-Nc1ccccc1C(=O)CCC1C(=O)NC(=S)NC1=O MOL21817
-O=C(Nc1ccccc1[N+](=O)[O-])C(=NNc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O MOL21818
-Cc1cccc(C(C)C)c1NC(=O)C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])=NNC(=O)CC#N MOL21819
-O=C(CC(=O)C(=O)Nc1ccccc1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL21820
-CC1(C)CC(=O)C(CC2C(=O)CCCC2=O)C(=O)C1 MOL21821
-CC1(C)CC(=O)C(CC2C(=O)c3ccccc3C2=O)C(=O)C1 MOL21822
-Cc1cc(S(=O)(=O)O)c(NC(=O)C(=O)Cc2cc(=O)oc3cc(O)ccc23)cc1Cl MOL21823
-O=C(CCC1C(=O)NC(=S)NC1=O)c1ccc2ccccc2c1 MOL21824
-CC(C)c1cccc(C(C)C)c1NC(=O)C(Cc1nc2ccc(Cl)cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL21825
-O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=NNc1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O MOL21826
-C[N+](C)(C)CC(=O)NN=C(Cc1nc2ccc(Cl)cc2nc1O)C1=Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(O)=N1.[Cl-] MOL21827
-Cc1c(Cl)cccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O MOL21828
-COc1ccc(C(=O)C(CC2C(=O)NC(=O)NC2=O)c2ccc(OC)cc2)cc1 MOL21829
-COC(=O)C(=NNc1cccc(Cl)c1)C(C(=O)C(=O)Nc1cccc(Cl)c1C)c1nc2ccccc2nc1C MOL21830
-Cc1ccccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O MOL21831
-CCOc1ccccc1NC(=O)C(=O)c1c(O)c2ccc(O)cc2oc1=O MOL21832
-O=C1NC(=O)C(CCC(=O)c2ccc3ccccc3c2)C(=O)N1 MOL21833
-C[N+](C)(C)CC(=O)NN=C(Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O)C(=O)Nc1ccc(Cl)c(Cl)c1.[Cl-] MOL21834
-COC(=O)NN=c1cc(C(=O)Nc2ccc(C)c(C)c2)oc2cc(O)ccc12 MOL21835
-C[N+](C)(C)CC(=O)NN=C(Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccc(Cl)cc1.[Cl-] MOL21836
-C[N+](C)(C)CC(=O)NN=c1cc(C(=O)Nc2ccc(N=O)cc2C#N)oc2cc(O)ccc12.[Cl-] MOL21837
-C[N+](C)(C)CC(=O)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.[Cl-] MOL21838
-O=C(CC(=NNC(=O)C[n+]1ccccc1)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.[Cl-] MOL21839
-CN(C)N=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(C(O)C(=NN(C)C)c2nc3ccc(Cl)cc3nc2O)cc1 MOL21840
-O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccc(C(O)C(=NNc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 MOL21841
-CN(C)NC1=C([N+](=O)[O-])C=NN(c2ccccc2)C1 MOL21842
-CC(=NNC(=O)C[N+](C)(C)C)C(CN(C)C)C(=O)Nc1ccccc1.[Cl-] MOL21843
-CCOc1ccc(-c2oc(C=NNS(=O)(=O)c3ccc(C)cc3)c([N+](=O)[O-])c2-c2ccc(OCC)cc2)cc1 MOL21844
-Cc1ccc(S(=O)(=O)NN=Cc2oc(-c3ccncc3)c(-c3ccncc3)c2[N+](=O)[O-])cc1 MOL21845
-Cc1ccc(S(=O)(=O)NN=Cc2oc(-c3ccccc3Cl)c(-c3ccccc3Cl)c2[N+](=O)[O-])cc1 MOL21846
-N=C(N)NN=Cc1oc(-c2ccc(S(=O)(=O)O)o2)c(-c2ccc(S(=O)(=O)O)o2)c1[N+](=O)[O-] MOL21847
-CC(=NN(C=O)C[n+]1ccccc1)C(CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C.[Cl-] MOL21848
-CC(=NNC(N)=S)C(CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C MOL21849
-O=[N+]([O-])C(C=NNc1ccccc1)C=NNc1ccccc1 MOL21850
-CC(=NNC(=O)C[n+]1ccccc1)C(CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C.[Cl-] MOL21851
-CC(=NNC(=N)N)C(CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C MOL21852
-C[N+](C)(C)CC(=O)NC(=O)NN=CC(CC#N)CN(Cc1ccccc1)Cc1ccccc1.[Cl-] MOL21853
-C[N+](C)(C)CC(=O)NN=Cc1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-].[Cl-] MOL21854
-COc1cccc2nc3cc(C)c(C)cc3nc12 MOL21855
-COc1ccc(Br)c2c1CC(C(=O)O)CC2 MOL21856
-Oc1cccc2nc3cc(CN4CCOCC4)c(CN4CCOCC4)cc3nc12 MOL21857
-COc1c2c(cc3nc4ccccc4nc13)CCC(C(C)(C)O)C2 MOL21858
-CCOC(=O)CC1(C(=O)OCC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1 MOL21859
-COC(=O)CC1CC2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O MOL21860
-CCOC(=O)C1C(=O)CN2CCc3c([nH]c4ccccc34)C12C(=O)OCC MOL21861
-COC(=O)C1(C)NCCc2c1[nH]c1ccccc21 MOL21862
-CCOC(=O)C12C(C(=O)O)=C(N)CN1CCc1c2[nH]c2ccccc12 MOL21863
-COC(=O)C1(C2CCOC2=O)NCCc2c1[nH]c1ccccc21 MOL21864
-CCOC(=O)C1C(=NN)CN2CCc3c([nH]c4ccccc34)C12C(=O)OCC MOL21865
-COC(=O)C1(CC(=O)OC(C)(C)C)NCCc2c1[nH]c1ccccc21 MOL21866
-COC(=O)C1(CC(=O)OCc2ccccc2)NCCc2c1[nH]c1ccccc21 MOL21867
-COC(=O)C12c3[nH]c4ccccc4c3CCN1CC(=O)C2C(=O)OCc1ccccc1 MOL21868
-C=CCC(C(=O)OC)C1(C(=O)OC)NCCc2c1[nH]c1ccccc21 MOL21869
-CC(O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1 MOL21870
-C=CCC(C(=O)OCC)C1NCCc2c1[nH]c1ccccc21 MOL21871
-C=CCC1C(=O)C(C(=O)OC)N2CCc3c([nH]c4ccccc34)C12 MOL21872
-CCOC(=O)C12c3[nH]c4ccccc4c3CCN1CC1=NOC(=O)C12 MOL21873
-C=CCC(C(=O)OC)C1(C(=O)OC)c2[nH]c3ccccc3c2CCN1Cc1ccccc1 MOL21874
-CCOC(=O)C1C(=O)C(=O)N2CCc3c([nH]c4ccccc34)C12 MOL21875
-CCOC(=O)C1C(=O)CN2CCc3c([nH]c4ccccc34)C12 MOL21876
-O=C(CC(=O)C(=O)CC(=O)OCc1ccccc1)OCc1ccccc1 MOL21877
-COC(=O)CC(CC(=O)C(=O)OC)C(=O)OC MOL21878
-CN1CCOC(c2ccccc2)O1 MOL21879
-Oc1nccc(CNC23CC4CC(CC(C4)C2)C3)c1O.[NaH] MOL21880
-COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CC(N)C(=O)O.Cl MOL21881
-CCN(CC)Cc1c(C=Cc2cc(OC)c(OC)c(OC)c2)ccc(OC)c1O.Cl MOL21882
-NC(=S)NNC(=O)C(=Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NNC(N)=S)cc1)NC(=O)c1ccccc1 MOL21883
-COC(=O)NN=Cc1oc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] MOL21884
-COC(=O)NN=CC(=CNc1ccccc1)[N+](=O)[O-] MOL21885
-NC(=O)NN=CC(=CNc1ccccc1)[N+](=O)[O-] MOL21886
-COc1cc(-c2cc(-c3cc([N+](=O)[O-])c(C=NNC(=O)c4ccncc4)o3)ccc2OC)ccc1C MOL21887
-CC1(C)C(=NNC(=S)NN)C(C)(C)C1=NNC(=S)NN MOL21888
-CN(C)CC(C(Cc1ccccc1)=NNC(=O)c1ccncc1)c1ccccc1 MOL21889
-NNC(=S)NN=CC(=CNc1ccccc1)[N+](=O)[O-] MOL21890
-Cc1ccc(S(=O)(=O)NN=Cc2oc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c2[N+](=O)[O-])cc1 MOL21891
-O=[N+]([O-])c1c(C=NNc2ccccc2)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2 MOL21892
-NC(=S)NN=CC(=CNc1ccccc1)[N+](=O)[O-] MOL21893
-COc1ccc(-c2oc(C=NNC(N)=S)c([N+](=O)[O-])c2-c2ccc(OC)c(OC)c2)cc1OC MOL21894
-C=C(C[N+](C)(C)C)NN=Cc1oc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)c1[N+](=O)[O-].[Cl-] MOL21895
-NC(=O)NN=CC(C=NNC(N)=O)[N+](=O)[O-] MOL21896
-C[N+](C)(C)CC(=O)NN=Cc1oc(-c2c(O)ccc3ccccc23)c(-c2c(O)ccc3ccccc23)c1[N+](=O)[O-].[Cl-] MOL21897
-O=C(NN=Cc1cc(-c2ccccc2Cl)c(-c2ccccc2Cl)o1)c1ccncc1 MOL21898
-CC(=NNC(N)=S)C(CN1CCOCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl MOL21899
-CC(=NNC(=N)N)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21900
-CCCCN(CCCC)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL21901
-CC(=NN)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21902
-CC(=O)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21903
-NS(=O)(=O)c1ccccc1C(=O)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1 MOL21904
-O=C(Cc1ccccc1)NN=C(C1=Nc2ccc([N+](=O)[O-])cc2NC1O)C(O)c1ccc([N+](=O)[O-])cc1 MOL21905
-CC(=NNC(=N)N)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21906
-CC(=NNS(=O)(=O)c1ccc(C)cc1)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21907
-Cl.NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL21908
-CC(=NO)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21909
-C=CCN(CC=C)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21910
-O=C(Cc1ccccc1)NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(C(O)C(=NNC(=O)Cc2ccccc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL21911
-N=S(=O)(c1ccccc1)c1ccccc1[N+](=O)[O-] MOL21912
-O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4c2c(O)cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O MOL21913
-CCCCn1c(-c2ccccc2)csc1=NNC(=O)Cn1c(C)nc2ccccc21 MOL21914
-O=C(O)c1ccc(-c2ccc(-c3cc(=S)sc(=O)[nH]3)cc2)cc1 MOL21915
-CC1(c2ccc[n+](Cc3ccccc3)c2)OCCO1.[BrH2+] MOL21916
-COc1cc(C(C)O)c[n+](Cc2ccccc2)c1.[ClH2+] MOL21917
-Cc1ccc(S(=O)(=O)N(C=O)N=C2CCN(Cc3ccccc3)CC2)cc1 MOL21918
-C1=CC2C=Cc3[nH]c4ccccc4c3CCN(C1)C2 MOL21919
-C=C(Br)N(CC)CC MOL21920
-COC(=O)C1CC(=O)CCC1c1ccccc1 MOL21921
-O=C1CCC(c2ccccc2)C(O)(C(=O)O)C1 MOL21922
-COC(=O)C1=CC(O)CCC1c1ccc(OC)cc1 MOL21923
-COc1ccc(C2CCC(Cl)(OC)CC2C=O)cc1 MOL21924
-COC(=O)C1(O)CC(=O)CCC1c1ccc(OC)cc1 MOL21925
-COc1ccc2c(c1)C(=O)C1CC(=O)CCC21 MOL21926
-C=CCC12CC(=O)CCC1c1ccc(OC)cc1C2=O MOL21927
-C=C(Br)CC12CC3(CCC1c1ccc(OC)cc1C2=O)OCCO3 MOL21928
-COC(=O)C1CC23CC1(OC(C)=O)CCC2c1ccc(OC)cc1C3=O MOL21929
-COc1ccc2c(c1)C(=O)C13CC(C(=O)O)C(OC(C)=O)(CCC21)C3 MOL21930
-COc1ccc2c(c1)C(=O)C13CC(C(=O)OCc4ccccc4)C(OC(C)=O)(CCC21)C3 MOL21931
-CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL21932
-COc1cc(C=O)c(-c2cc(OC)c(OC)cc2C=O)cc1OC MOL21933
-O=c1ccc2ccccc2c2ccccc12 MOL21934
-O=Cc1cc(O)c(O)c(O)c1-c1c(C=O)cc(O)c(O)c1O MOL21935
-O=C1CC(Br)=Cc2ccccc2-c2ccccc21 MOL21936
-Brc1cc2c(cc1C1SCCS1)OCO2 MOL21937
-ON=Cc1cc2c(cc1Br)OCO2 MOL21938
-CC1(C)COC(c2cc3c(cc2Br)OCO3)=N1 MOL21939
-Ic1cc2c(cc1C1SCCCS1)OCO2 MOL21940
-O=Cc1ccc2c(c1I)OCO2 MOL21941
-O=Cc1ccc2c(c1-c1c(C=O)ccc3c1OCO3)OCO2 MOL21942
-Oc1cc(C2OCCCO2)cc(O)c1O MOL21943
-O=Cc1cc2c(cc1-c1cc3c(cc1C=O)OCO3)OCO2 MOL21944
-COc1cc(C2(C)SCCCS2)cc(OC)c1OC MOL21945
-CON=Cc1cc(OC)c(OC)c(OC)c1 MOL21946
-CCOC(=O)C(I)=Cc1cc(OC)c(OC)c(OC)c1 MOL21947
-COc1cc(C2(C)SCCCS2)c(I)c(OC)c1OC MOL21948
-COc1cc(C=C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL21949
-COc1cc(C=O)c(-c2c(C=O)ccc3c2OCO3)c(OC)c1OC MOL21950
-COc1cc(C(=O)O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC MOL21951
-COC(=O)c1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C=O)OCO2 MOL21952
-CCOC=Cc1cc2c(c3c1-c1c(cc(OC)c(OC)c1OC)C3=O)OCO2 MOL21953
-COC(=O)C=Cc1cc2c(cc1-c1c(C(=O)O)cc(OC)c(OC)c1OC)OCO2 MOL21954
-O=Cc1cc2c(cc1-c1c(C=O)ccc3c1OCO3)OCO2 MOL21955
-COC(=O)C1CCCC2(C1)OCCO2 MOL21956
-C=CCC1(C(=O)OC)CCCC(=NO)C1 MOL21957
-C=C1CC2CCCC12C=O MOL21958
-COc1ccc2c(c1)CCC1C3(CCCC21C=O)OCCO3 MOL21959
-COc1ccc2c(c1)CCC1=CC3(CCC12C)SCCS3 MOL21960
-CC1(C(=O)O)CCCC2(C)C3CCC4(C=C3CCC12)SCCS4 MOL21961
-COc1ccc2c(c1)CCC1C3(CCCC21C)OCCO3 MOL21962
-CC12CCCC(O)C1CCC1=CC3(CCC12)SCCS3 MOL21963
-COc1ccc2c(c1)CCC1=CC(=NNC(N)=O)CCC12C MOL21964
-COC(=O)C1(C)CCCC2(C)C3=C(CCC12)CC1(CC3)SCCS1 MOL21965
-O=C(c1ccco1)[N+]1=Cc2[nH]c3ccccc3c2CC1 MOL21966
-COC1C=CC(C(=O)[N+]2=Cc3[nH]c4ccccc4c3CC2)O1 MOL21967
-CCOC(=O)C1NCCc2c1[nH]c1ccccc21.Cl MOL21968
-COC(=O)c1ccc(CN2CCc3c([nH]c4ccccc34)C2CO)o1 MOL21969
-CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccco1 MOL21970
-COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2C(=O)O)o1 MOL21971
-COc1cc2c(o1)C(=O)N1CCc3c([nH]c4ccccc34)C21 MOL21972
-CCOC(=O)C1c2[nH]c3ccccc3c2CCN1C(=O)c1ccc(OC)o1 MOL21973
-c1ccc2c3c([nH]c2c1)C1CCCN1CC3 MOL21974
-Cn1c2c(c3ccccc31)CCN1C(=O)CCC21 MOL21975
-COc1ccc2c(c1)CCc1[nH]c3ccccc3c1CCCC2 MOL21976
-O=C1C=C2CC3c4[nH]c5ccccc5c4CCN3CC2CC1 MOL21977
-COC(=O)C(CC1CC(OC(C)=O)c2[nH]c3ccccc3c2CCN(C(C)=O)C1)C(=O)OC MOL21978
-Cc1ccc2c(c1)SC(c1cc3c(cc1Br)OCO3)S2 MOL21979
-COC(=O)C1=C(C(=O)OC)C2(OC(C)=O)c3ccccc3-c3ccccc3C12 MOL21980
-COC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O MOL21981
-CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2C(=O)O MOL21982
-CC(=O)OC12c3ccccc3-c3ccccc3C1C(C(=O)O)C2(Cl)C(=O)O MOL21983
-COC(=O)C1C(C(=O)OC)C2(OC)c3ccccc3-c3ccccc3C12 MOL21984
-COC(=O)C1C2c3ccccc3-c3ccccc3C2(OC(C)=O)C1(Cl)C(=O)OC MOL21985
-COC(=O)C1C2c3ccccc3-c3ccccc3C2(OC(C)=O)C1(Cl)C(=O)OC MOL21986
-COC12c3ccccc3-c3ccccc3C1C1C(=O)OC(=O)C12 MOL21987
-CC(=O)OC12c3ccccc3-c3ccccc3C1C1C(=O)OC(=O)C12 MOL21988
-CC(=O)OC12c3ccccc3-c3ccccc3C1C1C(=O)N(C)C(=O)C12Cl MOL21989
-CCC12CCCN(Cc3ccccc3)C1c1c([nH]c3ccccc13)C(C(=O)OC)C2.Cl MOL21990
-CC(=O)C(CN(CC(C)C)CC(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21991
-CC(=NNC(=O)c1ccccc1S(N)(=O)=O)C(CN1CCCCC1)C(C1=C(O)C2C=CC=CC2OC1=O)c1ccccc1.Cl MOL21992
-Cl.O=c1oc2ccccc2c(O)c1C(CC(CCN1CCCC1)=NO)c1ccccc1 MOL21993
-Cc1ccc(S(=O)(=O)NN=C(CCN2CCCC2)CC(c2ccccc2)c2c(O)c3ccccc3oc2=O)cc1.Cl MOL21994
-CC(=NNc1ccccc1)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21995
-CC(=NO)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21996
-CN(C)N=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21997
-Cl.N=C(N)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL21998
-COC(=O)NN=C(C)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL21999
-CC(=O)C(CN(C)Cc1ccccc1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22000
-CC(=O)C(CN(Cc1ccccc1)Cc1ccccc1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22001
-CNN=C(C)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl MOL22002
-CC(=NNS(=O)(=O)c1ccc(C)cc1)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22003
-Cl.NC(=S)NN=C(CCN1CCCC1)CC(C1=C(O)C2=CCCCC2OC1=O)c1ccccc1 MOL22004
-CC(=NNC(=N)N)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22005
-CCCCN(CC)CC(C(C)=O)c1c(O)c2ccccc2oc1=O.Cl MOL22006
-CCN(CC)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22007
-Cl.O=C(NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)c1ccncc1 MOL22008
-CC(=NNC(N)=O)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22009
-Cl.O=c1oc2ccccc2c(O)c1C(CC(CCN1CCCC1)=NNc1ccccc1)c1ccccc1 MOL22010
-CNN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22011
-CC(=NNS(=O)(=O)c1ccc(C)cc1)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22012
-CC1CCN(CCC(=O)CC(c2ccccc2)c2c(O)c3ccccc3oc2=O)CC1.Cl MOL22013
-CCCCN(C)CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22014
-CC(=O)C(CN(C(C)C)C(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22015
-CC(=NN(C)C)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22016
-COC(=O)NN=C(C)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl MOL22017
-COC(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22018
-CC(=NNC(N)=S)C(CN(C)C)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl MOL22019
-CCC1CCCCN1CC(C(C)=O)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22020
-Cl.N=S(c1ccccc1)c1ccccc1[N+](=O)[O-] MOL22021
-CC=C1CN(C)CC2(C(=O)OC)Cc3c(n(OC)c4ccccc34)C(=O)CC12 MOL22022
-CC=C1CN(C)CC2Cc3c(n(OC)c4ccccc34)C(=O)CC12 MOL22023
-O=c1[nH]c2cc(-c3ccccc3)nc-2nn1-c1c(Cl)cc(Cl)cc1Cl MOL22024
-CN1c2ccccc2C23CCN4CC=CC5(CCC12CC5)C43 MOL22025
-Cl.NC1(CCCCCCCCCCC(=O)O)CNCCNCCNCCNC1 MOL22026
-COC(=O)C(=Cc1ccc(OC)cc1)C(C(=O)O)=C(C)C MOL22027
-COC(=O)C(=Cc1ccc(OC)cc1)C(C(=O)O)=C1CCCCC1 MOL22028
-COC(=O)C(=Cc1ccc(OC)cc1)C(C(=O)O)=C1CCCC1 MOL22029
-COC(=O)C(=Cc1ccc(OC)cc1)C(C(=O)O)=C(C)c1ccccc1 MOL22030
-COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc2c1=O MOL22031
-CC(=O)OCSc1ncnc2c1ncn2CN1CCOCC1 MOL22032
-CCOC(=O)c1cc2c(nc1N)-c1ncccc1CC2 MOL22033
-NCCCNCCS MOL22034
-NCCS MOL22035
-NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O MOL22036
-NC(CS)C(=O)O MOL22037
-Cc1nc2cc3[nH]c4ccccc4c(=O)c3cc2s1 MOL22038
-O=C(O)C12C=CC(C1)c1ccccc12 MOL22039
-OCC12C=CC(C1)c1ccccc12 MOL22040
-CC(=O)OCC12CC(CC1OC(C)=O)c1ccccc12 MOL22041
-COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1C2C2CC1(C(=O)O)c1ccccc12 MOL22042
-COC(=O)C(Br)C1CCc2ccccc21 MOL22043
-Cc1ccc(S(=O)(=O)OCC23CCC(C4CC42)C2CC23)cc1 MOL22044
-COC(=O)C1=CC2CC1C(S(=O)(=O)c1ccccc1)C2S(=O)(=O)c1ccccc1 MOL22045
-Cc1ccc(S(=O)(=O)OCC23CCC(C2)C2CC23)cc1 MOL22046
-Cc1ccc(S(=O)(=O)OCC23CCC(CC2)C2CC23)cc1 MOL22047
-Cc1ccc(S(=O)(=O)NN=C2C(=O)C3CC2C(Cl)C3Cl)cc1 MOL22048
-COC(=O)C12CC(C3CC31)C1CC12 MOL22049
-CCOC(=O)C1C2CCC(C2)C1(CCl)C(=O)OCC MOL22050
-CCOC(=O)C12CC1(C(=O)OCC)C1CCC2C1 MOL22051
-CCCCCCCCOCC(O)COC MOL22052
-CCCCCCCCOCC(O)COC(C)C MOL22053
-CCCCCCCCOC(CO)CO MOL22054
-CCCCCCCCOCC(CO)OCCCCCCCC MOL22055
-CCCCCCCCOCC(O)COC(=O)CCCCCCC MOL22056
-CCCCCCCCOCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC MOL22057
-CCCCCCCC(=O)OC(CBr)COC(=O)C(C)(C)C MOL22058
-CCCCCCCC(=O)OCC(COC(=O)C(C)(C)C)OC(=O)Cc1ccccc1 MOL22059
-CCCCCCCC(=O)OC(COC(=O)Cc1ccccc1)COC(=O)C(C)(C)C MOL22060
-CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC MOL22061
-O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccccc3Cl)c(O)nc2c1 MOL22062
-O=C1Nc2cc([N+](=O)[O-])ccc2NC1C(=NNc1ccccc1)C(O)c1cccc([N+](=O)[O-])c1 MOL22063
-O=C(c1nc2ccccc2nc1O)C(O)c1ccco1 MOL22064
-CC(=NN)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22065
-CC(=NN)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22066
-Cl.N#CCC(=O)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL22067
-CC(=NN(C)C)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22068
-NN=C(c1nc2ccc(Cl)cc2nc1O)C(O)c1ccc(Cl)c(Cl)c1 MOL22069
-Cc1ccc(C(O)C(=NN)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL22070
-O=[N+]([O-])c1ccc2nc(C(=NNc3ccccc3)C(O)c3ccc4c(c3)OCO4)c(O)nc2c1 MOL22071
-Cl.O=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL22072
-O=[N+]([O-])c1ccc2nc(O)c(C(=NNc3ccccc3)C(O)c3ccco3)nc2c1 MOL22073
-Oc1nc2cc(Cl)ccc2nc1C(=NNc1ccccc1)C(O)c1ccc(Cl)c(Cl)c1 MOL22074
-CC(=NNC(N)=O)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22075
-CC(=NNC(N)=S)C(CN1CCCCC1)C(C1=C(O)c2ccccc2OC1)c1ccccc1.Cl MOL22076
-CNN=C(C)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL22077
-CC(=O)Nc1ccc(C(O)C(=NN)c2nc3ccc(Cl)cc3nc2O)cc1 MOL22078
-Oc1nc2cc(Cl)ccc2nc1C(=NNc1ccccc1)C(O)c1ccc2c(c1)OCO2 MOL22079
-NN=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc(Cl)c(Cl)c1 MOL22080
-CC(=O)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22081
-Oc1nc2cc(Cl)ccc2nc1C(=NNc1ccccc1)C(O)c1ccco1 MOL22082
-CC(=O)C(CN1CCOCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22083
-COC(=O)NN=C(C)C(CN1CCOCC1)C(c1ccccc1)c1cc2ccccc2oc1=O.Cl MOL22084
-CC(=NNC(=O)CC#N)C(CN1CCCCC1)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22085
-Cl.O=C(Cc1ccccc1)NN=C(CCN1CCCC1)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL22086
-CC(=NNC(N)=O)C(CN(C)C)C(c1ccccc1)c1c(O)c2ccccc2oc1=O.Cl MOL22087
-COc1ccc(C(O)C(=NN)c2nc3ccc(Cl)cc3nc2O)cc1 MOL22088
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc3c(c2)OCO3)=NNC(=O)c2ccncc2)s1 MOL22089
-COc1cc(C=CC(=NNC(N)=S)c2sc(NNC(C)=O)nc2C)ccc1O MOL22090
-COc1ccc(C(CC2OC(=O)c3ccccc32)=NNC(N)=O)cc1 MOL22091
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc([N+](=O)[O-])cc2)=NN)s1 MOL22092
-COc1ccc(C(CC2OC(=O)c3ccccc32)=NNC(=O)C[N+](C)(C)C)cc1.[Cl-] MOL22093
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc3c(c2)OCO3)=NNc2ccccc2)s1 MOL22094
-CC(=O)NNc1nc(C)c(C(C=Cc2ccccc2O)=NNC(=N)N)s1 MOL22095
-CC(=O)NNc1nc(C)c(C(C=Cc2cccc([N+](=O)[O-])c2)=NNC(=S)NN)s1 MOL22096
-COc1cc(C=CC(=NNS(=O)(=O)c2ccc(C)cc2)c2sc(NNC(C)=O)nc2C)ccc1O MOL22097
-CC(=O)NNc1nc(C)c(C(C=Cc2ccccc2O)=NNC(=O)c2ccncc2)s1 MOL22098
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc(NC(C)=O)cc2)=NNS(=O)(=O)c2ccc(C)cc2)s1 MOL22099
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc([N+](=O)[O-])cc2)=NNC(N)=S)s1 MOL22100
-O=C1Oc2ccccc2C1CC(=NNc1ccccc1)c1ccccc1O MOL22101
-C[N+](C)(C)CC(=O)NN=C(CC1OC(=O)c2ccccc21)c1ccccc1O.[Cl-] MOL22102
-CCn1cc[n+]([Pt-2]([I-])([I-])[n+]2ccn(CC)c2)c1 MOL22103
-CCOC(=O)CN=c1nc(SC)sc2c(C(=O)OCC)nc(Sc3ccccc3)n12 MOL22104
-Cc1ccc2c(c1)C1(OC(=O)c3ccccc31)c1ccc(F)cc1O2 MOL22105
-CSCCC(NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C)C(N)=O MOL22106
-COc1cc2c(cc1OC)C(O)C(Br)C(C)(C)O2 MOL22107
-COC(=O)CC12CC(CC(=O)O1)N(C(=O)Nc1ccccc1)O2 MOL22108
-CCOC1N(C2CC(N=[N+]=[NH2+])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL22109
-CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL22110
-COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Br MOL22111
-COC1N(C2CC(F)C(CO)O2)C(=O)NC(=O)C1(C)Br MOL22112
-CCOC1N(C2C=CC(CO)O2)C(=O)NC(=O)C1(C)Br MOL22113
-COC1(C)C(=O)NC(=O)N(C2C=CC(CO)O2)C1O MOL22114
-O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Nc1ccccc1 MOL22115
-CCOC(=O)c1c(NNc2ccccc2)nc2ccccc2c1-c1ccccc1 MOL22116
-CCOC(=O)c1c(C=NNc2ccccc2)nc2ccccc2c1-c1ccccc1 MOL22117
-O=c1c2c(-c3ccccc3)c3ccccc3nc2cnn1-c1ccccc1 MOL22118
-Cc1c2cc(Cl)ccc2n2c(=O)c3ccccc3[nH]c(=O)c12 MOL22119
-Cc1c2n(c3ccccc13)CC1CON(C)C21 MOL22120
-O=C(O)c1cc2ccc(Cl)cc2c(O)c1C1=CCCCC1 MOL22121
-Cc1cc(C)n2c(-c3ccccc3)c(C)cc2n1 MOL22122
-Cl.N=C1NNC(=O)c2nnc3c(C(=O)O)cnn3c2S1 MOL22123
-Cc1nn2c3c(nnc2c1C#N)C(=O)NNC(=N)S3.Cl MOL22124
-Cn1c(N)c(-c2c3ccccc3nc3ccccc23)c(=O)n(C)c1=O MOL22125
-C[c-]1c(C=NNS(=O)(=O)c2ccccc2)no[n+]1=O MOL22126
-Cc1no[n+]([O-])c1C=NNS(=O)(=O)c1ccccc1 MOL22127
-O=C(NCc1ccc2ccc3cccnc3c2n1)c1ccc[n+](Cc2ccccc2)c1.[Br-] MOL22128
-CC12CCC(C(N3CCOCC3)C1=NOCCN1CCCC1)C2(C)C MOL22129
-CCOC(=O)N1Cc2ccoc2C1 MOL22130
-COc1c(O)c2c(c(O)c1C(C)C)C(=O)C(O)=C1C(C)(C)CCCC12C MOL22131
-Cn1c2cc(O)cc(O)c2c(=O)c2c([N+](=O)[O-])cccc21 MOL22132
-COc1cc(OC)c2c(=O)c3c([N+](=O)[O-])cccc3n(C)c2c1 MOL22133
-CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC MOL22134
-CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC=CCCCCCCCC MOL22135
-CCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCC MOL22136
-CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC MOL22137
-Cl.Cn1c2c3ccccc3nc-2cc2ccccc21 MOL22138
-c1ccc2nc3c(cc2c1)[nH]c1ccccc13 MOL22139
-CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(c4ccoc4)C(O)C4OC43C12C MOL22140
-CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)CC2C)CC1 MOL22141
-CC1CC(=O)Nc2ccccc2N1C(=O)CN1CCC(CCCCN(C)C)CC1 MOL22142
-CC1CC(=O)Nc2ccc(Cl)cc2N1C(=O)CN1CCC(CCCCN(C)C)CC1 MOL22143
-CCN(CC)CCCCC1CCN(CC(=O)N2c3cc(Cl)ccc3NC(=O)CC2C)CC1 MOL22144
-CCN(CC)CC1CCCCN1CC(=O)N1CC(C)C(=O)Nc2ccccc21 MOL22145
-CC1CN(C(=O)CN2CCC(CCCCN(C)C)CC2)c2ccccc2NC1=O MOL22146
-CCN(CC)CCCCC1CCN(CC(=O)N2CC(C)C(=O)Nc3ccccc32)CC1 MOL22147
-COC1(OC)C(=CC=O)C(=O)C(Cl)=C1N(C)C MOL22148
-CC(C)=CC(C(O)c1ccccc1)S(=O)(=O)c1nccn1C MOL22149
-COC(=O)c1sc(=O)n(-c2ccccc2)c1SCc1ccccc1 MOL22150
-COc1ccc(CCN(C)C2CCC(C#N)(c3ccc(OC)c(OC)c3)CC2)cc1OC.Cl MOL22151
-COc1ccc(CCN2CCC(C#N)(c3ccc(OC)c(OC)c3)CC2)cc1OC.Cl MOL22152
-COc1ccc(CCN(C)CCCC2(C#N)c3ccccc3-c3ccccc32)cc1OC MOL22153
-COc1ccc(CCNCCCC2c3ccccc3-c3ccccc32)cc1OC MOL22154
-O=C1CCCC2=C(N1)C(=O)C=CC2=O MOL22155
-Cc1cnc2c(c1)C(=O)C1=C(OC(C)(C)CC1O)C2=O MOL22156
-CC(C)=CCc1c(O)cc(O)c2c1OC(c1cc3c(cc1O)OC(c1ccc(O)cc1)C3c1cc(O)cc(O)c1)CC2=O MOL22157
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1N=C(C=Cc2ccccc2)OC1=O MOL22158
-COC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc2o1 MOL22159
-NNC(=O)c1cc(=NNC(=O)CC(=O)Nc2ccccc2Cl)c2ccccc2o1 MOL22160
-CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1 MOL22161
-CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1 MOL22162
-COc1ccccc1NC(=O)CC(=O)N1N=C(C)C(N=Nc2ccc(S(N)(=O)=O)cc2)C1=O MOL22163
-CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)C1N=Nc1ccc(S(N)(=O)=O)cc1 MOL22164
-CCOC(=O)C(N=Nc1ccc(S(N)(=O)=O)cc1)C(C)=O MOL22165
-COC(=O)c1ccccc1N=Cc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1 MOL22166
-COc1ccc(N=Cc2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2)cc1 MOL22167
-N#CCCN(c1ccc(C=Nc2ccc(C(=O)O)cc2)cc1)S(=O)(=O)c1ccccc1 MOL22168
-N#CCCN(c1ccc(C=Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 MOL22169
-Cc1ccccc1N=Cc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1 MOL22170
-N#CCCN(c1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 MOL22171
-N#CCCN(c1ccc(C=Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 MOL22172
-CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(C)c2)c1-c1ccccc1 MOL22173
-CCOc1ccccc1N=Nc1c(-c2ccccc2)nn(C(=O)CC(=O)Nc2cccc(Cl)c2)c1-c1ccccc1 MOL22174
-CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3cccc(C)c3)c2-c2ccccc2)cc1 MOL22175
-CCOc1ccc(N=Nc2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1 MOL22176
-Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccccc3[N+](=O)[O-])c2-c2ccccc2)cc1 MOL22177
-COc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2[N+](=O)[O-])c1-c1ccccc1 MOL22178
-Cc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 MOL22179
-O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)Nc1ccc(Cl)cc1 MOL22180
-O=C(c1ccncc1)n1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 MOL22181
-O=C(c1ccncc1)n1nc(-c2ccccc2)c(N=Nc2ccccc2[N+](=O)[O-])c1-c1ccccc1 MOL22182
-Cc1cc2occ(C)c(=O)c2c2c1OC(C)(C)S2 MOL22183
-Cc1cc2oc(-c3ccccc3)c(C)c(=O)c2c2c1OC(C)(C)S2 MOL22184
-O=C1COc2cc3c(cc2N1)SCCC(=O)N3 MOL22185
-O=C1COc2cc3c(cc2N1)SCC(=O)N3 MOL22186
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[Cu].[NaH] MOL22187
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[MgH2].[NaH] MOL22188
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH].[Zn] MOL22189
-O=S(=O)(O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL22190
-C[S+]1Cc2nc3ccccc3n2C1c1c(F)cccc1F.[I-] MOL22191
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1 MOL22192
-Nc1ccc2c(c1)oc1c(F)c(F)cc3c(=O)c(C(=O)O)cn2c13 MOL22193
-CC(=O)CN(Cc1cc(C)c2c(c1)c1ccccc1n2Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 MOL22194
-CN(C)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 MOL22195
-CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 MOL22196
-CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2OC(=O)C=Cc2ccccc2)c(OC(=O)C=Cc2ccccc2)c1 MOL22197
-O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Nc1ccccn1 MOL22198
-O=C1OCCc2c1[nH]c1ccccc21 MOL22199
-N#CN1CCC=C(c2cc3ccccc3[nH]2)C1 MOL22200
-C1=C2CN3CCC45c6ccccc6N6CCC(OC1)C(C2CC34)C65 MOL22201
-COC(=O)C=CC1CC(CCCOc2ccccc2)OC(c2ccccc2)O1 MOL22202
-CC(O)c1ccc[n+](Cc2ccccc2)c1.[Cl-] MOL22203
-c1ccc(SCc2ccc3c(c2)OCO3)cc1 MOL22204
-COC1(CC2(OC)C=CC(=O)O2)C=CC(=O)O1 MOL22205
-COC(=O)CC(c1ccccc1)C1(c2ccccc2)SCCS1 MOL22206
-ONN=Cc1cc2c(cc1Br)OCO2 MOL22207
-CC(=O)ON=Cc1cc2c(cc1Br)OCO2 MOL22208
-COC(=O)C(Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC MOL22209
-COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1 MOL22210
-COc1cc(CC2C(=O)OCC2C(OC(C)=O)c2ccc3c(c2)OCO3)c(Br)c(OC)c1OC MOL22211
-COc1cc(CC2C(=O)OCC2C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL22212
-COc1cc(C(O)C2C(=O)OCC2C2(c3ccc4c(c3)OCO4)SCCCS2)cc(OC)c1OC MOL22213
-COc1cc2c(c(OC)c1OC)C(c1ccc3c(c1)OCO3)C1COC(=O)C1C2 MOL22214
-COC(=O)c1ccc(Cc2ccc(C(=O)OC)o2)o1 MOL22215
-CC1(C2COC(=O)C2)SCCCS1 MOL22216
-COc1cc(C=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC MOL22217
-COC(=O)C(CC(=O)c1cc2c(cc1I)OCO2)Cc1cc(OC)c(OC)c(OC)c1I MOL22218
-O=C1CNS(=O)(=O)N1 MOL22219
-Cc1cc2c(c3c1c1ccccc1n3C)C(=O)C=CC2=O MOL22220
-Cc1cc2c3ccccc3n(C)c2c2c1C(=O)C=CC2=O MOL22221
-Cc1cccc2c3ccc4c(c3n(C)c12)C(=O)C=CC4=O MOL22222
-Cn1c2ccccc2c2cc(-c3ccccc3)c3c(c21)C(=O)C=CC3=O MOL22223
-Cc1cc2c3ccccc3n(C)c2c2c1C(=O)c1ccccc1C2=O MOL22224
-Cn1c2ccccc2c2cc(-c3ccccc3)c3c(c21)C(=O)c1ccccc1C3=O MOL22225
-COc1ccc(C2CC3C(=O)OC(=O)C3c3c2c2ccccc2n3C)cc1 MOL22226
-CC(C)(C)C1CCC2c3c([nH]c4ccc(Br)cc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1 MOL22227
-CCCCCCCCCCCCCCCCCCOCC(C[N+]1(C)CCC(O)CC1)OCC.[Br-] MOL22228
-CCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[n+]1ccccc1)OC MOL22229
-CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)O)OCC MOL22230
-O=c1n(-c2ccccc2)c(=O)n2n1Cc1cc3ccccc3cc1-2 MOL22231
-COC12CCC(C(C(=O)c3ccccc3)=C1C(=O)c1ccccc1)C(O)C2 MOL22232
-c1ccc(C2SCc3nc4ccccc4n32)cc1 MOL22233
-COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C(C)=O)OCO2)C(=O)OC MOL22234
-COc1cc(C=O)c(-c2cc3c(cc2C2(C)OCCS2)OCO3)c(OC)c1OC MOL22235
-COC(=O)C(=Cc1cc(OC)c(OC)c(OC)c1-c1cc2c(cc1C1(C)OCCS1)OCO2)C(=O)OC MOL22236
-COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C(=O)CC(C(=O)O)(C(=O)O)C2)OCO3 MOL22237
-COC(=O)C1(C(=O)OC)CC(=O)c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)C1)OCO3 MOL22238
-COC(=O)C(C(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC MOL22239
-Cn1c(C2CCCc3c2c2ccccc2n3C)cc2ccccc21 MOL22240
-Cn1c(C2CC(C)(C)c3c2c2ccccc2n3C)cc2ccccc21 MOL22241
-O=C(C(=O)c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 MOL22242
-O=C(c1cc2ccccc2[nH]1)C(O)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 MOL22243
-OC(c1cc2ccccc2[nH]1)C(O)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 MOL22244
-C=C(C)CC(C)(c1cc2ccccc2n1C)N1CCOCC1 MOL22245
-Cn1c2c(c3ccccc31)C1C(=O)N(c3ccccc3)C(=O)C1CC2 MOL22246
-COC(=O)C1CC2C(=O)N(c3ccccc3)C(=O)C2c2c1n(C)c1ccccc21 MOL22247
-CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)CC2.Cl MOL22248
-CCC12CCCN(Cc3ccccc3)C1c1c([nH]c3ccccc13)C(CO)C2 MOL22249
-CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(C(=O)O)C2.Cl MOL22250
-CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(C(=O)OC)C2 MOL22251
-CCC12CCCNC1c1c(n(C)c3ccccc13)C(C(=O)OC)C2.Cl MOL22252
-CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(CO)C2 MOL22253
-CCC12CCCN(Cc3ccccc3)C1c1c(n(C)c3ccccc13)C(C(=O)OC)C2 MOL22254
-COC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL22255
-CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C MOL22256
-CC=C1C=CC2c3[nH]c4ccccc4c3CCN2C1 MOL22257
-COC(=O)C1C(=O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21 MOL22258
-C=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C MOL22259
-CC=C1CN2CCc3c([nH]c4ccccc34)C2C=C1CCO MOL22260
-CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(=O)OC MOL22261
-COC(=O)CC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-] MOL22262
-CN1CCCN2CCN(C)CCCN(CC1)CC2 MOL22263
-Cc1csc(=S)n1OC(=O)NC1CCCCC1 MOL22264
-CC1(CO)C(=O)OC12CCCCC2 MOL22265
-CN(C)CCCNc1ccnc2cc([N+](=O)[O-])ccc12.Cl MOL22266
-CN(C)CCNC(=O)c1ccc(NC(=O)c2nc([N+](=O)[O-])cn2C)cc1.Cl MOL22267
-Cc1c([N+](=O)[O-])ccc2c(NCCCN(C)C)ccnc12.Cl MOL22268
-Cc1nc2cc([N+](=O)[O-])ccc2c(NCCCN(C)C)c1C.Cl MOL22269
-O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cnc([N+](=O)[O-])n1 MOL22270
-O=C(CCCn1cnc([N+](=O)[O-])n1)NCCn1ccnc1[N+](=O)[O-] MOL22271
-O=C(CCCn1cnc([N+](=O)[O-])n1)NCCCn1ccnc1[N+](=O)[O-] MOL22272
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1cnc([N+](=O)[O-])n1 MOL22273
-CCOC(=O)C1S(=O)(=O)OCCOS1(=O)=O MOL22274
-O=C(c1ccccc1)C1S(=O)(=O)OCCOS1(=O)=O MOL22275
-Cc1ccc(S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O)cc1 MOL22276
-O=S1(=O)OCCOS(=O)(=O)C1(Br)Br MOL22277
-O=S1(=O)OCCOS(=O)(=O)C1Br MOL22278
-O=S1(=O)OCCOS(=O)(=O)C1Cl MOL22279
-O=S1(=O)OCCOS(=O)(=O)C1(Cl)Cl MOL22280
-O=S1(=O)OCCOS(=O)(=O)C1(I)I MOL22281
-O=S1(=O)OCCOS(=O)(=O)C1I MOL22282
-Cc1ccc2nc(N)nc(O)c2c1Sc1ccncc1.Cl MOL22283
-CC(=O)C1=CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)OC(c1ccccc1)c1ccccc1 MOL22284
-O=C(C=Cc1ccc(Cl)cc1)C=C1SCCS1 MOL22285
-O=C1OC(Cl)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl MOL22286
-C=C1C(=O)C=C2C=C3C(=O)C(C)(C)CC3(O)C12C MOL22287
-Cc1cc(=O)c2c([nH]1)N=S(=O)(O)N=C2O MOL22288
-CC(C)=CCCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2 MOL22289
-Cc1ccc2c(c1CCCC(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O MOL22290
-CC(C)C(OC(=O)c1cc(NC(=S)c2cccn2C)ccc1Cl)C(C)C MOL22291
-O=C(OC1CCCCC1)c1cc(NC(=S)c2ccsc2)ccc1Cl MOL22292
-Cc1occc1C(=S)Nc1ccc(Cl)c(OCC(=O)OC(C)(C)C)c1 MOL22293
-Cc1ccsc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1 MOL22294
-CC(C)(C)OC(=O)NC1CC(=O)c2ccccc2N(CC(=O)O)C1=O MOL22295
-CC(C)(C)OC(=O)NC1CC(O)c2ccccc2N(CC(=O)O)C1=O MOL22296
-CC(C)(C)OC(=O)NC1CC(O)c2ccccc2N(CC(=O)O)C1=O MOL22297
-OC1(C23CC4CC(CC(C4)C2)C3)CSCC1(O)C12CC3CC(CC(C3)C1)C2 MOL22298
-CC1(C)OC(=O)C(C#N)=C1C[n+]1ccccc1.[I-] MOL22299
-CC1(C)OC([O-])=C(C#N)C1=C[n+]1ccccc1 MOL22300
-CC1(C)OC(=O)C(C#N)=C1C=C1OC(=O)c2ccccc21 MOL22301
-CC1(C)OC(=O)C(C(N)=O)=C1C=C1OC(=O)c2ccccc21 MOL22302
-CC1(C)CC(C=Cc2coc3ccc(Cl)cc3c2=O)=C(C#N)C(=O)O1 MOL22303
-Cc1cc2occ(C=CC3=C(C#N)C(=O)OC(C)(C)C3)c(=O)c2cc1C MOL22304
-CC1(C)CC(C=C2OC(=O)c3ccccc32)=C(C#N)C(=O)O1 MOL22305
-CC1(C)CC(C=C2OC(=O)c3ccccc32)=C(C(N)=O)C(=O)O1 MOL22306
-CC1(C)OC(=O)C(C#N)=C1C=Cc1coc2ccc(Cl)cc2c1=O MOL22307
-CC1=C(c2nc3ccccc3s2)C(=O)OC1(C)C MOL22308
-N#Cc1c(C[n+]2ccccc2)c2ccccc2oc1=O.[I-] MOL22309
-CC1(C)OC(=O)C(C#N)=C1C=Cc1ccco1 MOL22310
-COc1ccc(C(C2=C(O)CC(C)OC2=O)C2=C(O)CC(C)OC2=O)cc1 MOL22311
-CCCCC1(OC(=O)CCC(=O)O)CCC2(CCC(C)C(CC=C(C)C=CC(O)C(C)C=CC(=O)O)O2)OC1CCC(C)=CC(=O)O MOL22312
-COC1=CC(=O)C2(OC)C(=O)c3c(cc4cc(O)c(C(O)OC)c(C)c4c3O)C(=O)C2(O)C1OC1OC(C)C(OC)C(OC)C1OC MOL22313
-CC1(C)OC2(C=CC1O)CCCCO2 MOL22314
-CCc1c(Sc2ccccn2)n(COCc2ccccc2)c(=O)[nH]c1=O MOL22315
-Cc1nc2c(nc1Cl)nc(Oc1ccc(Cl)cc1)c1ccccc12 MOL22316
-CC(=O)n1c2ccccc2c2nc3nc(Oc4ccc(C)cc4)c4ccccc4c3cc21 MOL22317
-CS(=O)(=O)c1c(N)c2nc(Cl)cn2c2nc3ccccc3nc12 MOL22318
-Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n2c1nc1ccccc12 MOL22319
-Cc1ccc(S(=O)(=O)c2c(N)c3nc4ccccc4n3c3nc4ccccc4nc23)cc1 MOL22320
-CC(=O)OCc1c(O)nc2c(c1O)-c1ccccc1CC2 MOL22321
-O=CC1=CCCN(CCc2c[nH]c3ccccc23)C1 MOL22322
-O=CC1=CCC2c3[nH]c4ccccc4c3CCN2C1 MOL22323
-COC(=O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1 MOL22324
-OCc1ccc2[n+](c1)CCC1c3ccccc3NC21.[Br-] MOL22325
-CC(=O)C1=CCC2c3[nH]c4ccccc4c3CCN2C1 MOL22326
-CC1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C MOL22327
-CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CCO MOL22328
-CCC1CN2CCc3c([nH]c4ccccc34)C2CC1CCO MOL22329
-CCC1CN2CCc3c([nH]c4ccccc34)C2CC1CC(=O)N(C)C MOL22330
-CC(O)=C1CC2CN3CCc4c([nH]c5ccccc45)C3CC2CC1=O MOL22331
-COC(=O)C=CC1C2C3(CCC(C)C12C)OCCS3 MOL22332
-COc1cc(CC(=O)c2cc3c(cc2-c2ccccc2)OCO3)cc(OC)c1OC MOL22333
-COc1cc2cc(OC(C)=O)c3cc4c(cc3c2c(OC)c1OC)OCO4 MOL22334
-Brc1ccc(-c2cc3c(cc2C2SCCS2)OCO3)cc1 MOL22335
-COc1cc(C=C(C)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL22336
-O=S(Cc1cc2c(cc1Br)OCO2)c1ccccc1 MOL22337
-COc1cc2cc(OC)c3cc4c(cc3c2c(OC)c1OC)OCO4 MOL22338
-COc1cc(CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL22339
-CCOP(=O)(CC(=O)c1ccccc1)OCC MOL22340
-O=C1c2nn(-c3ccccc3)nc2C(c2ccccc2)N1c1ccccc1 MOL22341
-CC(C)C1COC(C(C)(C)C2=NC(C(C)C)CO2)=N1 MOL22342
-CC(C)(C1=NC(C(C)(C)C)CO1)C1=NC(C(C)(C)C)CO1 MOL22343
-CCCCCCC1CCC2C(CCC(O)C2CO)C1 MOL22344
-N=c1sc(=S)[nH]c2sc(Nc3ccccc3)nc12 MOL22345
-Sc1nc(S)c2nc(Nc3ccccc3)sc2n1 MOL22346
-COCOC1C(=O)N(c2ccccc2)C1c1ccccc1 MOL22347
-COCOC1C(=O)N(c2ccccc2)C1c1ccccc1 MOL22348
-C1=CC2SSSC2C1 MOL22349
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1cc(F)cc(F)c1 MOL22350
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1ccc(F)cc1 MOL22351
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C#Cc1c(F)c(F)c(F)c(F)c1F MOL22352
-COS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] MOL22353
-CCOS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] MOL22354
-CCCOS(=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] MOL22355
-C=Cc1ccc(C)[n+](C[Si](C)(C)O[Si](C)(C)C)c1.[I-] MOL22356
-C=Cc1ccc(C)[n+](C[Si](C)(C)O[Si](C)(C)C[n+]2cc(C=C)ccc2C)c1.[I-] MOL22357
-CC1(C)Cc2c(oc3ncnc(N)c23)CS1 MOL22358
-COc1nc(C(=O)O)c(Cl)c(OC)c1Cl MOL22359
-CO.COc1cc2c(cc1OC)C(=O)C(C1=C(SC(=N)N)C(=O)c3cc(OC)c(OC)cc31)C2 MOL22360
-Cc1c2n(c3ccccc13)CC1C2N(C)OC1(C)C MOL22361
-O=S1c2ccc(Cl)cc2CC(SSC2Cc3cc(Cl)ccc3S(=O)c3ccccc32)c2ccccc21 MOL22362
-NC(=O)COc1c(Br)cc(Br)cc1Br MOL22363
-O=c1[nH]c2nc3ccccc3c(=O)n2nc1Cc1ccccc1 MOL22364
-O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(Cl)n2)c1 MOL22365
-CC1SC(c2ccccc2)N(Nc2c3ccccc3nc3ccccc23)C1=O MOL22366
-CCOC(=O)C1C(=O)c2cccc(OC)c2C2COC(=O)N12 MOL22367
-OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12 MOL22368
-CCOC(=O)C1=C(C)NC2=C(C(=O)N(c3ccccc3)C2c2ccccc2)C1c1ccccc1 MOL22369
-CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)C2c2ccccc2)C1c1ccccc1 MOL22370
-CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C2=C(C(=O)N(c3ccccc3)C2c2ccccc2)C1c1ccccc1 MOL22371
-CCOC(=O)C(C(=O)c1ccccc1-c1ccccc1C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL22372
-CCOC(=O)C(Br)=C1OC(=O)c2ccccc2-c2ccccc21 MOL22373
-CCOC(=O)C(Br)=C1OC(=O)c2ccccc2-c2ccccc21.CCOC(=O)C(Br)=C1OC(=O)c2ccccc2-c2ccccc21 MOL22374
-CCCCCCCCCCCCCCCCCCSCC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC.[NaH] MOL22375
-CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC.[NaH] MOL22376
-CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC.[NaH] MOL22377
-COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl MOL22378
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCO)CCC4(C)C3CCC12C MOL22379
-COC(=O)c1cc(C(=CCCCCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL22380
-CCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL22381
-CCCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL22382
-NC1CC(n2ccc(=O)[nH]c2=O)OC1C(O)CO MOL22383
-C=C1C2=C(CCCC2)C(=O)OC12CCCCC2 MOL22384
-CC(C)=CC1CCc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 MOL22385
-Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1 MOL22386
-CCOC(=O)C1=C(c2ccccc2)N(C(C)=O)Cc2ccccc21 MOL22387
-CCOC(=O)C1(C(=O)OCC)C(C(C)(C)C)=C(C)c2ccccc21 MOL22388
-Cc1ccc(S(=O)(=O)N2c3ccccc3C3CCC=CC32)cc1 MOL22389
-CCCCC=CC1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 MOL22390
-C=C1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)C12CCCCC2 MOL22391
-CC1Cn2c(=S)[nH]c3cccc(c32)NC1=O MOL22392
-CC(=NNC(=O)c1ccncc1)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL22393
-CC(=NNC(N)=S)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL22394
-COc1cc(C=CC(=NNC(=S)NN)c2sc(NNC(C)=O)nc2C)ccc1O MOL22395
-NC(=O)NN=C(CC1C(=O)Oc2ccccc21)c1ccccc1O MOL22396
-CC(=O)NNc1nc(C)c(C(=O)C=CC=Cc2ccccc2)s1 MOL22397
-CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C MOL22398
-CC(=O)NNc1nc(C)c(C(C=Cc2ccc([N+](=O)[O-])cc2)=NNC(N)=O)s1 MOL22399
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cc(C)ccc1C)c1nc2ccccc2nc1O MOL22400
-COC(=O)C(C(=NO)C(=O)Nc1cccc(Cl)c1C)c1cnc2ccccc2n1 MOL22401
-CCOc1ccc(NC(=O)C(=O)C(C(=NN)C(=O)OC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL22402
-CCc1cccc(C(C)C)c1NC(=O)C(=O)C1C(=O)Nc2ccccc2S1=O MOL22403
-O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(C1OC(=O)c2ccccc21)[N+](=O)[O-] MOL22404
-COc1ccc(NC(=O)C(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3nc2O)c([N+](=O)[O-])c1 MOL22405
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)c(C)c1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22406
-Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1nc2ccccc2[nH]1 MOL22407
-CC(=O)c1ccc(NC(=O)C(CC(=O)C=Cc2ccccc2)=NNC(N)=S)cc1 MOL22408
-CCOc1ccc(NC(=O)C(=O)C2C(=O)Nc3ccccc3S2=O)cc1 MOL22409
-Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1ccc(Br)cc1 MOL22410
-Cc1cc(Br)cc(C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL22411
-O=C(NNC(=O)c1ccncc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL22412
-Cc1nc(C(N)=S)sc1C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C MOL22413
-COC(=O)C(=O)C(C(=O)C(N)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22414
-CCOc1ccc2nc(NC(=O)C(=O)C(c3cnc4ccccc4n3)[N+](=O)[O-])sc2c1 MOL22415
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(C)=O)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22416
-COC(=O)C(C(=O)C(=O)NC1Nc2ccc(C)cc2S1)c1nc2ccc(Cl)cc2nc1O MOL22417
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22418
-O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccc(Br)cc1 MOL22419
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(=O)OC)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22420
-O=C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)C(=O)Nc1ccccc1[N+](=O)[O-] MOL22421
-CCc1cccc(C(C)C)c1NC(=O)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL22422
-CC(=O)c1cccc(NC(=O)C(=NNC(=S)NN)C2C(=O)Nc3ccccc3S2=O)c1 MOL22423
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22424
-COc1ccc(OC)c(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)c1 MOL22425
-N#Cc1ccccc1NC(=O)C(=O)c1c(O)c2ccccc2oc1=O MOL22426
-O=C1C=C(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc2C1=O MOL22427
-COC(=O)C(=NNC(=S)NN)C(C(=O)OC)C(=O)C(=O)Nc1cccc(C(F)(F)F)c1 MOL22428
-O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL22429
-Cc1ccc(NC(=O)C(=NN(C)C)C(C2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 MOL22430
-NNC(=S)NN=C(C(=O)Nc1ccc(Cl)c(Cl)c1)C(C1OC(=O)c2ccccc21)[N+](=O)[O-] MOL22431
-COc1ccccc1NC(=O)C(=O)C(C#N)CC(C)(C)C=O MOL22432
-CCOC(=O)C(=O)C(C(=NN(C)C)C(=O)Nc1ccc(C)cc1C)c1nc2ccccc2nc1O MOL22433
-Cc1cccc(C)c1NC(=O)C(=O)CC(=O)C=Cc1ccccc1 MOL22434
-O=C(NC1=NC2C=CC([N+](=O)[O-])=CC2S1)C(=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL22435
-CCOc1ccccc1NC(=O)C(=NNC(C)(C)C)C1C(=O)Nc2ccccc2S1=O MOL22436
-CC(=O)c1cccc(NC(=O)C(=O)c2c(O)c3ccccc3oc2=O)c1 MOL22437
-COC(=O)C(C(=O)C(=O)Nc1c(C)cccc1C(C)(C)C)c1nc2ccc(Cl)cc2nc1O MOL22438
-NC(=O)c1ccccc1NC(=O)C(=O)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL22439
-O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)C1C(=O)NC(=S)NC1=O MOL22440
-Cc1cc(S(=O)(=O)O)c(NC(=O)c2oc3cc(O)ccc3c(=O)c2C)cc1Cl MOL22441
-CC(=O)c1cccc(NC(=O)C(=O)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1 MOL22442
-CCOP(=O)(OCC)C(C(=O)OC)C(=O)C(=O)Nc1cccc(O)c1 MOL22443
-Cc1ccc(C)c(NC(=O)C(=O)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1 MOL22444
-CCOc1ccc(NC(=O)C(=NNC(C)(C)C)C2C(=O)Nc3ccccc3S2=O)cc1 MOL22445
-COC(=O)C(C(=O)C(=O)Nc1ccccc1C#N)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22446
-O=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl MOL22447
-CC(=NNC(=O)c1ccncc1)c1ccc(NC(=O)C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)cc1 MOL22448
-Cc1nc(C(N)=S)sc1C(=O)CC(=NN)C(=O)Nc1ccc(Cl)cc1 MOL22449
-NN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C1=Nc2cc([N+](=O)[O-])ccc2NC1)[N+](=O)[O-] MOL22450
-COC(=O)C(C(=NN)C(=O)Nc1cccc(O)c1)c1nc2ccccc2nc1O MOL22451
-COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1ccccc1C(N)=O MOL22452
-Cc1ccc2nc(NC(=O)C(=O)C3C(=O)NC(=S)NC3=O)sc2c1 MOL22453
-COC(=O)C(=O)C(C(=O)C(=O)Nc1nc2ccc(C)cc2s1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22454
-COC(=O)C(=O)C(C(=O)OC)C(=O)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl MOL22455
-NNC(=S)NN=C(C(=O)Nc1cccc(O)c1)C1C(=O)NC(=S)NC1=O MOL22456
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1OC)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22457
-CCOc1ccc(NC(=O)C(=O)Nn2c(=N)[nH][nH]c2=N)cc1 MOL22458
-COC(=O)C(Cc1nc2ccccc2nc1O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl MOL22459
-COC(=O)C(=O)C(C(=O)C(=O)Nc1nc(=S)[nH][nH]1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22460
-Cc1nc(C(N)=S)sc1C(=O)CC(=NN)C(=O)Nc1cccc(Cl)c1C MOL22461
-N#Cc1ccccc1NC(=O)C(=NNC(=O)c1ccncc1)C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] MOL22462
-CCOc1ccc(NC(=O)C(=NN)C(C(=O)OC)c2nc3ccc(Cl)cc3nc2O)cc1 MOL22463
-Cc1cc(Cl)ccc1NC(=O)C(Cc1nc2ccc(C(=O)c3ccccc3)cc2nc1O)=NNC(=O)c1ccncc1 MOL22464
-COc1cccc(OC)c1NC(=O)C(=O)Nn1c(NNC(=O)c2ccncc2)nc2ccccc2c1=O MOL22465
-COC(=O)C(C(=NNC(=O)c1ccncc1)C(=O)Nc1ccccc1OC)c1nc2ccc(Cl)cc2nc1O MOL22466
-COC(=O)C(C(=NN)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccc(Cl)cc2nc1O MOL22467
-NN=C(C(=O)Nc1ccc(Cl)cc1Cl)C(c1cnc2ccccc2n1)[N+](=O)[O-] MOL22468
-COC(=O)C(C(=NN)C(=O)Nc1ccc(C)c(C)c1)c1nc2ccc(Cl)cc2nc1O MOL22469
-COC(=O)C(=NN)C(C(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22470
-Cc1ccc(C)c(NC(=O)C(=NN)C(c2cnc3ccc([N+](=O)[O-])cc3n2)[N+](=O)[O-])c1 MOL22471
-NNc1nc2ccccc2c(=O)n1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 MOL22472
-NC(=O)NNc1nc2ccccc2c(=O)n1NC(=O)C(=O)Nc1ccc(Cl)cc1Cl MOL22473
-CCOc1ccccc1NC(=O)C(=O)C(C(=NN)C(=O)OC)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22474
-COC(=O)C(C(=NNC(N)=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22475
-COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccccc1OC)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22476
-CC(C)OP(=O)(OC(C)C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(N)(N)S1 MOL22477
-CN1CCCC(=O)C1CCC1C(=O)CCCN1C MOL22478
-CCN1C(=O)C(=Cc2coc3ccccc3c2=O)SC1=S MOL22479
-[N-]=[N+]=C1C(=O)C2CC3CC(C2)CC1C3 MOL22480
-[N-]=[N+]=C1C(=O)C2CC3CC1CC2C3 MOL22481
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(Oc2ccccc2)cc1 MOL22482
-CCOP(=O)(OCC)C(C#N)=Cc1cccc(Oc2ccccc2)c1 MOL22483
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(C(F)(F)F)cc1 MOL22484
-CCOC(=O)C(=Cc1cccc(C(F)(F)F)c1)P(=O)(OCC)OCC MOL22485
-Nc1nc(O)c2ncn(C3C=CC(O)CC3)c2n1 MOL22486
-Nc1ncnc2c1ncn2C1C=CC(=O)CC1 MOL22487
-Nc1nc(Cl)c2ncn(C3C=CC(O)CC3)c2n1 MOL22488
-Cc1cn(C2CC=C(CO)CC2)c(=O)[nH]c1=O MOL22489
-COC(=O)C1=CCC(n2cc(C)c(=O)[nH]c2=O)CC1 MOL22490
-COC(=O)C1=CCC(n2cnc3c(N)ncnc32)CC1 MOL22491
-COC(=O)C1=CCC(n2cnc3c(Cl)nc(N)nc32)CC1 MOL22492
-Nc1nc(Cl)c2ncn(C3CC=C(CO)CC3)c2n1 MOL22493
-O=C(O)CCC1(C(=O)O)NC(C(=O)O)Cc2nc[nH]c21 MOL22494
-O=C(O)CCC1(C(=O)O)NC(C(=O)O)Cc2nc[nH]c21 MOL22495
-NC(=O)CCC1NCC(C(O)C(O)C(O)CO)OC1=O MOL22496
-CC=CC#CC#CC(O)C(O)C=CCCCO MOL22497
-CC=CC#CC#CC(O)C(C=CCCCO)OC1OC(CO)C(O)C(O)C1O MOL22498
-O=C(O)c1nn(-c2ccccn2)c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)nn(-c4ccccn4)c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL22499
-CC(=O)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(O)c5ncccc5c4C(C)=O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH] MOL22500
-O=C(c1ccccc1)c1cc(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(C(=O)c5ccccc5)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH] MOL22501
-O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1.[NaH] MOL22502
-Cc1ccc(C2(C)NC(=S)N(NC(N)=S)C2=S)cc1 MOL22503
-C=C1C2CCC(C)(C)C1CCC(=O)C2C(=O)OC MOL22504
-CC1CC(C)c2c(O)c3c(c(O)c2N1)C(=O)c1ccccc1C3=O MOL22505
-CCOC(=O)C(C(CC(=O)OC)NC(=O)OCc1ccccc1)C1(C)OCCO1 MOL22506
-COC(=O)CC(NC(=O)OCc1ccccc1)C(C(C)=O)C(=O)OCc1ccccc1 MOL22507
-COC(=O)CC(NC(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)C1(C)OCCO1 MOL22508
-COC(=O)CC1NC(=O)C1C1(C)OCCO1 MOL22509
-COC(=O)CC(NC(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)C(C)(OC)OC MOL22510
-COC(=O)CC1NC(=O)C1C(C)(OC)OC MOL22511
-COC(=O)CC1NC(=O)C1C(C)O MOL22512
-C=CN1C(=O)OCC1c1ccccc1 MOL22513
-COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(=O)OCC1c1ccccc1 MOL22514
-COC(=O)CC(C(C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OCC1c1ccccc1 MOL22515
-COC(=O)CC(C(C(=O)OCc1ccccc1)C(C)O)N1C(=O)OCC1c1ccccc1 MOL22516
-C=CN1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL22517
-C=CN1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL22518
-COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL22519
-COC(=O)CC(C(C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL22520
-COC(=O)CC(C(C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL22521
-COC(=O)CC(C(C(=O)OCc1ccccc1)C(C)O)N1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL22522
-CC(C)C1CNC2N1C(=O)C2(C)OCc1ccccc1 MOL22523
-COC1(C)CNCC(C)(C)NC(=O)C(C)(OC)CNCC(C)(C)NC1=O MOL22524
-CC1(C)CNCC(C)(OCc2ccccc2)C(=O)NC(C)(C)CNCC(C)(OCc2ccccc2)C(=O)N1 MOL22525
-CC(C)C1CN(C(=O)OCc2ccccc2)C2N1C(=O)C2(C)OCc1ccccc1 MOL22526
-CC1(OCc2ccccc2)C(=O)N2C1NCC2(C)C MOL22527
-COC1(C)C(=O)N2C1N(C(C)=O)CC2(C)C MOL22528
-COC1(C)C(=O)N2C1N(C(=O)OC(C)(C)C)CC2(C)C MOL22529
-CC(C)(C)OC(=O)N1CC(C)(C)N2C(=O)C3(CCCO3)C12 MOL22530
-COC1(C)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C MOL22531
-CC1(OCc2ccccc2)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C MOL22532
-CC1NC(=O)c2cc(O)nc(O)c21 MOL22533
-CC1c2c(cc(O)nc2O)C(=O)N1Cc1ccccc1 MOL22534
-CC1NC(=O)c2cc(O)n(C)c(=O)c21 MOL22535
-CC1c2c(cc(O)n(C)c2=O)C(=O)N1Cc1ccccc1 MOL22536
-CC1c2c(cc(O)nc2O)C(=O)N1C MOL22537
-CC1c2c(cc(O)n(C)c2=O)C(=O)N1C MOL22538
-CCC1c2c(cc(O)nc2O)C(=O)N1C MOL22539
-CCC1c2c(cc(O)nc2O)C(=O)N1Cc1ccccc1 MOL22540
-CC(=O)Oc1cc2c(c(=O)n1C)C(C)N(C)C2=O MOL22541
-CCN1C(=O)c2cc(O)nc(O)c2C1C MOL22542
-O=c1cc(-c2ccccc2)oc2cc(OCCSCCCCCCCCCCSCCOc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12 MOL22543
-O=c1cc(-c2ccccc2)c2cc3c(=O)ccoc3cc2o1 MOL22544
-Cc1c(NC(=O)C(C)(C)Br)c(=O)oc2c(C)c3occc(=O)c3cc12 MOL22545
-Cc1nc([N+](=O)[O-])cn1CC(=N)N.Cl MOL22546
-O=c1cc(-c2ccccc2)oc2cc(OCCCCCCCCCCOc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12 MOL22547
-Cc1cc(=O)oc2cc(OCCCOc3ccc4c(C)cc(=O)oc4c3)ccc12 MOL22548
-CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1 MOL22549
-O=C(c1ccc(Cl)cc1)c1ccc(OCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 MOL22550
-O=C(c1ccc(Cl)cc1)c1ccc(OCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2Cl)c(Cl)c1 MOL22551
-O=C(C=Cc1ccc(OCCCOc2ccc(C=CC(=O)c3ccccc3)cc2)cc1)c1ccccc1 MOL22552
-O=C(C=Cc1ccc(OCCCOc2ccc(C=CC(=O)c3ccc(Cl)cc3)cc2)cc1)c1ccc(Cl)cc1 MOL22553
-O=c1cc(-c2ccccc2)oc2cc(OCCCOc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12 MOL22554
-O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCCOc3ccc4c(=O)cc(-c5ccc(Cl)cc5)oc4c3)ccc12 MOL22555
-CCOC(=O)C(C)(C)Oc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 MOL22556
-CCOC(=O)C(C)(C)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 MOL22557
-CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 MOL22558
-CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1 MOL22559
-CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)cc(=O)oc2c1 MOL22560
-CC(C)(C)C1=CC(=NNC(=S)NCc2ccccc2)C=C(C(C)(C)C)C1=O MOL22561
-CC(C)c1cccc(C(C)C)c1NC(=S)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 MOL22562
-CC(C)(C)C1=CC(=NN=c2scc(-c3ccccc3)n2-c2ccccc2)C=C(C(C)(C)C)C1=O MOL22563
-CC(C)(C)C1=CC(=NN=c2scc(-c3ccccc3)n2Cc2ccccc2)C=C(C(C)(C)C)C1=O MOL22564
-CCCCn1c(-c2ccccc2)csc1=NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 MOL22565
-Cc1cc(C)c(-n2c(-c3ccc(Br)cc3)csc2=NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)c1 MOL22566
-Cc1cc(C)c(-n2c(-c3ccccc3)csc2=NN=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)c1 MOL22567
-Oc1ccc(Cn2c(-c3ccc(O)cc3)nc3ccccc32)cc1 MOL22568
-Cc1nc2ccncc2[nH]1 MOL22569
-O=C1CSc2ccncc2N1 MOL22570
-CCCCCCCCCCCCNC1(C)CNCCCNCCNCCCNC1 MOL22571
-CCCCCCCCCCCC[N+]12CC[N+](C)(CC1)CC2.[I-] MOL22572
-CCCCCCCCCCCC[N+]12CC[N+](CCN)(CC1)CC2.[Br-] MOL22573
-O=[N+]([O-])c1ccc(C2N3CCCCC3C3CCCCN32)cc1 MOL22574
-CCOC(=O)c1sc(=NNc2nc3ccccc3cc2C2OCCO2)n(Cc2ccccc2)c1C MOL22575
-OCn1nc2c(C3OCCO3)cc3ccccc3n2c1=S MOL22576
-CCOC1(COP(=O)(OCc2ccccc2)OCc2ccccc2)COC(COP(=O)(OCc2ccccc2)OCc2ccccc2)(OCC)CO1 MOL22577
-CN1CCCc2nc3ccccc3n2C1 MOL22578
-CC1(C)c2ccccc2N2C(c3ccccc3)=NOC21C MOL22579
-NC(=S)NN=Cc1cn(CCCl)c2ccccc12 MOL22580
-Cc1cc2occ(-c3ccc(Cl)cc3)c2c(=O)o1 MOL22581
-COC(=O)C1=C(C(=O)OC)N(C(C)C)C2C(C(=O)OC)=C(C(=O)OC)N(C(C)C)C12 MOL22582
-CC1(C)COC2(OC1)C1=NS(=O)(=O)CC13CCC2C3(C)C MOL22583
-O=C1c2ccccc2C2C1N2C(=O)C(F)(F)F MOL22584
-COC1(OC)CC2C(=O)N(Cc3ccccc3)C1C(S(=O)(=O)c1ccccc1)C2C(C)S(=O)(=O)c1ccccc1 MOL22585
-CN1CCCSC1=C1SC(=S)N(c2ccccc2)C1=O MOL22586
-O=c1c(-c2ccccc2)c2oc(c1-c1ccccc1)CSCc1cccc(c1)CSC2 MOL22587
-O=c1c(-c2ccccc2)c2oc(c1-c1ccccc1)CS(=O)(=O)CCC2 MOL22588
-O=C(O)C(CO)NC(=O)n1c2ccccc2c2ccccc21 MOL22589
-CC(NC(=O)n1c2ccccc2c2ccccc21)C(=O)O MOL22590
-NNC1=NC2=NNC=CN2c2ncccc21 MOL22591
-COc1ccc(C)cc(O)c1=O MOL22592
-CCOP(=O)(OCC)C1=NC=CC=CC1n1c(-c2ccccc2)nn(CC)c1=O MOL22593
-Cc1nc2sccn2c1C(=O)NN MOL22594
-Cc1nc2sccn2c1C(=O)NNC(N)=S MOL22595
-CNC(=S)NNC(=O)c1c(C)nc2sccn12 MOL22596
-C=CCNC(=S)NNC(=O)c1c(C)nc2sccn12 MOL22597
-Cc1nc2sccn2c1C(=O)NN=C1SCC(=O)N1C MOL22598
-C=CCN1C(=O)CSC1=NNC(=O)c1c(C)nc2sccn12 MOL22599
-CC1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2C1O MOL22600
-CCOC1C(Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C1C MOL22601
-CC(C)C12C=CC(C)(CC1)n1c(=O)c3cc4ccccc4cc3c(=O)n12 MOL22602
-CC(=O)C1=C(C)Cn2c(=O)c3ccccc3c(=O)n2C1 MOL22603
-COC(=O)C1C=CC(C)n2c(=O)c3cc4ccccc4cc3c(=O)n21 MOL22604
-CC(=O)C1Cn2c(=O)c3cc4ccccc4cc3c(=O)n2C=C1C MOL22605
-N#CC1=C(N)CCSSSC1 MOL22606
-COC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C(OC)(c1ccccc1)C(F)(F)F MOL22607
-CN(c1ccccc1)c1cc2ccccc2nn1 MOL22608
-Cc1nsc2cc(Cl)n(C)c(=O)c12 MOL22609
-CC(C)(C)N=NC(C)(C)N=C=O MOL22610
-CN1C(=S)CSc2ccccc21 MOL22611
-CN1OC2OC(=O)OC2C1C1OC(c2ccccc2)OC1(C)c1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 MOL22612
-OCCN1CCN(CCO)Cc2ccccc2OCCOc2ccccc2C1 MOL22613
-CC(C)(C)C(=CS(=O)N=Cc1ccccc1)C(C)(C)C MOL22614
-CC(=O)Nc1[nH]n(C)c(=O)c1-c1nnc(C)s1 MOL22615
-Cc1nccc2c1cnc1ccnn12 MOL22616
-O=c1[nH]n2c(=O)cc[nH]c2c1-c1nnns1 MOL22617
-COc1ccc2c3c(nc(O)c2c1C(=O)O)-c1ccccc1CC3 MOL22618
-COc1ccc2c3c(n(Cc4ccccc4)c(=O)c2c1)-c1cc(OC)c(OC)cc1C3C MOL22619
-CC(C)C1COC(c2cccc(C3=NC(C(C)C)CO3)n2)=N1 MOL22620
-CC(C)C(CCl)NC(=O)c1cccc(C(=O)NC(CCl)C(C)C)n1 MOL22621
-CC(C)(CCl)NC(=O)c1cccc(C(=O)NC(C)(C)CCl)n1 MOL22622
-CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)n2)=N1 MOL22623
-COC(=O)C1C=CCON2CCc3c(n(C)c4ccccc34)C12 MOL22624
-COC(=O)C1C=CCON2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)C12 MOL22625
-COc1cc(Nc2cnc3ccc(N)cc3n2)cc(OC)c1OC MOL22626
-COc1cc(CNc2cnc3ccc(N)cc3n2)cc(OC)c1OC MOL22627
-CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1)C(=O)OCC MOL22628
-C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1cc(OC)c(OC)c(OC)c1 MOL22629
-CCOC(=O)c1ncn2c1[nH]c(=S)c1ccccc12 MOL22630
-N=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(O)c21 MOL22631
-CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 MOL22632
-CC(C)=CCc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 MOL22633
-CC(=O)Oc1cc(OC(C)=O)c(CC=C(C)C)c(-c2cc3ccc(OC(C)=O)c(CC=C(C)CCC=C(C)C)c3o2)c1 MOL22634
-CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4O)c(OC(C)=O)cc(O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1 MOL22635
-CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4OC(C)=O)c(OC(C)=O)cc(O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1 MOL22636
-CC(=O)Oc1ccc(-c2oc3c(C4C=C(C)CC(c5ccc(OC(C)=O)cc5OC(C)=O)C4C(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4OC(C)=O)c(OC(C)=O)cc(OC(C)=O)c3c(=O)c2CC=C(C)C)c(OC(C)=O)c1 MOL22637
-CC(C)=CCc1c(-c2ccc(O)cc2OC2OC(CO)C(O)C(O)C2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 MOL22638
-CC(C)=CCCC(C)=CCc1c(O)ccc2cc(-c3cc(O)cc(O)c3CC=C(C)C)oc12 MOL22639
-CC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4C(C1)C23 MOL22640
-CC1=CC2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC3(c4ccc(O)cc4O)Oc4cc(O)ccc4C(C1)C23 MOL22641
-Cn1cc2ccccc2c1-c1nc(F)nc(F)n1 MOL22642
-Fc1nc(F)nc(-c2c3ccccc3c3n2CCS3)n1 MOL22643
-CCSc1c2ccccc2c(-c2nc(F)nc(F)n2)n1CCc1ccccc1 MOL22644
-CCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1 MOL22645
-CCCCCCn1c(SCC)c2ccccc2c1-c1nc(F)nc(F)n1 MOL22646
-CCCn1c(SCC)c2cc3cc4ccccc4cc3cc2c1-c1nc(F)nc(F)n1 MOL22647
-CCCn1c(SCCSc2c3ccccc3c(-c3nc(F)nc(F)n3)n2CCC)c2ccccc2c1-c1nc(F)nc(F)n1 MOL22648
-Cn1cc2ccccc2c1-c1nc(N)nc(F)n1 MOL22649
-Cn1cc2ccccc2c1-c1nc(F)nc(Nc2ccc(N)cc2)n1 MOL22650
-Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 MOL22651
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4cn3C)n2)cc1 MOL22652
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7cn6C)n5)ccc4C3CCC21C MOL22653
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 MOL22654
-Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)CCC23)n1 MOL22655
-Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)CCC23)n1 MOL22656
-Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CCC2C3CCC3(C)C(O)C(O)CC23)n1 MOL22657
-Cn1cc2ccccc2c1-c1nc(F)nc(OCC(=O)C2CCC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C)n1 MOL22658
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c(SCC)n6CCC)n5)ccc4C3CCC21C MOL22659
-CC1CCCc2c1c1ccc3c(O)cccc3c1oc2=O MOL22660
-CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCCCC.[NaH] MOL22661
-CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CS(=O)(=O)O)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCCCCC.[NaH] MOL22662
-CC1=C(CCc2ccoc2)C2(C)CCCC(C)(C)C2C(=O)C1OC1C(=O)C2C(C)(C)CCCC2(C)C(O)(CCc2ccoc2)C1C MOL22663
-c1ccc2c(c1)OCCOCCOc1ccccc1OCCO2 MOL22664
-COc1cccc2c1C1=CC(=O)CCC1C(C)(C)O2 MOL22665
-CCOC1[C-]([Fe+2]2345(C#[O+])(C#[O+])C6=C2[C-]3C4=C65)CC2(C)C(=O)C3=C4C5=C(C12)[Fe]345(C#[O+])(C#[O+])C#[O+] MOL22666
-CC1=CCC2C(=O)C3=C4C5=C(C12)[Fe]345(C#[O+])(C#[O+])C#[O+] MOL22667
-O=C1C2=C3C4=C(C5C1CCC5C1OCCO1)[Fe]234(C#[O+])(C#[O+])C#[O+] MOL22668
-COc1cc(Cl)cc(O)c(=O)c1OC MOL22669
-CSc1cnc2ccccc2c1Sc1c[nH]c2ccccc2c1=O MOL22670
-CSc1cnc2ccccc2c1Sc1cn(C)c2ccccc2c1=O MOL22671
-CNC=C(c1ccc(OC)cc1)C(O)c1ccc(OC)c(OC)c1 MOL22672
-COc1ccc(C(O)C(=Cn2ccnc2)c2ccccc2)cc1OC MOL22673
-COc1cc2c(cc1OC)C(N(C)C)C(c1ccccc1)=C2Cl MOL22674
-COc1ccc(C(=Cn2ccnc2)C(O)c2ccc(OC)c(OC)c2)cc1OC MOL22675
-CNC=C(C(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 MOL22676
-CC(C)=C1C2C(C13C(=O)OC(C)(C)OC3=O)C2(C)C MOL22677
-Nc1c(Cl)ncnc1Nc1ccc(Cc2ccc(Nc3ncnc(Cl)c3N)cc2)cc1 MOL22678
-CCCCNS(=O)(=O)c1ccc(-c2ccc3c(c2)-c2ccc(S(=O)(=O)NCCCC)cc2S3(=O)=O)cc1 MOL22679
-COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)NC3C(CCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)SCC32)cc1 MOL22680
-O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)C=Cc1ccc(O)c(O)c1 MOL22681
-COc1ccc(-c2cc(=O)c3c(O)c(O)c(OC)cc3o2)cc1O MOL22682
-O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21 MOL22683
-CC1OC(OC2C(Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)OC(CO)C(O)C2O)C(O)C(O)C1O MOL22684
-CC(C)(O)C(O)COc1c2c(cc3oc(=O)ccc13)OCO2 MOL22685
-CCOC(=O)C(C(=O)OCC)S(C)(=O)=O MOL22686
-CCOC(=O)CC(=O)Sc1ccccc1 MOL22687
-COC(=O)CC(=O)OSc1ccccc1 MOL22688
-C=CCCCC12CCCc3cccc(c31)NC2=O MOL22689
-C=CCCCC12CCCc3cccc(c31)NC2=S MOL22690
-CCCn1ccc(=O)c(O)c1C MOL22691
-CC(=O)C(CN1C(=O)c2ccccc2C1=O)C(C)=O MOL22692
-C=CCCCN1CCCCC1=S MOL22693
-C=CCCCN1CCCC(C)C1=S MOL22694
-C=CCCCC1CCCNC1=O MOL22695
-C=CCCCC1CCCNC1=S MOL22696
-CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)c2ccccc2C1=O MOL22697
-C=CCCC1(C)CCCNC1=S MOL22698
-C=CCCCC1(C)CCNC1=S MOL22699
-C=CCCC1CCCNC1=S MOL22700
-COC(=O)C1=C(C(=O)OC)C2(C3=C(C)C(=O)c4ccccc43)CCC1(C)O2 MOL22701
-CC(=O)CCC#Cc1ccccc1C(=O)C(C)=[N+]=[N-] MOL22702
-O=C1Cn2nc(C(=O)c3ccccc3C#Cc3ccccc3)c(-c3ccccc3)c2-c2ccccc21 MOL22703
-[N-]=[N+]=CC(=O)c1ccccc1C#CCCc1ccccc1 MOL22704
-C#CCCCCC#Cc1ccccc1C(=O)C=[N+]=[N-] MOL22705
-C#CCCCCC#CC1CCCC1C1=CC(=O)c2ccccc21 MOL22706
-C#Cc1ccccc1C(=O)OC MOL22707
-C#CCCCCC#Cc1ccccc1C(=O)OC MOL22708
-C=CCc1ccccc1CC1(OCC)OC(=O)c2ccccc21 MOL22709
-O=C(O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1 MOL22710
-COC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1 MOL22711
-COC(=O)CCC(=O)N1CC1C MOL22712
-C=CCOC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1 MOL22713
-C=C=C(CC(CC=C(C)C)(C(C)=O)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1 MOL22714
-CC=CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 MOL22715
-CC1CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)(S(=O)(=O)c3ccccc3)CC21 MOL22716
-O=C(CCC=C(CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 MOL22717
-CC(=O)C1(C(=O)C(=[N+]=[N-])S(=O)(=O)c2ccccc2)CC1 MOL22718
-CC(=O)CCC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1 MOL22719
-[N-]=[N+]=C(C(=O)N1CCCC1=O)S(=O)(=O)c1ccccc1 MOL22720
-O=C(CN1CCCC1=O)CS(=O)(=O)c1ccccc1 MOL22721
-CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)C2CC(C)=C(C)CC2C1O MOL22722
-CN(C(=O)C1(C(=O)C=[N+]=[N-])CC1)c1ccccc1 MOL22723
-[N-]=[N+]=C(C(=O)CN1CCCC1=O)S(=O)(=O)c1ccccc1 MOL22724
-C=CCCC1(CCP(=O)(c2ccccc2)c2ccccc2)OCCO1 MOL22725
-C=CCCC(CCC=C)(C(=O)O)C(=O)O MOL22726
-C=CCOCCC(CC=C)C(=O)CC(=O)OC MOL22727
-COC(=O)C12CCC(CC1=O)C2(C)C MOL22728
-COC(=O)C(CCCC1(c2ccccc2)OCCO1)C(C)=O MOL22729
-COC(=O)C(CCC1(C)OCCO1)C(C)=O MOL22730
-[N-]=[N+]=CC(=O)C1(C(=O)C=[N+]=[N-])CC1 MOL22731
-COC(=O)C(CCC1(C)OCCO1)=[N+]=[N-] MOL22732
-C=CCOCCCC(=O)C(=[N+]=[NH2+])C(=O)OC MOL22733
-CCOC(=O)C=C1CCC2(CC1)OCCO2 MOL22734
-[N-]=[N+]=C(C(=O)C(=[N+]=[N-])C(=O)c1ccccc1)C(=O)c1ccccc1 MOL22735
-C=CCOCCCCC(C(C)=O)C(=O)OC MOL22736
-COC(=O)C1=C(C(=O)OC)C23CC4CCC2(C(=O)C1O3)C4(C)C MOL22737
-CC(C)(C)[Si](C)(C)OCCc1ccccc1C1CC2(S(=O)(=O)c3ccccc3)ON1CC2S(=O)(=O)c1ccccc1 MOL22738
-CC(C)(C)[Si](C)(C)OCCC1CC2(S(=O)(=O)C3=CC=C=C=C3)ON1CC2S(=O)(=O)c1ccccc1 MOL22739
-CC(C)(C)[Si](C)(C)OCCCCC1CC2(S(=O)(=O)C3=CC=C=C=C3)ON1CC2S(=O)(=O)c1ccccc1 MOL22740
-C=C=C(Sc1ccccc1)C(C)(C)OC(C)=O MOL22741
-C=C=C(Sc1ccccc1)C(C)(C)O MOL22742
-CCCCCCCOc1ccc(C=Cc2cc[n+](CCCCCCCC[n+]3ccc(C=Cc4ccc(OCCCCCCC)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1 MOL22743
-CC(=C(C)c1cc[n+](C)cc1)c1cc[n+](C)cc1.[I-] MOL22744
-OC1CCCCC1C1CCCC(C2CCCCC2O)C1O MOL22745
-O=C1CCCCC1C1CCCC(C2CCCCC2=O)C1=O MOL22746
-O=S1Cc2nc3ccccc3n2C1c1c(F)cccc1F MOL22747
-Cc1nc(-c2cccnc2)sc1C(=O)CC(=O)C(=O)Nc1cccc(NC(=O)C(=O)CC(=O)c2sc(-c3cccnc3)nc2C)n1 MOL22748
-O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1c(O)c2ccccc2oc1=O MOL22749
-CCc1cc(Cc2cc(CC)c(NC(=O)C(=O)CC(=O)c3sc(-c4cccnc4)nc3C)c(CC)c2)cc(CC)c1NC(=O)C(=O)CC(=O)c1sc(-c2cccnc2)nc1C MOL22750
-CCCCOC(=O)C(=O)C(CCC(=O)c1ccc(C)cc1)C(=O)C=C(C)C MOL22751
-NC(=S)NN=C(C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1)C1C(=O)NC(=S)NC1=O MOL22752
-Cc1ccc(NC(=O)C(Cc2cc(=O)oc3cc(O)ccc23)=NNC(C)(C)C)cc1C MOL22753
-Cc1ccc2nc(NC(=O)C(Cc3nc4ccc(Cl)cc4nc3O)=NNC(C)(C)C)sc2c1 MOL22754
-O=C(C=Cc1ccccc1)CCC1C(=O)NC(=S)NC1=O MOL22755
-C=C1NC(=O)C(CC(C(=O)C(=O)Nc2c(C)cccc2C(C)(C)C)C(=O)c2ccc3ccccc3c2)C(=O)N1 MOL22756
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccccc1C(N)=O)c1nc2ccc(Cl)cc2nc1O MOL22757
-Cc1ccc(NC(=O)C(=NNC(N)=O)c2c(O)nc3ccccc3c2O)cc1 MOL22758
-COc1ccccc1NC(=O)C(=O)Cc1cnc2ccccc2n1 MOL22759
-O=C1NC(=O)C(CCC(=O)c2cccc3ccccc23)C(=O)N1 MOL22760
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2nc1O MOL22761
-CCOC(=O)C(=O)C(CCC(=O)c1ccc2ccccc2c1O)C(=O)OCC MOL22762
-O=C(C=Cc1ccccc1)CCC1C(=O)c2ccccc2C1=O MOL22763
-CC(C)(C)NN=C(C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2nc1O MOL22764
-CCOc1ccc2nc(NC(=O)C(CC(=O)CC(C3=C(O)c4ccccc4CC3=O)c3ccccc3)=NO)sc2c1 MOL22765
-O=C(CC(=NO)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL22766
-CC1(C)CC2=C(Sc3ccccc3N2)C(=O)C1C(=O)C(=O)Nc1cc(Cl)ccc1Cl MOL22767
-COC(=O)c1ccccc1NC(=O)C(=NNC(C)(C)C)C(C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 MOL22768
-O=C(C=Cc1c(O)nc2ccccc2c1O)CC(=O)C(=O)Nc1cccc(O)c1 MOL22769
-COc1ccc(NC(=O)C(=NNC(=O)C[n+]2ccccc2)c2c(O)c3ccc(O)cc3oc2=O)c([N+](=O)[O-])c1.[Cl-] MOL22770
-COc1ccc(NC(=O)C(=NNC(N)=S)C2C(=O)NC(=S)NC2=O)c(OC)c1 MOL22771
-Cc1cc(NC(=O)C(=O)Cc2cnc3ccccc3n2)c(S(=O)(=O)O)cc1Cl MOL22772
-CC(C)(C)NN=C(Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O)C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O MOL22773
-O=C(C=Cc1ccccc1)CCC1C(=O)NC(=O)NC1=O MOL22774
-CC(C)(C)NN=C(C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)C1C=CCS1(=O)=O MOL22775
-CC1(C)CC2=C(Sc3ccccc3N2)C(=O)C1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 MOL22776
-O=C(Nc1ccc(Cl)cc1)C(=O)C1=C(O)c2ccccc2OC1 MOL22777
-O=C(Nc1cccc(NC(=O)C(=O)C2CCC3=C(Sc4ccccc4N3)C2=O)n1)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O MOL22778
-COc1ccc(NC(=O)C(=O)C(CC2C(=O)NC(=S)NC2=O)C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 MOL22779
-NC(=O)NN=C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)Nc1ccc(Cl)cc1Cl MOL22780
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc(OC)c1)c1nc2ccc(Cl)cc2nc1O MOL22781
-CC1(C)CC(=O)C(CC(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(=O)c2ccco2)C(=O)C1 MOL22782
-O=C(C[n+]1ccccc1)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.[Cl-] MOL22783
-Cc1ccccc1NC(=O)C(=O)Cc1cnc2ccccc2n1 MOL22784
-Cc1cccc(C(C)(C)C)c1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL22785
-CC1(C)CC(=O)C(CC2C(=O)c3ccccc3C2=O)C(=O)C1C(=O)C(=O)Nc1cccc2ccc(O)cc12 MOL22786
-C[Si]1(C)C(c2ccccc2)=CC2C(c3ccccc3)(c3ccccc3)OC21c1ccccc1 MOL22787
-CS(=O)(=O)CSCSSCS(C)(=O)=O MOL22788
-COc1cc2c(cc1OC)C1(c3ccccc3)ON=C(c3ccccc3)N1CS2 MOL22789
-COc1cc2c(cc1OC)C1(c3ccc(Cl)cc3)ON=C(c3ccccc3)N1CS2 MOL22790
-c1ccc(C2=NOC3(c4ccccc4)SC4CCCCC4CN23)cc1 MOL22791
-O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1[N+](=O)[O-] MOL22792
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCn1ccnc1[N+](=O)[O-] MOL22793
-O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cnc([N+](=O)[O-])c1 MOL22794
-c1cc2ccc1C1NCCCN1CCN1CCCNC1c1ccc(cc1)C1NCCCN1CCN1CCCNC21 MOL22795
-O=C1C(=Cc2ccccc2)CCCCC1=Cc1ccccc1 MOL22796
-Cl.O=C1C(CN(Cc2ccccc2)Cc2ccccc2)CCCC1CN(Cc1ccccc1)Cc1ccccc1 MOL22797
-CN(C)CC1CCCCCCCCCCCCC(CN(C)C)C1=O.Cl MOL22798
-CN(C)CC1CCCCCCCCCC(CN(C)C)C1=O.Cl MOL22799
-Cl.O=C1C(CN2CCOCC2)CCCC1CN1CCOCC1 MOL22800
-CN(C)CC1CCCCC(CN(C)C)C1=O.Cl MOL22801
-CN(C)CC1CCCCCC(CN(C)C)C1=O.Cl MOL22802
-Cc1cn(C2CC(Sc3ccccn3)C(CO)O2)c(=O)[nH]c1=O MOL22803
-Cc1cn(C2CC(Sc3c[nH]nn3)C(CO)O2)c(=O)[nH]c1=O MOL22804
-COCc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O MOL22805
-[N-]=[N+]=NC1CC(n2cc(CO)c(=O)[nH]c2=O)OC1CO MOL22806
-COCc1cn(C2CC(F)C(CO)O2)c(=O)[nH]c1=O MOL22807
-O=c1[nH]c(=O)n(C2CC(F)C(CO)O2)cc1CO MOL22808
-COc1cc2c(OC)cc1CSCc1sc(C)c(c1Br)CSC2 MOL22809
-C1=NN2C(=NC3=C(Cc4ccccc43)C2c2ccccc2)N1 MOL22810
-COc1c(OC)c(N)c2cc(C)c(=O)c(C)cc2c1N MOL22811
-COC1=C(OC)C(=O)c2cc(C)c(=O)c(C)cc2C1=O MOL22812
-O=C1C(Br)=C(Br)C(=O)c2ccc(=O)ccc21 MOL22813
-COC(=O)c1cc2cc(OC)c(OC)cc2cc(C(=O)OC)c1=O MOL22814
-O=C1c2cnccc2Cc2cccc3c2N1c1ccccc1S3 MOL22815
-COC(=O)c1cc2ccccc2c2nc3ccccc3c(Cl)c12 MOL22816
-COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1[nH]c1ccc(NC3OC(CO)C(O)C(O)C3O)cc12 MOL22817
-COc1ccc2c(C)c(CNc3ccccc3)c(=O)oc2c1OC MOL22818
-CC1NCC(O)C(O)C1O MOL22819
-CC(=O)Nc1ccc(C=Cc2ccc(N=C=S)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL22820
-Cc1noc(N=C2C=C(Nc3onc(C)c3C)C(=O)c3ccccc32)c1C MOL22821
-Cc1cnoc1N=C1C=C(Nc2oncc2C)C(=O)c2ccccc21 MOL22822
-Cc1cc(N=C2C=C(Nc3cc(C)on3)C(=O)c3ccccc32)no1 MOL22823
-CNS(=O)(=O)NNS(=O)(=O)c1ccc(Br)cc1 MOL22824
-CS(=O)(=O)NNS(=O)(=O)c1ccc(Br)cc1 MOL22825
-CS(=O)(=O)NNS(=O)(=O)c1ccc2ccccc2c1 MOL22826
-CCCCCC(C=CC1C2CC(=O)OC2CC1N1CCOCC1)OC1CCCO1 MOL22827
-CC1c2c(cc(O)n(Cc3ccccc3)c2=O)C(=O)N1C MOL22828
-CC1c2c(cc(O)n(Cc3ccccc3)c2=O)C(=O)N1Cc1ccccc1 MOL22829
-CCCN1C(=O)c2cc(O)n(Cc3ccccc3)c(=O)c2C1C MOL22830
-CCCCN1C(=O)c2cc(O)nc(O)c2C1C MOL22831
-CCCN1C(=O)c2cc(O)nc(O)c2C1C MOL22832
-N=C(N)CCNC(=O)c1c[nH]c2nc(N)nc(O)c12 MOL22833
-CCCN1CN(C(C(=O)NC2C(=O)N3C(C(=O)O)=C(C)CSC23)c2ccc(O)cc2)CSC1=S MOL22834
-CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(c3ccc(O)cc3)N3CSC(=S)N(C(C)C)C3)C2SC1 MOL22835
-CCCN1CN(C(C(=O)NC2C(=O)N3C(C(=O)O)=C(C)CSC23)c2ccccc2)CSC1=S MOL22836
-CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(c3ccccc3)N3CSC(=S)N(C(C)C)C3)C2SC1 MOL22837
-CCCN1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)CSC1=S MOL22838
-CC(C)N1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)CSC1=S MOL22839
-CCCN1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccc(O)cc2)CSC1=S MOL22840
-CC(C)N1CN(C(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccc(O)cc2)CSC1=S MOL22841
-O=C(C=Cc1ccccc1)CCc1c(O)c2ccccc2oc1=O MOL22842
-Cc1cccc(C)c1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=NNC(N)=O MOL22843
-COc1ccccc1NC(=O)C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=NNC(=O)C[N+](C)(C)C.[Cl-] MOL22844
-Cc1ccc(NC(=O)C(Cc2cc(=O)oc3cc(O)ccc23)=NNC(=O)C[N+](C)(C)C)cc1C.[Cl-] MOL22845
-O=C1NC(=O)C(CC2CCCCCCCCCCC2=O)C(=O)N1 MOL22846
-C=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(=NNC(N)=S)c2ccccc2o1 MOL22847
-COc1ccc(C(=O)C(CC2C(=O)CC(C)(C)C(C(=O)C(=O)Nc3c(C)cccc3C)C2=O)c2ccc(OC)cc2)cc1 MOL22848
-COc1ccc(NC(=O)C(CC2=Nc3ccc([N+](=O)[O-])cc3NC2O)=NNC(=O)C[N+](C)(C)C)c(OC)c1.[ClH2+] MOL22849
-NC(=S)NN=C(Cc1nc2ccc(Cl)cc2nc1O)C(=O)Nc1ccc(Cl)cc1 MOL22850
-Cc1ccc(NC(=O)C(Cc2nc3ccc([N+](=O)[O-])cc3nc2O)=NNC(=O)C[n+]2ccccc2)c(C)c1.[Cl-] MOL22851
-NC(=S)NN=c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])oc2ccccc12 MOL22852
-C[N+](C)(C)CC(=O)NN=C(CC(=O)CC(C1=C(O)c2ccccc2OC1)c1ccccc1)C(=O)Nc1cccc(Cl)c1.[Cl-] MOL22853
-O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)c1c(O)c2ccccc2oc1=O MOL22854
-Cc1cccc(C)c1NC(=O)C(CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=NO MOL22855
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(Cl)cc1Cl)c1nc2ccc(Cl)cc2nc1O MOL22856
-CC1(C)CC(=O)C(CCC(=O)C=Cc2ccccc2)C(=O)C1 MOL22857
-Cc1ccc(C(=O)CCC2C(=O)CC(C)(C)CC2=O)cc1 MOL22858
-Cc1ccc(NC(=O)C(CC2Nc3c(ccc4c3C(=O)c3ccccc3C4=O)NC2O)=NNC(C)(C)C)cc1 MOL22859
-CC1(C)CC2=C(SC3C=CC=CC3N2)C(=O)C1C(=O)C(N)=O MOL22860
-Cc1cc(Cl)ccc1NC(=O)C(CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=NO MOL22861
-CCCCOC(=O)C(=O)C(CC(C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C MOL22862
-COC(=O)C(=O)C(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2nc1O MOL22863
-Cc1cc(Cc2cc(C)c(NC(=O)C(=O)C3CCC4=C(SC5C=CC=CC5N4)C3=O)c(C(C)C)c2)cc(C(C)C)c1NC(=O)C(=O)C1CCC2=C(SC3C=CC=CC3N2)C1=O MOL22864
-COC(=O)C(=O)C(C(=O)C(=O)Nc1ccc(C)cc1C)c1nc2ccc(Cl)cc2nc1O MOL22865
-C[N+](C)(C)CC(=O)NN=C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1.[Cl-] MOL22866
-NC(=O)NN=C(Cc1cc(=O)oc2cc(O)ccc12)C(=O)Nc1ccccc1C(N)=O MOL22867
-Cc1cc(Br)cc(C)c1NC(=O)C(=O)C1C(=O)C(CC2C(=O)c3ccccc3C2=O)C(=O)CC1(C)C MOL22868
-O=C(C[n+]1ccccc1)NN=C(C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)c1c(O)c2ccc(O)cc2oc1=O.[Cl-] MOL22869
-O=C1NC(=O)C(CC(C(=O)C(=O)Nc2ccccc2Cl)C(=O)c2ccc3ccccc3c2)C(=O)N1 MOL22870
-CCOc1ccc2nc(NC(=O)C(=O)C3C(=O)C(CC4C(=O)c5ccccc5C4=O)C(=O)CC3(C)C)sc2c1 MOL22871
-Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C1CCC2=C(Sc3ccccc3N2)C1=O MOL22872
-CC(C)c1cccc(C(C)C)c1NC(=O)C(CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O)=NO MOL22873
-Cc1ccc(NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)NC2C=CC=CC2S3)c(C)c1 MOL22874
-Cc1nc(C(N)=S)sc1C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(C)(C)C MOL22875
-C=C(Nc1nc2ccc(C)cc2s1)C(=O)C(CC)C(=O)C(CC)CC1C(=O)NC(=O)NC1=O MOL22876
-CCCCOC(=O)C(=O)C(CC(CC)C(=O)c1ccccc1)C(=O)C=C(C)C MOL22877
-Cc1ccc(C)c(NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)Nc2ccccc2S3)c1 MOL22878
-COC(=O)C(=NNC(N)=O)C(C(=O)C(=O)Nc1ccc(C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22879
-COC(=O)C(=NN)C(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O MOL22880
-Cc1nc(C(N)=S)sc1C(CC(=O)C(=O)Nc1cccc2ccc(O)cc12)=NNC(=O)c1ccncc1 MOL22881
-COc1ccc(CCN2C(=O)C(=O)c3ccccc32)cc1OC MOL22882
-CC(C)c1cc(C2=[O+][Cu-5]345([OH+]C(c6cc(C(C)C)cc(C(C)C)c6O)=[O+][Mn+2]6(Oc7c(cc(C(C)C)cc7C(C)C)C(=[O+]6)[OH+]3)[O+]=C(c3cc(C(C)C)cc(C(C)C)c3O)[OH+]4)[OH+]C(c3cc(C(C)C)cc(C(C)C)c3O)=[O+][Mn+2]3(Oc4c(cc(C(C)C)cc4C(C)C)C(=[O+]3)[OH+]5)[OH+]2)c(O)c(C(C)C)c1 MOL22883
-CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1.Cl MOL22884
-CN(C(=O)C12C3C4C1C1C2C3C41I)C(C)(C)C MOL22885
-CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41I MOL22886
-O=C(CC12C3C4C1C1C2C3C41CC(=O)NO)NO MOL22887
-c1ccc(SC23C4C5C6C4C2C6C53)nc1 MOL22888
-CN(C(=O)C12C3C4C1C1C4(C(=O)C45C6C7C4C4C5C6C74C)C3C12C)C(C)(C)C MOL22889
-COC(=O)C1CCc2c1c(=O)n1c([nH]c3ccccc31)c2C#N MOL22890
-CCOC(=O)C1CCc2c1c(C#N)c1[nH]c3ccccc3n1c2=O MOL22891
-Cc1c(CCO)c(=O)n2c([nH]c3ccccc32)c1C#N MOL22892
-Cc1c(CCCl)c(Cl)n2c(nc3ccccc32)c1C#N MOL22893
-CN1C(=O)n2c(nc3ccccc32)C(N=[N+]=[N-])(N=[N+]=[N-])C1=O MOL22894
-Cn1c(=O)c(N=Nc2c(=O)n(C)c(=O)n3c2[nH]c2ccccc23)c2[nH]c3ccccc3n2c1=O MOL22895
-Cc1cccc(C2=NC(C)(C)C(C)(C)N=C2c2cccc(C)n2)n1 MOL22896
-c1ccc(C2CN=C(c3ccccn3)C(c3ccccn3)=N2)cc1 MOL22897
-CC1N=C(c2ccccn2)C(c2ccccn2)=NC1c1ccccc1 MOL22898
-c1ccc(C2N=C(c3ccccn3)C(c3ccccn3)=NC2c2ccccc2)cc1 MOL22899
-Cc1cccc(C2=NC(c3ccccc3)C(c3ccccc3)N=C2c2cccc(C)n2)n1 MOL22900
-CCOc1ccc(C2=NN(CC)C(=O)C(C3C(=O)N(c4ccccc4)N=C3C)C2)cc1 MOL22901
-COc1cc2c(cc1O)C1COc3ccccc3C1O2 MOL22902
-COc1cc2c(c(C)c1O)C1COc3ccccc3C1O2 MOL22903
-COc1ccc2c(c1)OCC1c3cc(O)c(OCc4ccccc4)cc3OC21 MOL22904
-COc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4 MOL22905
-COC1=CC(=O)C2C3COc4ccccc4C3C2C1=O MOL22906
-COC1=CC(=O)C2C(C1=O)C1c3ccccc3OC(C)(C)C21 MOL22907
-COc1ccc(C2Oc3ccc(O)cc3C2C)cc1OC MOL22908
-COc1ccc(C2Oc3cc(OC)c(O)cc3C2C)cc1 MOL22909
-COc1cc2c(cc1O)C(C)C(c1ccccc1OC)O2 MOL22910
-COc1cc2c(cc1O)C(C)C(c1ccc(OC)c(OC)c1)O2 MOL22911
-COc1cc2c(cc1O)C(C)C(c1ccc(Cl)cc1)O2 MOL22912
-COc1ccc(C2Oc3cc(OC)c(O)c(C)c3C2C)cc1 MOL22913
-COc1ccc(C2Oc3c(cc(O)c(OC)c3C)C2C)cc1OC MOL22914
-COc1ccc(C2C(C)C3C(=O)C=CC(=O)C32)cc1OC MOL22915
-COC1=CC(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O MOL22916
-COC1=CC(=O)C2C(C)C(c3ccc(Cl)cc3)C2C1=O MOL22917
-COC1=CC(=O)C2C(C)C(c3ccccc3)C2C1=O MOL22918
-COC1=C(C)C(=O)C2C(C)C(c3ccc(OC)c(OC)c3)C2C1=O MOL22919
-COC1=CC(=O)C2C(C)C(c3ccccc3)C2(C)C1=O MOL22920
-COC1=CC(=O)C2(C)C(C)C(c3ccccc3)C2C1=O MOL22921
-COC1=CC(=O)C2(C)C(C1=O)C(C)C2c1ccccc1 MOL22922
-COC1=CC(=O)C2(C)C(C1=O)C(C)C2c1ccc(OC)cc1 MOL22923
-COC1=CC(=O)C2C3Cc4ccccc4C3C2C1=O MOL22924
-COC1=CC(=O)C2C3Cc4ccccc4C3C2(C)C1=O MOL22925
-CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccc(C)cc1 MOL22926
-CC1C2C=C(O)C(=O)C(C2=O)C1c1ccccc1 MOL22927
-CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccccc1 MOL22928
-CC1=C(O)C(=O)C2C(=O)C1C(C)C2c1ccc(Cl)cc1 MOL22929
-CC1=C(O)C(=O)C2C(=O)C1C1Cc3ccccc3C21 MOL22930
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccccc1 MOL22931
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccccc1O MOL22932
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cccc(O)c1 MOL22933
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cccc([N+](=O)[O-])c1 MOL22934
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccc([N+](=O)[O-])cc1 MOL22935
-COc1ccccc1C1C(Cl)C(=O)N1NC(=O)Cc1ccccc1 MOL22936
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL22937
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccc(O)cc1 MOL22938
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccccc1Cl MOL22939
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1ccc(Cl)cc1 MOL22940
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)cc1OC MOL22941
-COc1cc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)ccc1O MOL22942
-COc1cc(C2C(Cl)C(=O)N2NC(=O)Cc2ccccc2)cc(Br)c1O MOL22943
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cc(Br)cc(Br)c1O MOL22944
-O=C(Cc1ccccc1)NN1C(=O)C(Cl)C1c1cc(Br)ccc1O MOL22945
-O=C1C(Cl)C(c2ccccc2)N1n1cnc2ccccc2c1=O MOL22946
-O=C1C(Cl)C(c2ccccc2O)N1n1cnc2ccccc2c1=O MOL22947
-O=C1C(Cl)C(c2cccc(O)c2)N1n1cnc2ccccc2c1=O MOL22948
-O=C1C(Cl)C(c2ccc(O)cc2)N1n1cnc2ccccc2c1=O MOL22949
-O=C1C(Cl)C(c2cccc([N+](=O)[O-])c2)N1n1cnc2ccccc2c1=O MOL22950
-O=C1C(Cl)C(c2ccc([N+](=O)[O-])cc2)N1n1cnc2ccccc2c1=O MOL22951
-COc1ccccc1C1C(Cl)C(=O)N1n1cnc2ccccc2c1=O MOL22952
-COc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 MOL22953
-O=C1C(Cl)C(c2ccccc2Cl)N1n1cnc2ccccc2c1=O MOL22954
-O=C1C(Cl)C(c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O MOL22955
-COc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC MOL22956
-COc1cc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O MOL22957
-O=C1C(Cl)C(c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O MOL22958
-O=C1C(Cl)C(c2cc(Br)cc(Br)c2O)N1n1cnc2ccccc2c1=O MOL22959
-Cc1ccc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 MOL22960
-COc1cc(C2C(Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC MOL22961
-CC1(C)C2C=CC1C(=O)CC2 MOL22962
-CC1(C)C2CCC3(OCCO3)C1C(O)C2 MOL22963
-NC(=O)CN(CC(N)=O)C(N)=O MOL22964
-CNC(=O)CN(CC(N)=O)C(=O)NC MOL22965
-CNC(=O)CN(CC(N)=O)C(N)=O MOL22966
-CNC(=O)CN(CC(=O)NC)C(=O)NC MOL22967
-CNC(=O)CN(CC(=O)O)C(=O)NC MOL22968
-CNC(=O)CN1CC(=O)N(C)C(=O)C1 MOL22969
-O=Cc1ccccc1OCCOc1cc(OCCOc2ccccc2C=O)c(OCCOc2ccccc2C=O)cc1OCCOc1ccccc1C=O MOL22970
-COc1ccc(NC(=S)c2ccoc2C)cc1CC(=O)OC(C)C MOL22971
-C=C(C)COc1cc(NC(=S)OC(C)C)ccc1Cl MOL22972
-Cc1occc1C(=S)Nc1ccc(Cl)c(C=NOC2CCCC2)c1 MOL22973
-C=CCOc1cc(NC(=S)c2ccoc2C)ccc1OC MOL22974
-CC=CCOc1cc(NC(=S)c2ccoc2C)ccc1OC MOL22975
-Cc1noc(C)c1CCCOC1COc2ccccc2OCCOCCOc2ccccc2OC1 MOL22976
-CC1(C)COC(c2c(-c3ccccc3)noc2CS(=O)c2ccccc2)=N1 MOL22977
-CCOC(=O)C1C(c2ccc(Cl)cc2Cl)NC(c2ccc(C)cc2)C(C(=O)OC)S1(=O)=O MOL22978
-CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)NC(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)S1(=O)=O MOL22979
-CCOC(=O)C1C(c2ccc(Br)cc2)N(Cc2ccccc2)C(c2ccc(Br)cc2)C(C(=O)OC)S1(=O)=O MOL22980
-CSC1CC2C(CC1(C)SC)C2(C)C MOL22981
-COc1cc2c(cc1OC)C(C(CO)CO)N(CC(O)CCl)CC2 MOL22982
-COc1cc2c(cc1OC)C(C(CBr)CBr)N(C1CCCC1)CC2 MOL22983
-O=C1NC2OC(CO)C(O)C2O1 MOL22984
-COC(=O)c1c(-c2ccccc2)c(C(O)c2ccccc2)n2ccccc12 MOL22985
-CCOC(=O)c1c(-c2ccccc2)c(C(OC(c2ccccc2)c2c(-c3ccccc3)c(C(=O)OCC)n3ccccc23)c2ccccc2)c2ccccn12 MOL22986
-CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C1c1ccccc1 MOL22987
-CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1c1ccccc1 MOL22988
-CCOC(=O)C1(C#N)C(c2ccccc2)CC(O)(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)C1c1ccccc1 MOL22989
-COCOC1CCCCC1(OCCOCCOC1(c2ccccc2)CCCCC1OCOC)c1ccccc1 MOL22990
-O=c1cnn(C2OC(CO)C(F)C2F)c(=O)[nH]1 MOL22991
-N=c1cnn(C2OC(CO)C(F)C2F)c(=O)[nH]1 MOL22992
-COc1ncnc2c1ncn2C1OC(CO)CC1F MOL22993
-COc1cccc2c1c1ccc3c(c1n2C)C(=O)C=CC3=O MOL22994
-CCCCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O MOL22995
-c1ccc2c3c([nH]c2c1)C1(CCCCC1)c1c([nH]c2ccccc12)C31CCCCC1 MOL22996
-CC(C)(C)C1CCC2(CC1)c1[nH]c3ccccc3c1C1(CCC(C(C)(C)C)CC1)c1[nH]c3ccccc3c12 MOL22997
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL22998
-CCn1c2c(c3ccccc31)C(c1ccc(Cl)cc1)CC1C(=O)N(c3ccccc3)C(=O)C21 MOL22999
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(Br)cc4)C(=O)C3C2C1 MOL23000
-CSc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL23001
-CC(C)(C)C1CCC2c3c([nH]c4ncccc34)C3C(=O)N(c4ccccc4)C(=O)C3C2C1 MOL23002
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCC4C3C2=O)cc1 MOL23003
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C)CC4C3C2=O)cc1 MOL23004
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCC4C3C2=O)cc1 MOL23005
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCCCCC4C3C2=O)cc1 MOL23006
-COc1ccc(C2CC3C(=O)N(c4ccc(OC)cc4)C(=O)C3c3[nH]c4ccccc4c32)cc1 MOL23007
-COc1ccc(N2C(=O)C3CC(c4ccc(C)cc4)c4c([nH]c5ccccc45)C3C2=O)cc1 MOL23008
-COc1ccc(N2C(=O)C3CC(c4ccc(Br)cc4)c4c([nH]c5ccccc45)C3C2=O)cc1 MOL23009
-CCn1c2c(c3ccccc31)C(c1ccccc1)CC1C(=O)N(c3ccccc3)C(=O)C21 MOL23010
-CCn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)N(c1ccccc1)C3=O MOL23011
-CCOC(=O)C1Cc2[nH]c3ccccc3c2C(C)C1C MOL23012
-O=C(O)C1Cc2[nH]c3ccccc3c2C2CCCC12 MOL23013
-COC(=O)c1cc(CC(C)C)c2c(c1)[nH]c1ccccc12 MOL23014
-O=C(O)c1nn(-c2ccccn2)c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)nn(-c4ccccn4)c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[MgH2].[NaH] MOL23015
-O=C(O)c1ccccc1-n1nc(C(=O)O)c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(C(=O)O)nn(-c5ccccc5C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[Cu].[NaH] MOL23016
-O=C(O)c1ccccc1-n1nc(C(=O)O)c(N=Nc2ccc(C=Cc3ccc(N=Nc4c(C(=O)O)nn(-c5ccccc5C(=O)O)c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1O.[Na+] MOL23017
-Cc1cc(=O)c2c(O)cc3c(c2o1)CC=C(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CO3 MOL23018
-O=c1cc(CO)oc2c3c(cc(O)c12)OCC(COC1OC(CO)C(O)C(O)C1O)=CC3 MOL23019
-CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(O)C(O)C(Nc2ncnc3nc[nH]c23)OC1C(O)CO MOL23020
-CCCCCCCCCCCC1CC(=O)NCCCN(C)CCCCN(C)CCCN1C MOL23021
-C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)C(OC(C)=O)C(C)(O)C1C(OC(C)=O)C=C(C)C21 MOL23022
-O=CNC=Cc1cc(O)ccc1O MOL23023
-CC(C)OP(=S)(NC(=S)c1ccccc1)OC(C)C.[NaH] MOL23024
-CC(C)OP(=O)(NC(=S)c1ccccc1)OC(C)C MOL23025
-Br.CCN1CCC(O)(c2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)C1 MOL23026
-Br.O=C1C(CN2CCCCC2)CCCC1CN1CCCCC1 MOL23027
-CCN(CC)CCC(=O)c1ccc(Cl)cc1.Cl MOL23028
-CCN(CC)CCC(=O)c1ccc(OC)cc1.Cl MOL23029
-CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1O)Nc1ccccc14)C32 MOL23030
-CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1ncnc5c1ncn5C1OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O)Nc1ccccc14)C32 MOL23031
-CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1Nc1ccn(C5OC(COC(C)=O)C(OC(C)=O)C5OC(C)=O)c(=O)n1)Nc1ccccc14)C32 MOL23032
-CC1CC(O)C2(O)OC3CC4(C=O)C(CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1 MOL23033
-CC(C)=CCC1=C(O)C(C(=O)C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O MOL23034
-N#CC(=Cc1ccc2[nH]ccc2c1)C(=O)NCCCCNC(=O)C(C#N)=Cc1ccc2[nH]ccc2c1 MOL23035
-N#CC(=Cc1ccc(O)c(O)c1)C(N)=C(C#N)C#N MOL23036
-N#CC(=Cc1cc(O)c(O)c(Br)c1)C(N)=C(C#N)C#N MOL23037
-COc1cc(C=C(C#N)C(N)=C(C#N)C#N)cc(O)c1O MOL23038
-O=C1CSC(C(=Cc2ccccc2)c2nc3ccccc3[nH]2)=N1 MOL23039
-O=C1CSC(C(N=Nc2ccccc2)=C2Nc3ccccc3N2)=N1 MOL23040
-N#CC1=C(N)N2C(=O)C(=Cc3ccccc3)SC2C(c2nc3ccccc3[nH]2)=C1c1ccccc1 MOL23041
-Oc1ncnc2c1sc(=S)n2-c1ccccc1 MOL23042
-C=CCn1c(=S)sc2c(O)ncnc21 MOL23043
-S=c1sc2c(n1-c1ccccc1)N=CNC2S MOL23044
-C=CCn1c2c(sc1=S)C(S)NC=N2 MOL23045
-CSC1NC=Nc2c1sc(=S)n2-c1ccccc1 MOL23046
-S=c1sc2c(Cl)ncnc2n1-c1ccccc1 MOL23047
-[N-]=[N+]=Nc1ncnc2c1sc(=S)n2-c1ccccc1 MOL23048
-Nc1ncnc2c1sc(=S)n2-c1ccccc1 MOL23049
-OCCN(CCO)c1ncnc2c1sc(=S)n2-c1ccccc1 MOL23050
-Oc1nc(S)nc2c1sc(=S)n2-c1ccccc1 MOL23051
-S=c1sc2c(S)nc(S)nc2n1-c1ccccc1 MOL23052
-S=c1sc2c(Cl)nc(Cl)nc2n1-c1ccccc1 MOL23053
-COc1cccc(C(C=O)=C(Cl)c2ccc(OC)c(OC)c2)c1 MOL23054
-COc1cccc(C(Cl)=C(C=O)c2cccc(OC)c2)c1 MOL23055
-CCOc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OCC MOL23056
-CCCOc1ccc(C(Cl)=C(C=O)c2ccc(OC)c(OC)c2)cc1OCCC MOL23057
-COc1ccc(C(Cl)=C(C=NO)c2ccc(OC)c(OC)c2)cc1OC MOL23058
-COc1ccc(-c2cnoc2-c2ccc(OC)c(OC)c2)cc1OC MOL23059
-COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2OC)cc1OC MOL23060
-COc1ccc(C=C2C(=O)Nc3ccccc32)cc1OC MOL23061
-COc1ccc(C=C2C(=O)NC(=O)c3ccccc32)cc1OC MOL23062
-ClCC1(CCl)COC1 MOL23063
-CC1(C)OCC(CO)(CO)CO1 MOL23064
-CC1(CO)COC(C)(C)OC1 MOL23065
-CC1(CO)COS(=O)OC1 MOL23066
-CS(=O)(=O)OCC(CCl)(CCl)CCl MOL23067
-CCOC(=O)C(COS(C)(=O)=O)(COS(C)(=O)=O)C(=O)OCC MOL23068
-CCOC(=O)C1(C(=O)OCC)COS(=O)OC1 MOL23069
-CCOC(=O)C1(C(=O)OCC)CSC1 MOL23070
-C1CCC(OC2CSC2)OC1 MOL23071
-C=CCN(CCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 MOL23072
-C=CCN(CCN(CC=C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 MOL23073
-Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 MOL23074
-Cc1ccc(S(=O)(=O)N2CCCSCC2)cc1 MOL23075
-Cc1ccc(S(=O)(=O)NCCSS(=O)(=O)c2ccc(C)cc2)cc1 MOL23076
-Cc1ccc(S(=O)(=O)NCCSSCCNS(=O)(=O)c2ccc(C)cc2)cc1 MOL23077
-CCOC(=O)C1(CO)CSCCSC1 MOL23078
-CCOC(=O)C1CSCCSC1 MOL23079
-C1CSCC2(COC2)CS1 MOL23080
-Cc1ccc(S(=O)(=O)NCCSCCSCCNS(=O)(=O)c2ccc(C)cc2)cc1 MOL23081
-Cc1ccc(S(=O)(=O)NCCCSCCSCCCN)cc1 MOL23082
-Cc1ccc(S(=O)(=O)NCCCSCCN)cc1 MOL23083
-Cc1ccc(S(=O)(=O)NCCCSCCO)cc1 MOL23084
-[Cl-].c1ccc([P+](CCSCCSCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL23085
-[Cl-].c1ccc([P+](CCNCCNCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL23086
-Cl.N=C(N)SCCC(=O)CCSC(=N)N MOL23087
-Cc1ccc(S(=O)(=O)NCCSCCNS(=O)(=O)c2ccc(C)cc2)cc1 MOL23088
-OCCSCCCSCCO MOL23089
-CS(=O)(=O)OCCCSCCSCCCOS(C)(=O)=O MOL23090
-OCCCSCCCCSCCCO MOL23091
-CCSCCCN(CCCSCC)CCCSCC MOL23092
-CSCCCN(CCCSC)CCCSC MOL23093
-SCCSCCCSCCS MOL23094
-SCCCSCCSCCCSCCS MOL23095
-CCSCCCSCCSCC MOL23096
-SCC1COCC(CS)S1 MOL23097
-SCc1ccc(CS)s1 MOL23098
-OCCCSc1ccccc1SCCCO MOL23099
-CCOC(=O)CCCSCCCC1(CCCSCCCC(=O)OCC)OCCO1 MOL23100
-CCOC(=O)CCCSCCCC(=O)CCCSCCCC(=O)OCC MOL23101
-O=C1CCCSCCCC(=O)CCCSCCC1 MOL23102
-C1#CCSCC#CCSC1 MOL23103
-c1cc2sc1CSCCSCCSC2 MOL23104
-COC(=O)C1NC(C(=O)OC)C2(C(OC)OC)CCC3CCCC31C2 MOL23105
-CSC(SC)=C1Sc2cccc(Cl)c2S1 MOL23106
-COC(=O)C1=C(C(=O)OC)SC(=CC#CC=C2SC(C(=O)OC)=C(C(=O)OC)S2)S1 MOL23107
-CC1=C2N3CC(n4c(=O)n(C)c(=O)n43)C23CCC1n1c(=O)n(C)c(=O)n13 MOL23108
-Cc1ccc(O)c(C(=O)CCCC(=O)c2cc(C)ccc2O)c1 MOL23109
-c1cc2nnsc2s1 MOL23110
-CC(=O)OC1(C)CCC2C(C)C(=O)OC2C2C(C)C(O)CC21 MOL23111
-C[Ge](C)(CCC#N)Sc1ccccc1 MOL23112
-COC(=O)CC[Ge](C)(C)Sc1ccccc1 MOL23113
-COC(=O)CC(C(=O)OC)[Ge](C)(C)Sc1ccccc1 MOL23114
-C=CCc1ccc(Oc2cc(CC=C)c3c(c2O)OC(CO)C3c2ccc(O)c(-c3cc(CC=C)ccc3O)c2)cc1 MOL23115
-C=CCc1ccc(O)c(-c2cc(C3Oc4c(-c5cc(CC=C)ccc5O)cc(O)cc4C3CO)ccc2O)c1 MOL23116
-CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(OC)(C5C6O)C(C(OC(C)=O)C23)C14 MOL23117
-Oc1cccc2c1NC1=C(CCCC1=Cc1ccccc1)C2 MOL23118
-Oc1ccccc1C=Nc1ccccc1N=Cc1ccccc1O MOL23119
-ClC1=C(Cl)C(Cl)(Cl)c2c3c(c4c(c21)C(Cl)(Cl)C(Cl)=C4Cl)C(Cl)(Cl)C(Cl)=C3Cl MOL23120
-N#CCCC(C#N)(C#N)CCC#N MOL23121
-COC(=O)C(CCC#N)(CCC#N)C(=O)OC MOL23122
-O=C1CCC2(CCC(=O)NC2=O)C(=O)N1 MOL23123
-O=C1NCCCC12CCCNC2=O MOL23124
-CCCCc1c2c([n+]([O-])c3c1CCCC3)CCCC2 MOL23125
-CCCCc1c2c(nc3c1CCCC3=O)CCCC2 MOL23126
-CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2 MOL23127
-COC(=O)c1csnn1 MOL23128
-CC1(C)CC(C)(C)CC(O)(C2(O)CC(C)(C)CC(C)(C)C2)C1 MOL23129
-CC1(C)CC(C2CC(C)(C)CC(C)(C)C2O)C(O)C(C)(C)C1 MOL23130
-SCc1ccc(-c2ccc(CS)cc2)cc1 MOL23131
-Br.CCCCc1c2c(nc3c1CCCC3O)C(=Cc1ccccc1)CCC2 MOL23132
-CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=O)CCC2 MOL23133
-CCCCc1c2c(nc3c1CCCC3=O)C(=O)CCC2 MOL23134
-CCCCc1c2c(nc3c1CCCC3=Cc1ccccc1)C(=O)C(CN(C)C)CC2 MOL23135
-CCCCSC(=CC(=O)c1cccc(C(=O)C=C(SCCCC)SCCCC)n1)SCCCC MOL23136
-CN(C)C=CC(=O)c1cccc(C(=O)C=CN(C)C)n1 MOL23137
-CCCCc1c2c(nc3c1CCc1cc4c(nc1-3)-c1nc3c(c(CCCC)c1CC4)CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2 MOL23138
-CCCCc1c2c(nc3c1CCc1cc(C=O)c(N)nc1-3)C(=Cc1ccccc1)CCC2.Cl MOL23139
-CN[C+](N)NC.[Br-] MOL23140
-CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3)CCCC2 MOL23141
-CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2 MOL23142
-c1ccc2c(c1)CCc1cc3cc4c(nc3nc1-2)-c1ccccc1CC4 MOL23143
-CCCCc1c2c(nc3c1CCC(=Cc1ccccc1)C3=O)CCCC2 MOL23144
-CCCCc1c2c(nc3c1CCC(=Cc1ccc([N+](=O)[O-])cc1)C3=O)CCCC2 MOL23145
-Cc1ccc(S(=O)(=O)NCCCN(CCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 MOL23146
-COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC MOL23147
-COc1cc(CNc2ccc(C)cc2)cc(OC)c1OC.Cl MOL23148
-CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 MOL23149
-CCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl MOL23150
-CCCc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl MOL23151
-COc1cc(CNc2ccc(C(C)C)cc2)cc(OC)c1OC.Cl MOL23152
-CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 MOL23153
-CCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1.Cl MOL23154
-COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC MOL23155
-COc1cc(CNc2ccc(SC)cc2)cc(OC)c1OC.Cl MOL23156
-COc1cc(C=Cc2ccc(SC)cc2)cc(OC)c1OC MOL23157
-CCCc1ccc(N=Cc2cc(OC)c(OC)c(OC)c2)cc1 MOL23158
-COc1cc(C=Nc2ccc(C(C)C)cc2)cc(OC)c1OC MOL23159
-OC1CSCCCSCC(O)CSCCCSC1 MOL23160
-Cc1ccc(S(=O)(=O)N2CCCSCCSCCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 MOL23161
-Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CCCSCC2)cc1 MOL23162
-Cc1ccc(S(=O)(=O)N2CCSCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 MOL23163
-Cc1ccc(S(=O)(=O)N2CCCSCCSCCCSCC2)cc1 MOL23164
-c1ccc2c(c1)SCCCSCCSCCCS2 MOL23165
-Cc1ccc(S(=O)(=O)N2CCCSCCN(S(=O)(=O)c3ccc(C)cc3)CCCSCC2)cc1 MOL23166
-c1ccc2c(c1)SCCCS2 MOL23167
-c1ccc2c(c1)SCCCSCCCS2 MOL23168
-C1CSCCSCCCSC2CCCCC2SC1 MOL23169
-O=S1CCS(=O)CCS(=O)CC1 MOL23170
-C1CSCCSSC2CCCCC2SC1 MOL23171
-C1CSCC2(COC2)CSCCSCC2(COC2)CS1 MOL23172
-C1CCC2SSC3CCCCC3SSC2C1 MOL23173
-C1CSCCSCCCSC2CCCCC2SC1 MOL23174
-CC1(C)OCC2(CO1)CSCCCSCC1(COC(C)(C)OC1)CSCCCSC2 MOL23175
-Cc1ccc(S(=O)(=O)N2CCSCCSCCSCCSCC2)cc1 MOL23176
-Cc1ccc(S(=O)(=O)N2CCSCCSCCSCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 MOL23177
-OCCSCc1cc2c(O)c(c1)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)Cc1cc(CSCCO)cc(c1O)C2 MOL23178
-Cc1ccc(S(=O)(=O)N2CCSCCSCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 MOL23179
-O=C(O)CSCc1cc2c(O)c(c1)Cc1cc(CSCC(=O)O)cc(c1O)Cc1cc(CSCC(=O)O)cc(c1O)Cc1cc(CSCC(=O)O)cc(c1O)C2 MOL23180
-C1CSCC2COCC(CSCCS1)S2 MOL23181
-C1CSCCSCCS1 MOL23182
-C1CSCCSCCSCCSC1 MOL23183
-C1CSCCSCSCCS1 MOL23184
-C1CSCCSCCSCCSCCS1 MOL23185
-C1CCSCCCCSCCCCSCCCCSC1 MOL23186
-OC1CSCCSCCCSCCSC1 MOL23187
-OC1CSCCCSCCSCCCSC1 MOL23188
-C1CSCCSCCCSCCSCCCSCCSCCCSCCSC1 MOL23189
-C1CSCCCSCCSCCCSC1 MOL23190
-C1CSCCCSCCCSCCCSCCCSCCCSCCCSCCCSC1 MOL23191
-C1CSCCCSCCCSCCCSCCCSC1 MOL23192
-O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc(O)cc1 MOL23193
-O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc(Cl)cc1 MOL23194
-O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NN=Cc1ccc([N+](=O)[O-])cc1 MOL23195
-COc1ccc(C=NNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC MOL23196
-CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN MOL23197
-CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 MOL23198
-CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NN=Cc1ccc(Cl)cc1 MOL23199
-CCCNC(=S)NNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 MOL23200
-O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NNC(=S)Nc1ccccc1 MOL23201
-CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NNC(=S)Nc1ccccc1 MOL23202
-CCn1c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n[nH]c1=S MOL23203
-CC(C)C(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1n[nH]c(=S)n1-c1ccccc1 MOL23204
-CCOC(=O)CSc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1-c1ccccc1 MOL23205
-CCOC(=O)CSc1nnc(C(Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(C)C)n1-c1ccccc1 MOL23206
-CCNc1nnc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)s1 MOL23207
-c1ccc(Nc2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)s2)cc1 MOL23208
-CCn1c(SC(C)C(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)nc2ccccc2c1=O MOL23209
-Cc1c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C MOL23210
-Cc1c(-c2coc(-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C MOL23211
-Cc1c(-c2coc(-c3ccc(Cl)cc3)n2)c(=O)n(-c2ccccc2)n1C MOL23212
-Cc1c(-c2coc(-c3ccc([N+](=O)[O-])cc3)n2)c(=O)n(-c2ccccc2)n1C MOL23213
-Cc1c(C(=O)CSc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C MOL23214
-Cc1c(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(=O)n(-c2ccccc2)n1C MOL23215
-COc1ccc(C2NC3=C(CCCC3)N2)cc1 MOL23216
-O=[N+]([O-])c1ccc(C2NC3=C(CCCC3)N2)cc1 MOL23217
-O=C(O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 MOL23218
-COc1ccccc1OCc1nnc(SCC(=O)O)n1-c1ccccc1 MOL23219
-CCOC(=O)C(C)Sc1nnc(COc2ccccc2OC)n1-c1ccccc1 MOL23220
-CCOC(=O)C(C)Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL23221
-c1ccc2[nH]c(C3=NCCN3)nc2c1 MOL23222
-c1ccc2[nH]c(C3=NCCS3)nc2c1 MOL23223
-c1ccc2[nH]c(-c3nc4ccccc4o3)nc2c1 MOL23224
-c1ccc2[nH]c(-c3nc4ccccc4s3)nc2c1 MOL23225
-CCN(CC)C(=S)SCC(=O)Nc1nc2c(s1)CCCC2 MOL23226
-O=C(CSC(=S)N1CCCCC1)Nc1nc2c(s1)CCCC2 MOL23227
-O=C(CSC(=S)N1CCOCC1)Nc1nc2c(s1)CCCC2 MOL23228
-CC(C)N(C(C)C)P(OCCC#N)OC1CC(n2cnc3c(O)ncnc32)OC1COC(=O)NCCCCCCNC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1 MOL23229
-C1=c2ccccc2=C2C(=C(c3ccccc3)C(c3ccccc3)=NN2c2ccccc2)S1 MOL23230
-COP1(OC)=[S+][Fe-4]23([S+]=P(OC)(OC)[SH+]2)([S+]=P(OC)(OC)[SH+]3)[SH+]1 MOL23231
-CCCCCC#COC1CC(C)CCC1C(C)C MOL23232
-CC(OC1CC(=O)CC2C(=O)C=CC(=O)C12)c1ccccc1 MOL23233
-COc1ccc(CCCN2c3ccccc3Sc3ccccc32)cc1 MOL23234
-COC1=CC(=O)c2c(cc3c(c2O)-c2c(OC)cc4cc5c(c(O)c4c2OC(=O)CC(C)(O)C3)C(=O)CC(C)(O)C5)C1=O MOL23235
-CC(CCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1)C1CCC2C3CCC4CCCCC4(C)C3CCC12C.N MOL23236
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL23237
-COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)NC5C)c4cc(C)cc(OC)c4c3O)c(O)c12 MOL23238
-C=CC(C)(CCC=C(C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc(C(C)(C=C)CCC=C(C)CCC=C(C)C)cc(O)c2O)c1 MOL23239
-O=[N+]([O-])c1nccn1CC1OC(n2ccnc2[N+](=O)[O-])C(O)C(O)C1O MOL23240
-O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cncc1[N+](=O)[O-] MOL23241
-CCOc1ccc(C(CN2CCOCC2)C(C)=O)cc1OC.Cl MOL23242
-[N-]=[N+]=NCC(O)Cn1cnc2c(NC(=O)c3ccccc3)ncnc21 MOL23243
-O=C(CC1C(=O)c2ccccc2C1=C1C(=O)c2ccccc2C1=O)c1ccccc1 MOL23244
-O=C1Nc2cc(F)ccc2C1=O MOL23245
-O=C1CCCCC1C1(O)C(=O)Nc2cc(F)ccc21 MOL23246
-O=C1CCCCC1=C1C(=O)Nc2cc(F)ccc21 MOL23247
-CCc1c(-c2coc(CCC(C)=Cc3ccccc3)n2)oc(OC)c(C)c1=O MOL23248
-CC(NC(=O)C(C#N)=Cc1ccc2[nH]ccc2c1)c1ccccc1 MOL23249
-N#CC(=Cc1ccc2[nH]ccc2c1)C(=O)c1ccc(O)c(O)c1 MOL23250
-N#CC(=Cc1c[nH]c2ccccc12)C(=O)c1ccc(O)c(O)c1 MOL23251
-CC1=Cc2cccc(C)c2C(=O)C1=O MOL23252
-CC1=CC(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O MOL23253
-COc1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O MOL23254
-COc1c(O)c2c3c(cc(C)cc3c1C(C)C)OC2 MOL23255
-CCOC1CC(C)C2C(CC3(C)C4CC(OC(C)=O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1 MOL23256
-CC(=O)OC1CC2C3(C)CC4OC(C)(O)CC(C)C4C3(C)CCC23CC32CCC(OC3OCC(O)C(O)C3O)C(C)(C)C12 MOL23257
-CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1 MOL23258
-NC(CS)C(=O)[OH+][Pt-2](N)(N)[OH+]C(=O)C(N)CS MOL23259
-N#CNC(=N)NCc1ccccc1 MOL23260
-N#CN=C(NCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL23261
-CNC(=NC#N)NCc1ccccc1 MOL23262
-CCCCNC(=NC#N)NCc1ccccc1 MOL23263
-CNC(=NC#N)N(Cc1ccccc1)Cc1ccccc1 MOL23264
-CCCCNC(=NC#N)N(Cc1ccccc1)Cc1ccccc1 MOL23265
-CN(C)C(=NC#N)NCc1ccccc1 MOL23266
-CCCCN(CCCC)C(=NC#N)NCc1ccccc1 MOL23267
-Cl.NC(=O)N=C(NCc1ccccc1)NCc1ccccc1 MOL23268
-CN(C)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1 MOL23269
-CN(Cc1ccccc1)C(=NC#N)N(C)Cc1ccccc1 MOL23270
-Cl.NC(=O)N=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL23271
-CCCCN(Cc1ccccc1)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1 MOL23272
-CN(Cc1ccccc1)C(=NC#N)N(Cc1ccccc1)Cc1ccccc1 MOL23273
-CC(=C1CCCC2(N=NCC2c2ccccc2)C1=O)c1ccccc1 MOL23274
-CC(=C1CCCC(=C(C)c2ccccc2)C1=O)c1ccccc1 MOL23275
-O=C(C1C(c2ccccc2)N1C(c1ccccc1)c1ccccc1)C1C(c2ccccc2)N1C(c1ccccc1)c1ccccc1 MOL23276
-N=C1NS(=O)(=O)NC(=N)C1=Cc1ccc([N+](=O)[O-])o1 MOL23277
-O=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc1ccccc1 MOL23278
-O=C1C(=Cc2cccs2)C(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc1ccccc1 MOL23279
-NC1=c2nc(-c3ccccc3)c(-c3ccccc3)nc2=NS(=O)(O)=N1 MOL23280
-NC1=c2[nH]c(-c3ccccc3)nc2=NS(=O)(O)=N1 MOL23281
-CCCCCCCCC(O)c1ccc(C=CC(O)CCCC(=O)O)s1.[LiH] MOL23282
-COc1cc(-c2cccs2)sc1-c1cccs1 MOL23283
-COc1ccc(CC#CC=CC(=O)NCC(C)C)cc1 MOL23284
-C=Cc1c(-c2ccccc2)cnc2[nH]c3ccccc3c12 MOL23285
-CCOC(=O)c1cc2c(OCc3ccccc3)c(OC)cc3c2c(n1)N(c1ccc(OC)cc1)C(C)C3 MOL23286
-CCOC(=O)C1CSCC(C(=O)OC)N1 MOL23287
-O=C1C(Cl)C2c3cc4ccccc4nc3Oc3ccccc3N12 MOL23288
-CC1(C)C(=O)C(C)(C)C1=S MOL23289
-CCCC(C(=O)OC)C1N=C(NC#N)N(Cc2ccccc2)C1=O MOL23290
-CC1OC(OP(=O)(OCc2ccccc2)OCc2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1I MOL23291
-COC(=O)C(=CCC(N=C(c1ccccc1)c1ccccc1)C(=O)OC)N=C(c1ccccc1)c1ccccc1 MOL23292
-Nc1ncnc2c1ncn2C1CC(CO)C(CO)C1 MOL23293
-Nc1nc(O)c2ncn(C3CC(CO)C(CO)C3)c2n1 MOL23294
-O=c1ccn(C2CC(CO)C(CO)C2)c(=O)[nH]1 MOL23295
-N=c1ccn(C2CC(CO)C(CO)C2)c(=O)[nH]1 MOL23296
-CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23297
-CC(=O)OCC1OC(n2cc(I)c(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23298
-CC(=O)OCC1OC(n2cc([N+](=O)[O-])c(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23299
-Cc1nc2c(=O)[nH]c(=O)n(C)c2nc1O.c1ccncc1 MOL23300
-CC(=O)OCC1OC(n2c(=O)[nH]c(=O)c3[nH]nnc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23301
-CSc1nc(O)c2nccnc2n1 MOL23302
-CSc1nc(O)c2nc(C)c(C)nc2n1 MOL23303
-CCOC(=O)C(=O)C=C(C)Nc1c(O)nc(SC)nc1NC1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23304
-CSc1nc(O)c2nc(C)c(O)nc2n1 MOL23305
-CSc1nc(O)c2nc(C)c(=O)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2n1 MOL23306
-N=c1[nH]c2c(O)nc(N)nc2n1Cc1ccccc1 MOL23307
-O=C1Oc2cc3c(c4cccc1c24)OCN(c1ccccc1)C3 MOL23308
-O=C1Oc2cc3c(c4cccc1c24)OCN(c1ccc(Cl)cc1)C3 MOL23309
-C=CCN1COc2c(cc3c4c(cccc24)C(=O)O3)C1 MOL23310
-Cc1c(C=NN(C)C)oc2c1cc(O)c1ncccc12 MOL23311
-CC(=CCCC=C(C)CCC=C(C)CCC1SC1(C)C)CCC=C(C)CCC1OC1(C)C MOL23312
-CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1SC1(C)C MOL23313
-COC(=O)C=C(C)CCC1SC1(C)C MOL23314
-CC(CCC1SC1(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3 MOL23315
-CCOC(=O)N1C=NC23C(c4ccccc4)C(c4ccccc4)C12C(=O)N(C)C(=O)N3C MOL23316
-C1CCC(N=C2N(C3CCCCC3)C(=NC3CCCCC3)N2C2CCCCC2)CC1 MOL23317
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[Na+] MOL23318
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)ccc45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)n(C)c1.[NaH] MOL23319
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5c(S(=O)(=O)O)cccc5c4S(=O)(=O)O)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)n(C)c1.[Na+] MOL23320
-Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[KH] MOL23321
-COc1ccc(N=Cc2cc(OC)c(OC)c(OC)c2)cc1 MOL23322
-CCOc1ccc(N=Cc2cc(OC)c(OC)c(OC)c2)cc1 MOL23323
-CCc1ccc(N=Cc2cc(OC)c(OC)c(OC)c2)cc1 MOL23324
-CC(CCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1)C1CCC2C3CCC4CC(F)(F)CCC4(C)C3CCC12C.N MOL23325
-Cc1cn(C2CC(n3cncn3)C(C(C)O)O2)c(=O)[nH]c1=O MOL23326
-Cc1cn(C2CC(n3cncn3)C(C(C)O)O2)c(=O)[nH]c1=O MOL23327
-CC(O)C1OC(n2ccc(=O)[nH]c2=O)CC1n1cncn1 MOL23328
-CC(O)C1OC(n2ccc(=O)[nH]c2=O)CC1n1cncn1 MOL23329
-Cc1cn(C2CC(CCCO)C(CO)O2)c(=O)[nH]c1=O MOL23330
-Cc1cn(C2CC(CCCO)C(CO)O2)c(=O)[nH]c1=O MOL23331
-O=C(C=NO)Nc1cccc(Cl)c1I MOL23332
-O=C(C=NO)Nc1ccc(Cl)c(I)c1 MOL23333
-O=C1Nc2c(ccc(Cl)c2I)C1=O MOL23334
-O=C1Nc2ccc(Cl)c(I)c2C1=O MOL23335
-Clc1ccc2c(Cl)ncnc2c1I MOL23336
-O=C1N=CN=C2C=CC(Cl)=C(I)C12 MOL23337
-CCOc1ncnc2ccc(Cl)c(I)c12 MOL23338
-CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC3O MOL23339
-CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O MOL23340
-CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CCC3OC(=O)CCl MOL23341
-CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3O)C1=O MOL23342
-CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O MOL23343
-CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)CCl)C1=O MOL23344
-COCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O MOL23345
-CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)c2ccccc2)C1=O MOL23346
-CC(=O)OC1CCCn2c1nc1c2C(=O)C(C)=C(N2CC2)C1=O MOL23347
-CC(C)=C[Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C MOL23348
-CC(C)=C[Sb](Br)(C=C(C)C)(C=C(C)C)c1ccccc1 MOL23349
-COc1ccc([Sb](Br)(C=C(C)C)(C=C(C)C)C=C(C)C)cc1 MOL23350
-FC(F)(F)P1C2C=CC(CC2)C1(F)F MOL23351
-CN(C)C(F)=PC(F)(F)F MOL23352
-CC1CCC(=O)NCCCCC(=O)N1 MOL23353
-CCOC(=O)C1=C(O)C(=O)c2ccccc2C1=O MOL23354
-CCOC(=O)C1=C(O)C(=O)c2cc(OC)ccc2C1=O MOL23355
-CCOC(=O)C1=C(O)C(=O)c2cc(C)ccc2C1=O MOL23356
-CCOC(=O)C1=C(O)C(=O)c2c(OC)ccc(OC)c2C1=O MOL23357
-CCOC(=O)C1=C(O)C(=O)c2ccsc2C1=O MOL23358
-CCOC(=O)C1=C(O)C(=O)c2ccoc2C1=O MOL23359
-N=C1NC2=c3ccccc3=C(c3cnccn3)C2(c2cnccn2)c2ccccc21 MOL23360
-c1ccc(-c2[nH]c(-c3ccccc3)c(-c3cnccn3)c2-c2cnccn2)cc1 MOL23361
-Nc1c2ccccc2nc2nccnc12 MOL23362
-N#Cc1cccc2c1Nc1ccccc1S2 MOL23363
-CC(=O)C1=C(C)NC2C=CC=CN12 MOL23364
-N=C1Nc2ccccc2Sc2ccccc21 MOL23365
-NC(=O)c1cccc(NC=O)c1 MOL23366
-NC(=O)c1ccc(NC=O)cc1 MOL23367
-O=CNc1cccc2c(O)nnc(O)c12 MOL23368
-CC(=NOCCC(=O)O)C1CC1 MOL23369
-O=C(O)Cc1ccc2c(c1O)C(=O)c1c(ccc(CC(=O)O)c1O)C2=O MOL23370
-N#Cc1c(-c2ccc(NCc3nc4ccccc4[nH]3)cc2)cc(-c2ccco2)nc1O MOL23371
-N#Cc1c(-c2ccco2)cc(-c2ccc(NCc3nc4ccccc4[nH]3)cc2)nc1N MOL23372
-O=[N+]([O-])c1ccc(C2CC(c3ccc(NCc4nc5ccccc5[nH]4)cc3)=NO2)cc1 MOL23373
-O=[N+]([O-])c1ccc(N2N=C(c3ccc(NCc4nc5ccccc5[nH]4)cc3)CC2c2ccco2)cc1 MOL23374
-O=C1CSC(c2ccccc2)C1C(=O)c1ccc(NCc2nc3ccccc3[nH]2)cc1 MOL23375
-c1ccc2[nH]c(CNc3ccc(C4C[Se]N=N4)cc3)nc2c1 MOL23376
-CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC1C(O)OC(CO)C(O)C1O MOL23377
-Cc1nc2cc(Nc3ccccc3C(=O)O)ccc2s1 MOL23378
-NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1NC(=S)NC(=O)c1ccccc1 MOL23379
-Cc1cn2c(=O)c3ccccc3nc2s1 MOL23380
-O=S1(=O)c2ccccc2N(O)C2=NCCN21 MOL23381
-O=P1(OCC(F)(F)C(F)F)Oc2ccccc2O1 MOL23382
-O=C1SC(c2ccccc2)(c2ccccc2)c2ccccc21 MOL23383
-O=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)s1 MOL23384
-CC1CCC2C(C3OC(=O)CC4CCC(C)C43)C(=O)OC(C3=CCCC3)C12 MOL23385
-CCOC(=O)C(C#N)=CC=C1C=CNC2=NCCN12 MOL23386
-Cc1nc(N2N=C(c3ccc(Cl)cc3)CCC2=O)sc1[N+](=O)[O-] MOL23387
-CC1(C)OC(CCC=CCO)C(CCC=CCO)O1 MOL23388
-CC1C=C(CCCCCCCCCCCCC(O)C2CCC(C3CCC(C(O)CCCCCCCCCCCCC4=CC(C)OC4=O)O3)O2)C(=O)O1 MOL23389
-CC1(C)OC(C#N)CC(CCl)O1 MOL23390
-CC1(C)OC(C#N)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)O1 MOL23391
-C=CCC1(C#N)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)OC(C)(C)O1 MOL23392
-C=CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC MOL23393
-CC(C)[Si](OCC1CC(C#N)OC(C)(C)O1)(C(C)C)C(C)C MOL23394
-CC(C)[Si](OCC1CC(CC2CC(CC3CC(CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C MOL23395
-CC1(C)OC(C#N)CC(CCl)O1 MOL23396
-CC1(C)OC(CC2(C#N)CC(CCl)OC(C)(C)O2)CC(CC2(C#N)CC(CCl)OC(C)(C)O2)O1 MOL23397
-CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)CCCc1ccccc1-2 MOL23398
-CCCCCCN(CCCCCC)C(=O)Cc1c2n(c3ccccc13)Cc1ccccc1-2 MOL23399
-CCCN(CCC)C(=O)Cc1c2n(c3ccccc13)Cc1ccccc1-2 MOL23400
-CCOC(=O)c1ccc(C)c(N=NN(C)C)c1 MOL23401
-Cc1ccc(C(=O)OC(C)C)cc1N=NN(C)C MOL23402
-Cc1ccc(C(=O)OCC(C)C)cc1N=NN(C)C MOL23403
-Cc1ccc(C(=O)Oc2ccccc2)cc1N=NN(C)C MOL23404
-Cc1ccc(C(N)=O)cc1N=NN(C)C MOL23405
-CCNC(=O)c1ccc(C)c(N=NN(C)C)c1 MOL23406
-Cc1ccc(C(=O)NC(C)C)cc1N=NN(C)C MOL23407
-Cc1ccc(C(=O)NC(C)(C)C)cc1N=NN(C)C MOL23408
-Cc1ccc(C(=O)NC2CCCCC2)cc1N=NN(C)C MOL23409
-Cc1ccc(C(=O)NCc2ccccc2)cc1N=NN(C)C MOL23410
-Cc1ccc(C(=O)Nc2ccccc2)cc1N=NN(C)C MOL23411
-CCN(CC)C(=O)c1ccc(C)c(N=NN(C)C)c1 MOL23412
-Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1N=NN(C)C MOL23413
-Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1N=NN(C)C MOL23414
-Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1N=NN(C)C MOL23415
-Cc1ccc(C(=O)N2CCCCC2)cc1N=NN(C)C MOL23416
-CCOC(=O)C(NC(=O)c1ccc(N=NN(C)C)cc1)C(C)C MOL23417
-CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc(N=NN(C)C)cc1 MOL23418
-CCOC(=O)CC(NC(=O)c1ccc(N=NN(C)C)cc1)C(=O)OCC MOL23419
-CCOC(=O)C(Cc1ccc(N=NN(C)C)cc1)NC(=O)CC1c2ccccc2-c2ccccc21 MOL23420
-CCOC(=O)CNC(=O)c1nc[nH]c1N=NN(C)C MOL23421
-CCOC(=O)C(NC(=O)c1nc[nH]c1N=NN(C)C)C(C)C MOL23422
-CCOC(=O)C(Cc1ccccc1)NC(=O)c1nc[nH]c1N=NN(C)C MOL23423
-CCOC(=O)CC(NC(=O)c1nc[nH]c1N=NN(C)C)C(=O)OCC MOL23424
-CCOC(=O)CCC(NC(=O)c1nc[nH]c1N=NN(C)C)C(=O)OCC MOL23425
-CCOC(=O)C(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(C)C MOL23426
-CCOC(=O)C(Cc1ccccc1)NC(=O)c1nc[nH]c1[N+](=O)[O-] MOL23427
-CCOC(=O)CC(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)OCC MOL23428
-CCOC(=O)CCC(NC(=O)c1nc[nH]c1[N+](=O)[O-])C(=O)OCC MOL23429
-CCOC(=O)C(Cc1c[nH]c2cc([N+](=O)[O-])ccc12)NS(=O)(=O)c1ccc2ccccc2c1 MOL23430
-CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)CC1c2ccccc2-c2ccccc21 MOL23431
-Cl.O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2cn1 MOL23432
-Cl.O=C(NCc1ccccc1)c1cc2ccc(O)c(O)c2cn1 MOL23433
-Cc1cn(C2OC(C)(CO)C(O)C2O)c(=O)[nH]c1=O MOL23434
-CC1(CO)OC(n2cnc3c(N)ncnc32)C(O)C1O MOL23435
-CC(=O)OCC1OC(OC(C)=O)C(NC#N)C(OC(C)=O)C1OC(C)=O MOL23436
-CN(C)Cc1c(O)ccc2ccccc12 MOL23437
-Oc1ccc2ccccc2c1CN1CCOCC1 MOL23438
-Oc1ccc2ccccc2c1CNCc1c(O)ccc2ccccc12 MOL23439
-CC(=O)OCC1OC(N2C(=O)C(Oc3ccccc3)C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23440
-CC(=O)OCC1OC(N2C(=O)C(Oc3ccccc3)C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23441
-CC(=O)OCC1OC(N2C(=O)C(Oc3ccccc3)C2C=Cc2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL23442
-CC1(Br)C(=O)NC(=O)N(C2C=CC(CO)O2)C1O MOL23443
-CC1(Br)C(=O)NC(=O)N(C2C=CC(CO)O2)C1O MOL23444
-Cc1c(N)c(C#N)c2n(C)c3ncccc3n2c1=O MOL23445
-COC(=O)C(c1ccc(OC)cc1)N1C(=O)C(NC(=O)c2ccccc2)C1C(C)O MOL23446
-CCc1c(Cc2[nH]c(Cc3[nH]c(C=O)c(C)c3CC)c(CC)c2CC)[nH]c(C=O)c1C MOL23447
-COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O MOL23448
-COc1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1 MOL23449
-COc1cc(NC(C)=O)c2[nH]c3c(C)cc(NC(C)=O)c(C)c3c2c1 MOL23450
-c1cnc2c(c1)-n1cccc1C1(CCOCC1)NN2 MOL23451
-Cc1c(C)n(COCCO)c2ncnc(N)c12 MOL23452
-[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COCCOCCOCCOCCOC2 MOL23453
-CCC12N=C(N(C)C)CC1(O)ON=C2C MOL23454
-CC(C)C(=O)CC(c1ccc(Cl)cc1)N1N=C(C(C)C)CC1c1ccc(Cl)cc1 MOL23455
-CC(CCN(C)C)=NO.Cl MOL23456
-CC(CCN(C)C)=NOC(=O)c1ccccc1.Cl MOL23457
-CN(C)CC1CCCC(CN(C)C)C1=NOC(=O)c1ccccc1.Cl MOL23458
-CN(C)CC1CCC(CN(C)C)C(=O)C1=O.Cl MOL23459
-CC(=O)OCC1=C(CCC#N)N2C(=O)C(NC(=O)Cc3cccs3)C2S(=O)C1 MOL23460
-Cc1c2ccccc2c(=O)n2c(-c3ccccn3)cccc12 MOL23461
-Cc1nc2nn(C)cc2c(=O)n1N=Cc1ccccc1 MOL23462
-Cn1c(NC(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21 MOL23463
-O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Br)cc12 MOL23464
-O=C(Nc1nc2ccccc2n1Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 MOL23465
-O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 MOL23466
-O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 MOL23467
-N=c1n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2n1CC(=O)NC12CC3CC(CC(C3)C1)C2 MOL23468
-CCN1C(=O)C(N=[N+]=[N-])(c2ccccc2)C(=O)c2ccccc21 MOL23469
-[N-]=[N+]=NC1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O MOL23470
-CCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O MOL23471
-CCC1(N=[N+]=[N-])C(=O)c2ccccc2N(c2ccccc2)C1=O MOL23472
-CCC1(N=[N+]=[N-])C(=O)Nc2cc(C)ccc2C1=O MOL23473
-[N-]=[N+]=NC1(c2ccccc2)C(=O)C(Cl)=C(c2ccccc2)N(c2ccccc2)C1=O MOL23474
-Cc1ccc2c(c1)NC(=O)C(N=[N+]=[N-])(c1ccccc1)C2=O MOL23475
-CCOC(=O)CC(NCc1ccc(N=Cc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC MOL23476
-C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1ccc(Cl)c(Cl)c1 MOL23477
-COc1cc(Nc2cnc3cc(N)ccc3n2)cc(OC)c1OC MOL23478
-COc1cc(CNc2cnc3cc(N)ccc3n2)cc(OC)c1OC MOL23479
-COc1cc(Nc2nc3cc(C)ccc3nc2-c2ccccc2)cc(OC)c1OC MOL23480
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc1 MOL23481
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2O)cc1 MOL23482
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc(O)c2)cc1 MOL23483
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1 MOL23484
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc([N+](=O)[O-])c2)cc1 MOL23485
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)cc1 MOL23486
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1 MOL23487
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1 MOL23488
-Cc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1 MOL23489
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)ccc1O MOL23490
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc1OC MOL23491
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(N)cc2)cc(Br)c1O MOL23492
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1 MOL23493
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)cc(Br)c2O)cc1 MOL23494
-Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2Cl)cc1 MOL23495
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2)cc1 MOL23496
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccccc2O)cc1 MOL23497
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 MOL23498
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1 MOL23499
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc([N+](=O)[O-])cc2)cc1 MOL23500
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O MOL23501
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1OC MOL23502
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(Br)c1O MOL23503
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2C=Cc2ccccc2)cc1 MOL23504
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)cc(Br)c2O)cc1 MOL23505
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2=Cc2ccco2)cc1 MOL23506
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cc(Br)ccc2O)cc1 MOL23507
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC MOL23508
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(Cl)cc2)cc1 MOL23509
-CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2cccc([N+](=O)[O-])c2)cc1 MOL23510
-O=c1c2c(nc3n1CCC3)sc1c(O)c(Br)ccc12 MOL23511
-O=C(O)c1n[nH]c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)n[nH]c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL23512
-O=C([O-])c1n[nH]c2c1N=[N+](c1ccc(C=Cc3ccc([N+]4=Nc5c(C(=O)[O-])n[nH]c5[OH+][Cu-]4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)[Cu-][OH+]2.[Na+] MOL23513
-O=S(=O)([O-])c1ccc2c3c(ccc2c1)[OH+][Cu-][N+](c1ccc(C=Cc2ccc([N+]4=Nc5c(ccc6cc(S(=O)(=O)[O-])ccc56)[OH+][Cu-]4)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1)=N3.[Na+] MOL23514
-O=S(=O)([O-])c1cc([N+]2=Nc3cc(S(=O)(=O)[O-])c4cccc5c4c3N[Cu-2]2[OH+]S5(=O)=O)ccc1C=Cc1ccc([N+]2=Nc3cc(S(=O)(=O)[O-])c4cccc5c4c3N[Cu-2]2[OH+]S5(=O)=O)cc1S(=O)(=O)[O-].[Na+] MOL23515
-C[N+](C)(C)C.O=S(=O)([O-])c1cc(N=Nc2cc(S(=O)(=O)[O-])c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)[O-])c3cccnc3c2O)cc1S(=O)(=O)[O-] MOL23516
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[LiH] MOL23517
-CC(=O)c1cccc(N2COC(C)(C)c3nc4ccccc4n3C2)c1 MOL23518
-CC1(C)OCN(c2ccc(Cl)cc2)Cn2c1nc1ccccc12 MOL23519
-CC1(C)OCN(c2ccc(N3CCOCC3)cc2)Cn2c1nc1ccccc12 MOL23520
-CC1(C)OCN(c2ccc(S(N)(=O)=O)cc2)Cn2c1nc1ccccc12 MOL23521
-Cc1c(C=NNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C MOL23522
-COc1ccc(C(=O)NN=Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 MOL23523
-Cc1c(C=NNC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C MOL23524
-Cc1c(C=NNC(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C MOL23525
-Cc1c(-c2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C MOL23526
-COc1ccc(-c2nnc(-c3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 MOL23527
-Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)c(=O)n(-c2ccccc2)n1C MOL23528
-Cc1c(C=NNC(=O)c2cc(Br)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C MOL23529
-c1ccc2c(c1)nnn2CNc1ccc(N2CCOCC2)cc1 MOL23530
-c1ccc2c(c1)nnn2CNc1ccc(N2CCCCC2)cc1 MOL23531
-CC(=O)c1cccc(NCn2nnc3ccccc32)c1 MOL23532
-O=C(c1ccccc1)c1cc(Cl)ccc1NCn1nnc2ccccc21 MOL23533
-C=CCCCCCCCCCP(=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL23534
-CC[n+]1c(C=Cc2cc(C(=O)OC)n3c2sc2ccccc23)sc2ccccc21.[I-] MOL23535
-COP(=O)(OC)C(NC(=O)C(F)(F)F)(c1ccccc1)C(F)(F)F MOL23536
-N#CC(=Cc1ccc2[nH]ccc2c1)C(N)=C(C#N)C#N MOL23537
-CC(C)=CCCC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4oc23)O1 MOL23538
-CSCC(NC(=O)COc1cccc2cnccc12)C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSCC1C(=O)NC(C)(C)C MOL23539
-O=C1OC2(OC2c2ccccc2)c2ccccc21 MOL23540
-COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCCC(=O)O MOL23541
-COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCC(=O)O MOL23542
-O=c1n(C2CCCCC2)c(=C(Cl)Cl)c(=C(Cl)Cl)n1C1CCCCC1 MOL23543
-CCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C(=O)O)cc1 MOL23544
-CCOC(=O)c1ccc(-n2c(SCC)nc3sc(C)c(C)c3c2=O)cc1 MOL23545
-O=C1NC2OC(C(O)CO)C(O)C2O1 MOL23546
-O=C1NC2OC(CO)C(O)C2O1 MOL23547
-O=C1NC2OC(CO)C(O)C(O)C2O1 MOL23548
-O=C1NC2OCC(O)C(O)C2O1 MOL23549
-O=C1NC2OC(CO)C(O)C(O)C2O1 MOL23550
-O=C1NC2OC(CO)C(O)C2O1 MOL23551
-CN1CCOC(C(NC(=O)c2ccccc2)c2ccccc2)C1=O MOL23552
-CCOC(=O)C1C(C(=O)OCC)C2c3ncccc3-c3ccccc3N2C1C(=O)OCC MOL23553
-Cn1c2c(O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 MOL23554
-C[N+](C)(Cc1ccc(NC(=O)CCCC(=O)ON2C(=O)CCC2=O)cc1)c1ccccc1.[Br-] MOL23555
-COc1ccc(C=CC(=O)C(C)C)cc1 MOL23556
-Cc1ccc(C=CC(=O)C(C)C)cc1 MOL23557
-Br.CCN1CCC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1 MOL23558
-CC(C)C(=O)C=Cc1ccc(Br)cc1 MOL23559
-CC(C)C(=O)C=Cc1ccc(Cl)cc1 MOL23560
-Clc1ccc(C=NN=Cc2ccc(Cl)cc2)cc1 MOL23561
-O=C(OCC=C1C=C(OC(=O)c2ccccc2)C(=NN(C(=O)c2ccccc2)c2ccccc2)O1)c1ccccc1 MOL23562
-CC(C)C(=O)C=Cc1ccccc1 MOL23563
-CC(C)C(=O)C=Cc1ccc(Cl)c(Cl)c1 MOL23564
-CC(=O)OC1SC(c2c(F)cccc2F)n2c1nc1ccccc12 MOL23565
-Cc1cc(C)c(S(=O)(O)=[OH+])c(C)c1.N[S+]1Cc2nc3ccccc3n2C1c1c(F)cccc1F MOL23566
-CN=S(=O)(c1ccccc1)c1ccccc1 MOL23567
-C1OC1C1CCC(C2CCC(C3CO3)O2)O1 MOL23568
-CCCCCCCCCCC(OC(C)=O)C1CCC(C2CCC(C(O)CC#CC=CCCCCCCCC3(Sc4ccccc4)CC(C)OC3=O)O2)O1 MOL23569
-COc1ccc(C23c4ccc(OC)cc4CC2(c2ccc([N+](=O)[O-])cc2)Cc2cc(OC)ccc23)cc1 MOL23570
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OCCCCN(O)CCCSC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C MOL23571
-Cc1cn(C2CC3C(COCN3O)O2)c(=O)[nH]c1=O MOL23572
-Cc1cn(C2CC(N(O)Cc3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL23573
-CC1(C)OC2OC3COP(=O)(N(CCCl)CCCl)OC3C2O1 MOL23574
-CC1Cn2c(=O)[nH]c3cccc(c32)NC1=O MOL23575
-CN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc21 MOL23576
-CN(C)C(=O)OC1C(=O)N(C)c2ccc(Cl)cc2C2(c3ccccc3)N1C2(Cl)Cl MOL23577
-O=C1CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F MOL23578
-C#CCN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc21 MOL23579
-O=C1CN2C(Cl)(Cl)C2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 MOL23580
-CN1C(=O)CN2C(Cl)(Cl)C2(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 MOL23581
-O=C(C=C(O)C(=O)O)C=C(O)c1ccccc1 MOL23582
-CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O MOL23583
-CC(=O)O.CCN(CC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN(CC)CC)cc1C2=O MOL23584
-CC(=O)O.O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O MOL23585
-CC(=O)O.CCN(CC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CC)CC)cc1C2=O MOL23586
-CC(=O)O.O=C(CCN1CCCCC1CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CCO)cc1C2=O MOL23587
-CC(=O)O.O=C(CCN1CCC(CCO)CC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCC(CCO)CC3)cc1C2=O MOL23588
-CC(=O)O.O=C(CCN1CCCCC1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CO)cc1C2=O MOL23589
-O=C(CCN(CCO)CCO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN(CCO)CCO)cc1C2=O MOL23590
-CI.O=C(CCC1CCCCN1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3)cc1C2=O MOL23591
-COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(OC(=O)CCNc2c3ccccc3nc3cccc([N+](=O)[O-])c23)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O MOL23592
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCNCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O MOL23593
-CCC(COC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21 MOL23594
-COC(=O)CCC(NC(=O)C(C)NC(=O)COC1C(O)C(COC(=O)CCCCCCCCCCNC(=O)c2ccc([N+](=O)[O-])c3[nH]c4cc(Br)ccc4c(=O)c23)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O MOL23595
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O MOL23596
-N#Cc1nn(-c2ccc(Cl)cc2)c(=N)c2c(N)n3nc(-c4ccccc4)cc3nc12 MOL23597
-COc1ccc(-n2nc3c(=N)[nH]nc-3nc2-c2ccccc2)cc1 MOL23598
-Cl.Cn1cnc(CCc2ccccc2)n1 MOL23599
-Cl.Cn1ncnc1CCc1ccccc1 MOL23600
-O=S(=O)(c1ccccc1)n1cnc(CCc2ccccc2)n1 MOL23601
-Cl.Clc1ccc(CCn2cncn2)cc1 MOL23602
-OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl MOL23603
-Cl.Cn1ccnc1CCc1ccc(Cl)c(Cl)c1 MOL23604
-Cl.Cn1ccnc1CCc1c(Cl)cccc1Cl MOL23605
-COc1ccc2ccccc2c1CN1CCOCCOCCN(Cc2c(OC)ccc3ccccc23)CCOCCOCC1 MOL23606
-CCCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCC)c4c3O)c(O)c12 MOL23607
-CC1=C(C2=C(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(C=O)c(O)c(O)c(C(C)C)c2C1=O MOL23608
-CCc1c(O)c(O)c(C(C)=O)c2c(O)c(-c3c(C)cc4c(CC)c(O)c(O)c(C(C)=O)c4c3O)c(C)cc12 MOL23609
-O=Cc1c(O)ccc2ccc(O)c(-c3c(O)ccc4ccc(O)cc34)c12 MOL23610
-COC(=O)C(Cc1ccccc1)N=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NC(Cc5ccccc5)C(=O)OC)c4c3O)c(O)c12 MOL23611
-Cc1cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=NC(C)c3ccccc3)c2c1O MOL23612
-C=CCSSSCC=C MOL23613
-Cc1nc(O)c2sc(=S)n(-c3ccccc3)c2n1 MOL23614
-Cc1nc(N(CCO)CCO)c2sc(=S)n(-c3ccccc3)c2n1 MOL23615
-Nc1c(C(=O)NN=Cc2ccccc2)sc(=S)n1-c1ccccc1 MOL23616
-COc1ccc(C=NNC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 MOL23617
-Nc1c(C(=O)NN=Cc2ccc(Cl)cc2)sc(=S)n1-c1ccccc1 MOL23618
-COc1ccc(C=NNC(=O)C2=C(N)N(c3ccccc3)C(=C(C#N)C#N)S2)cc1 MOL23619
-CCOC(=O)C(C#N)=C1SC(C(=O)NN=Cc2ccc(OC)cc2)=C(N)N1c1ccccc1 MOL23620
-COc1ccc(C=Nn2cnc3c(c2=O)SC(=C(C#N)C#N)N3c2ccccc2)cc1 MOL23621
-CCOC(=O)C(C#N)=C1Sc2c(ncn(N=Cc3ccc(OC)cc3)c2=O)N1c1ccccc1 MOL23622
-COc1ccc(C=Nn2cnc3c(sc(=S)n3-c3ccccc3)c2=O)cc1 MOL23623
-COc1ccc(C=Nn2c(C)nc3c(sc(=S)n3-c3ccccc3)c2=O)cc1 MOL23624
-Cc1ccc(N2C(=O)C(=C3SC(C(N)=O)=C(N)N3c3ccccc3)SC2=S)cc1 MOL23625
-CCOC(=O)C1=C(N)N(c2ccccc2)C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)S1 MOL23626
-C=CCN1C(N)=C(C(N)=O)SC1=C1SC(=S)N(c2ccc(C)cc2)C1=O MOL23627
-C=CCN1C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)Sc2c(O)ncnc21 MOL23628
-Cc1ccc(N2C(=O)C(=C3Sc4c(O)nc(C)nc4N3c3ccccc3)SC2=S)cc1 MOL23629
-N#CC(=C1SC(C(N)=O)=C(N)N1c1ccccc1)c1nc2ccccc2[nH]1 MOL23630
-CCOC(=O)C1=C(N)N(c2ccccc2)C(=C(C#N)c2nc3ccccc3[nH]2)S1 MOL23631
-N#CC(=C1SCC(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 MOL23632
-N#CC(=C1SC(N=Nc2ccccc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 MOL23633
-Cc1ccc(N=NC2SC(=C(C#N)c3nc4ccccc4[nH]3)N(c3ccccc3)C2=O)cc1 MOL23634
-N#CC(=C1SC(N=Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1)c1nc2ccccc2[nH]1 MOL23635
-N#CC(=C1Sc2c(O)ncnc2N1c1ccccc1)c1nc2ccccc2[nH]1 MOL23636
-Cc1nc(O)c2c(n1)N(c1ccccc1)C(=C(C#N)c1nc3ccccc3[nH]1)S2 MOL23637
-C=CCN1C(=C(C#N)c2nc3ccccc3[nH]2)Sc2c(O)ncnc21 MOL23638
-COc1ccc(C=C(C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1 MOL23639
-O=C1CSC(C(=Cc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 MOL23640
-Cc1ccc(N=NC(C2=NC(=O)CS2)c2nc3ccccc3[nH]2)cc1 MOL23641
-O=C1CSC(C(N=Nc2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 MOL23642
-COc1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)C(c2ccc(OC)cc2)C=3c2nc3ccccc3[nH]2)cc1 MOL23643
-N#CC1=C(N)n2c(sc(=Cc3ccc(Cl)cc3)c2=O)=C(c2nc3ccccc3[nH]2)C1c1ccc(Cl)cc1 MOL23644
-CC(CO)CCCC(C)C1C(O)C(O)C2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C MOL23645
-CC(C)C(CCOS(=O)(=O)O)CCC(C)C1C(O)C(O)C2C1(C)CCC1C2(O)CC(O)C2(O)CC(O)CCC12C.[NaH] MOL23646
-CC1(C)CNC(=O)C2(CCCO2)CNC(C)(C)CNC(=O)C2(CCCO2)CN1 MOL23647
-CC1(C)CNC(=O)C2(C=NC(C)(C)CNC(=O)C3(C=N1)CCCO3)CCCO2 MOL23648
-CC(C)C1CNC(=O)C2(C=NC(C(C)C)CNC(=O)C3(C=N1)CCCO3)CCCO2 MOL23649
-CC(C)C1CNC(=O)C2(CCCO2)CNC(C(C)C)CNC(=O)C2(CCCO2)CN1 MOL23650
-COC1(C)C=NCC(C)(C)NC(=O)C(C)(OC)C=NCC(C)(C)NC1=O MOL23651
-CC1(C)CN=CC(C)(OCc2ccccc2)C(=O)NC(C)(C)CN=CC(C)(OCc2ccccc2)C(=O)N1 MOL23652
-CC(=O)OC1C(N(C)C(=O)c2ccccc2)CCC2(C)C3CCC4(C)C(CC(O)C4C(C)N(C)C)C3CCC12 MOL23653
-CC(C1CCC2C3CCC4C(=O)C(NC(=O)c5ccccc5)=CCC4(C)C3CCC21C)N(C)C MOL23654
-CC(C1=CC=C2C3CCC4CC(N(C)C)CCC4(C)C3CCC21C)N(C)C=O MOL23655
-CC(C1CCC2C3CCC4CC5(CCC4(C)C3CCC21C)c1ccccc1C(=O)N5C)N(C)C MOL23656
-CC(C1CCC2C3CCC4CC5(CCC4(C)C3CCC21C)c1ccccc1C(=O)N5C)N(C)C MOL23657
-CC(=O)OC1C(NC(=O)c2ccccc2)C(O)CC2(C)C3CCC4(C)C(CCC4C(C)N(C)C)C3CCC12 MOL23658
-CC(C)OP(=O)(OC(C)C)c1ncn(-c2ccc([N+](=O)[O-])cc2)n1 MOL23659
-CC(C)OP(=O)(OC(C)C)c1nc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)n1 MOL23660
-CC(C)OP(=O)(OC(C)C)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=N)s1 MOL23661
-CC(C)OP(=O)(OC(C)C)C(I)=NNc1ccc([N+](=O)[O-])cc1 MOL23662
-CC(C)OP(=O)(OC(C)C)C(F)=NNc1ccc([N+](=O)[O-])cc1 MOL23663
-COC(=NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C MOL23664
-CC(=O)c1c(P(=O)(OC(C)C)OC(C)C)nn(-c2ccc([N+](=O)[O-])cc2)c1C MOL23665
-CC(=O)N(NC(=O)P(=O)(OC(C)C)OC(C)C)c1ccc([N+](=O)[O-])cc1 MOL23666
-COP(=O)(OC)C(=O)N1N(c2ccc([N+](=O)[O-])cc2)C(=O)C(C)NC1(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC)OC MOL23667
-CCC1NC(N=Nc2ccc([N+](=O)[O-])cc2)(P(=O)(OC(C)C)OC(C)C)OC1=O MOL23668
-CC(C)OP(=O)(OC(C)C)C(Cl)=NNc1ccc([N+](=O)[O-])cc1 MOL23669
-CC(C)OP(=O)(OC(C)C)C(=N)NNc1ccc([N+](=O)[O-])cc1 MOL23670
-CN(C)P(=O)(C(=N)NNc1ccc([N+](=O)[O-])cc1)N(C)C MOL23671
-CCN=C(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C MOL23672
-CN=C(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C MOL23673
-CC(C)OP(=O)(OC(C)C)C(=NNC(=O)c1ccccc1)NNc1ccc([N+](=O)[O-])cc1 MOL23674
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NN MOL23675
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1 MOL23676
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NNC(N)=O MOL23677
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NCCO MOL23678
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 MOL23679
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)Nc1ccncc1 MOL23680
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccc([N+](=O)[O-])cc1)NCCN=C(NNc1ccc([N+](=O)[O-])cc1)P(=O)(OC(C)C)OC(C)C MOL23681
-CC(C)OP(=O)(OC(C)C)C(=NNc1ccccc1[N+](=O)[O-])NCCN=C(NNc1ccccc1[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C MOL23682
-CC(C)OP(=O)(OC(C)C)C(=Nc1ccc(NC(=NNc2ccc([N+](=O)[O-])cc2)P(=O)(OC(C)C)OC(C)C)cc1)NNc1ccc([N+](=O)[O-])cc1 MOL23683
-Cc1ccccc1N1C(=O)C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C1=O MOL23684
-Cc1ccc(N2C(=O)C3C=CC(n4[nH]c(=O)n(Cc5ccccc5)c4=O)CC3C2=O)cc1 MOL23685
-COc1ccc(N2C(=O)C3C=CC(n4[nH]c(=O)n(Cc5ccccc5)c4=O)CC3C2=O)cc1 MOL23686
-O=C1C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C(=O)N1c1cccc(Cl)c1 MOL23687
-CC1=CC2C(=O)N(c3ccccc3)C(=O)C2CC1n1[nH]c(=O)n(Cc2ccccc2)c1=O MOL23688
-O=C1C2C=CC(n3[nH]c(=O)n(Cc4ccccc4)c3=O)CC2C(=O)N1c1ccc(Br)cc1 MOL23689
-C=C1CC2C(=O)N(c3ccccc3)C(=O)C2CC1n1[nH]c(=O)n(Cc2ccccc2)c1=O MOL23690
-COc1cc2c(cc1OC)C1C(COC(=O)Nc3ccccc3)CN1CC2 MOL23691
-CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 MOL23692
-CC(=O)N(CC1CCCN(C)C1)C12CC3CC(CC(C3)C1)C2 MOL23693
-OC1CCN(Cc2ccccc2)CC1CNC12CC3CC(CC(C3)C1)C2 MOL23694
-CC(=O)OC1CCN(Cc2ccccc2)CC1CN(C(C)=O)C12CC3CC(CC(C3)C1)C2 MOL23695
-CN1CCCC(CNC23CC4CC(CC(C4)C2)C3)C1 MOL23696
-O=C(C=C(O)C(=O)O)C=C(O)c1ccccc1Cl MOL23697
-O=C(C=C(O)C(=O)O)C=C(O)c1ccc(Cl)cc1 MOL23698
-CN1OC(CO)CC12C1CC3CC(C1)CC2C3 MOL23699
-COc1ccc(CN2CCCC=CCC(Cl)(Cl)C2=O)cc1 MOL23700
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccccc1O MOL23701
-COc1ccc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1 MOL23702
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 MOL23703
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 MOL23704
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccc(O)cc1 MOL23705
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1cccc(O)c1 MOL23706
-COc1cc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)ccc1O MOL23707
-COc1ccc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC MOL23708
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1ccco1 MOL23709
-COc1cc(C=C2C(=O)N(C(=O)c3ccccc3O)N=C2C)cc(OC)c1OC MOL23710
-CC1=NN(C(=O)c2ccccc2O)C(=O)C1=Cc1c(O)ccc2ccccc12 MOL23711
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccccc1O MOL23712
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1cccc(O)c1 MOL23713
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(O)cc1 MOL23714
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 MOL23715
-COc1ccc(C=C2C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc1OC MOL23716
-COc1cc(C=C2C(=O)N(C(=O)c3ccc(Cl)cc3)N=C2C)cc(OC)c1OC MOL23717
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccco1 MOL23718
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1c(O)cc(O)c2ccccc12 MOL23719
-CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1 MOL23720
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccccc1O MOL23721
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccc(O)cc1 MOL23722
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 MOL23723
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1cccc(O)c1 MOL23724
-COc1cc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)ccc1O MOL23725
-COc1ccc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc1OC MOL23726
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=CC=Cc1ccccc1 MOL23727
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1ccco1 MOL23728
-COc1cc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc(OC)c1OC MOL23729
-CC1=NN(C(=O)Cc2ccccc2)C(=O)C1=Cc1c(O)ccc2ccccc12 MOL23730
-COc1ccccc1C=C1C(=O)N(C(=O)Cc2ccccc2)N=C1C MOL23731
-COc1cccc(C=C2C(=O)N(C(=O)Cc3ccccc3)N=C2C)c1 MOL23732
-CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3ccccc3O)C2=O)cc1 MOL23733
-COc1ccc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)cc1 MOL23734
-CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3ccc(O)cc3)C2=O)cc1 MOL23735
-COc1ccccc1C=C1C(=O)N(C(=O)c2ccc(NC(C)=O)cc2)N=C1C MOL23736
-CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3cccc(O)c3)C2=O)cc1 MOL23737
-COc1cccc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)c1 MOL23738
-CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 MOL23739
-COc1cc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)ccc1O MOL23740
-COc1ccc(C=C2C(=O)N(C(=O)c3ccc(NC(C)=O)cc3)N=C2C)cc1OC MOL23741
-CC(=O)Nc1ccc(C(=O)N2N=C(C)C(=Cc3c(O)ccc4ccccc34)C2=O)cc1 MOL23742
-Cn1nc2ccc3nccc(N(CCO)CCO)c3c2n1 MOL23743
-Cn1nc2ccc3nccc(NCCNCCCl)c3c2n1 MOL23744
-CCn1c2ccccc2c2ccc3c(c21)C(=O)c1ccccc1C3=O MOL23745
-COc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)C=CC4=O MOL23746
-COc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)c1ccccc1C4=O MOL23747
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CC(C)CC(C)C4C3C2=O)cc1 MOL23748
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CC(C)(C)CC(C)(C)C4C3C2=O)cc1 MOL23749
-CCOc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL23750
-COc1ccccc1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O MOL23751
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1OC MOL23752
-CC(=O)c1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL23753
-CSc1ccc(NC(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C(=O)O)cc1 MOL23754
-O=C1C2ON3c4ccccc4C(=O)C3(c3ccccc3)C2C(=O)N1c1ccccc1 MOL23755
-On1c(-c2ccccc2)c(-c2ccccc2N2CCCC2)c2ccccc21 MOL23756
-O=C1c2ccccc2N2Oc3ccccc3C12c1ccccc1 MOL23757
-CC(=O)OC1CC2(c3ccccc3)C(=O)c3ccccc3N2O1 MOL23758
-O=C1c2ccccc2N2OC3C4CCC(C4)C3C12c1ccccc1 MOL23759
-O=C1C2CCC(C2)C12CC1(c3ccccc3)C(=O)c3ccccc3N1O2 MOL23760
-COC(=O)C1CC2(c3ccccc3)C(=O)c3ccccc3N2O1 MOL23761
-CC(=O)C1CC2(c3ccccc3)C(=O)c3ccccc3N2O1 MOL23762
-COCC12CC(CC1=O)C1C2ON2c3ccccc3C(=O)C12c1ccccc1 MOL23763
-O=C1c2ccccc2N2OC3(N4CCOCC4)CCCC3C12c1ccccc1 MOL23764
-O=C1c2ccccc2N2OC3(N4CCCC4)CCCC3C12c1ccccc1 MOL23765
-O=C1c2ccccc2N2OC3(N4CCCC4)CCCCC3C12c1ccccc1 MOL23766
-O=C1c2ccccc2N(O)C1(c1ccccc1)C1CCCC=C1N1CCOCC1 MOL23767
-Cc1ccc(-c2cc(=S)n(-c3ccccc3)c3[nH]c(=S)n(-c4ccccc4)c(=N)c23)cc1 MOL23768
-CN=C1CC2c3cc(OC)c(OC)cc3CCN2C2=C1C(=O)CC(C)(C)C2.Cl MOL23769
-O=C1NCC2=C1CCC1c3ccccc3CCN21 MOL23770
-CCC(=O)NCC1(c2c[nH]c3ccccc23)SCCS1 MOL23771
-CNS(=O)(=O)NNS(=O)(=O)c1ccccc1 MOL23772
-C=CCOC(C)n1c(C)c(Br)c(=O)[nH]c1=O MOL23773
-O=C(c1ccccc1)c1nnn(Cc2ccccc2Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1 MOL23774
-COC(=O)c1onc(-c2c(OC)cc(OC)cc2OC)c1C(=O)OC MOL23775
-COC1OC(OC)C2C(c3c(C)cc(C)cc3C)=NOC12 MOL23776
-O=C(c1ccccc1)c1nnn(Cc2cccc(Cl)c2)c1C(=O)c1ccccc1 MOL23777
-O=C(c1ccccc1)C1N=NN(Cc2ccccc2[N+](=O)[O-])C1C(=O)c1ccccc1 MOL23778
-COC1C=CC23c4cc5c(cc4COC2(O)CN(C)C3C1)OCO5 MOL23779
-CC(=O)CCCCCCCCCCCCC1CCC(C)C(O)N1 MOL23780
-O=C1C=C(N2CCCC2)C=C(N2CCCC2)C1 MOL23781
-Cl.OC1CN2CCCC(O)C2C1O MOL23782
-CC(=CCS(=O)(=O)CCNC(=N)N)CCC=C(C)CCC1(C)C(C)=CCCC1C MOL23783
-CC(=CCCC(=CCS(=O)(=O)CCNC(=N)N)CO)CCC1(C)C(C)=CCCC1C MOL23784
-O=C1Sc2cc3c(cc2C(=O)N2CCCC12)OCO3 MOL23785
-OC1COc2c3ccccc3nn2C1 MOL23786
-COc1cc2c3c(c1)[nH]c(=S)n3C(=O)CS2 MOL23787
-O=c1c([Se]c2coc3ccccc3c2=O)coc2ccccc12 MOL23788
-COc1ccc2c(=O)c([Se]c3coc4cc(OC)ccc4c3=O)coc2c1 MOL23789
-Cc1cccc2c(=O)c([Se]c3coc4c(C)cccc4c3=O)coc12 MOL23790
-N.O=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1 MOL23791
-N.O=C(O)c1cc(Cc2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O MOL23792
-c1ccc([PH]([Au-][n+]2cc[n-]c2)(c2ccccc2)c2ccccc2)cc1 MOL23793
-CCC1(CC)C(=O)[NH+]([Au-][PH](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)[NH+]([Au-][PH](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O MOL23794
-c1ccc(Cn2cc[n+]3c2[Au-][n+]2ccn(Cc4ccccc4)c2[Au-][n+]2ccn(Cc4ccccc4)c2[Au-]3)cc1 MOL23795
-CC1=NN(c2ccccc2)C(=O)C1([Au-][PH](c1ccccc1)(c1ccccc1)c1ccccc1)[Au-][PH](c1ccccc1)(c1ccccc1)c1ccccc1 MOL23796
-Oc1ccc(-c2c3ccccc3c(-c3ccc(O)cc3)c3ccccc23)cc1 MOL23797
-COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3ccccc23)cc1 MOL23798
-COc1ccc2c(c1)c1cc(OC)ccc1n2CCCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCn4c5ccc(OC)cc5c5cc(OC)ccc54)cc3)c3ccccc23)cc1 MOL23799
-COc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1 MOL23800
-CC1(C)C2CCC3(C2)CS(=O)(=O)N2OC231 MOL23801
-O=C1Cc2nc(CO)c(CO)c(CO)c2CO1 MOL23802
-O=C(CP(=O)(O)O)c1cccs1 MOL23803
-CCOC(=O)C(OCC1CC=CCC1)Sc1ccccc1 MOL23804
-COc1ccc(N2C(=O)C(N3C(=O)C=CC3=O)C2C=O)cc1 MOL23805
-O=C(O)CN1CCSc2ccccc2CN(CC(=O)O)CCSc2ccccc2C1 MOL23806
-COC(=O)C1C2C=CC(C2)N1C(C)c1ccccc1 MOL23807
-C#CC(C)(C)OCCCCOc1cc(O)c2c(=O)c3ccccc3n(C)c2c1 MOL23808
-C=C(C)C1Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1 MOL23809
-COc1c(C)c2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2 MOL23810
-CS(=O)(=O)O.Cc1c2[nH]c3ccc(Br)cc3c2c(C)c2nccc(O)c12 MOL23811
-COc1cc(N)c2[nH]c3c(C)ccc(C)c3c2c1 MOL23812
-CCCC(O)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1 MOL23813
-O=[N+]([O-])c1cc2c(cc1O)[nH]c1cccc([N+](=O)[O-])c12 MOL23814
-CCCCCC(=O)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1 MOL23815
-Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(C(CCC3CCCC3)=NN)cc12 MOL23816
-CCC(=NO)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1 MOL23817
-CC(=NN)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1 MOL23818
-CCCc1nc(SCCCCCCCCSc2nc(CCC)c(-c3ccc(F)cc3)[nH]2)[nH]c1-c1ccc(F)cc1.CS(=O)(=O)O MOL23819
-Cl.N=C(N)SCc1cn2ccccc2n1 MOL23820
-Cl.N=C(N)SCCc1cn2ccccc2n1 MOL23821
-CS(=O)(=O)O.Cc1nc2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c(O)c1C MOL23822
-CC(C)N1CCC2(CC1)NNc1ncccc1-n1cccc12.Cl MOL23823
-Br.c1cnc2c(c1)-n1cccc1C1(CCSCC1)NN2 MOL23824
-Br.c1cnc2c(c1)-n1cccc1C1(CCCCC1)NN2 MOL23825
-c1cnc2c(c1)-n1cccc1C1(CCSC1)NN2 MOL23826
-Cc1cc(N)c(C)c2c1[nH]c1ccc(O)cc12 MOL23827
-CCOC(=O)Oc1ccc2[nH]c3c(C)cc(N)c(C)c3c2c1 MOL23828
-Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(Cl)cc12 MOL23829
-Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1ccc(O)cc12 MOL23830
-COC(=O)N1CCc2c(O)nc(N(C)CCO)nc2C1 MOL23831
-CN(CCO)c1nc(O)c2c(n1)CCC2 MOL23832
-CN(CCO)c1nc(O)c2c(n1)CCNC2 MOL23833
-CN(CCO)c1nc(=O)c2c(n1C1OC(CO)C(O)C(O)C1O)CCCC2 MOL23834
-CN(CCO)c1nc(N)cc(O)n1 MOL23835
-O=C(O)c1ccc(C2=Cc3cc(Cl)ccc3OC2)cc1 MOL23836
-O=C(O)c1ccc(C2COc3ccc(Cl)cc3C2)cc1 MOL23837
-Br.O=C(O)CCCCCOc1cccnc1C=NNC1=NCCN1 MOL23838
-Br.C(COc1cccnc1)=NNC1=NCCN1 MOL23839
-Br.CC(C=Cc1ncccc1OCCCCCC(=O)O)=NNC1=NCCN1 MOL23840
-Br.CCCCCC(C=Cc1ncccc1OCCCCCC(=O)O)=NNC1=NCCN1 MOL23841
-NC1=c2[nH]c(-c3ccc([N+](=O)[O-])o3)nc2=NS(=O)(O)=N1 MOL23842
-NC1=c2[nH]c(-c3cccs3)nc2=NS(=O)(O)=N1 MOL23843
-NC1=c2[nH]c(-c3ccc(Cl)cc3)nc2=NS(=O)(O)=N1 MOL23844
-NC1=c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2=NS(=O)(O)=N1 MOL23845
-COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)N(C)S(=O)(=O)NC3=N)cc1 MOL23846
-O=C1CC(=O)N(CCc2ccccc2)S(=O)(=O)N1CCc1ccccc1 MOL23847
-CC(=O)N(C(C)=O)C1=C2c3ccccc3N(S(=O)(=O)c3ccccc3)C2n2c(=O)n(-c3ccccc3)c(=O)n2C1 MOL23848
-CC1=CC2C(C=C1)S(=O)(=O)N1CC21c1ccccc1 MOL23849
-C1=C2CCC(Sc3ccccc3)C2C2(CCCCC1)OCCO2 MOL23850
-O=[N+]([O-])[OH+][Au-3]12[P-](c3ccccc3)(c3ccccc3)[Au-3]1([OH+][N+](=O)[O-])[P-]2(c1ccccc1)c1ccccc1 MOL23851
-CCOC(=O)C1=C(C)N2CCOC2(C)C(C(=O)OC)C1c1cccc(Cl)c1 MOL23852
-CC(C)(C)C1=CC(=C2C(=O)C(=O)c3ccccc3C2=O)C=C(C(C)(C)C)C1=O MOL23853
-ON=CC(=NO)Nc1ccc(Cc2ccc(NC(C=NO)=NO)cc2)cc1 MOL23854
-ON=C(Nc1ccc(-c2ccc(NC(=NO)C(=NO)c3ccccc3)cc2)cc1)C(=NO)c1ccccc1 MOL23855
-COC(=O)c1c2cccccc-2c(Cc2c3cccccc-3c(C(=O)OC)c2O)c1O MOL23856
-CON=C(C(=O)Nc1c[n+](CC(=O)[O-])cs1)c1csc(=N)[nH]1 MOL23857
-CN(C)CCN(C)C(=O)C1CCCN1C(=O)OCc1ccccc1 MOL23858
-CC1=C(N(C)C)C(=O)c2nc3n(c2C1=O)CCC3OC(N)=O MOL23859
-CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3O)C1=N MOL23860
-CCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N MOL23861
-COC1=C(NC(C)=O)C(=O)c2nc3n(c2C1=O)CCC3 MOL23862
-O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3 MOL23863
-Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3)c2c1O MOL23864
-Cc1ccc2oc(=O)c(-c3ccccc3)nc2c1 MOL23865
-COC(=O)c1ccc(OCc2ccc3nc(OC)c(OC)nc3c2)cc1 MOL23866
-COC(=O)c1ccc(OCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1 MOL23867
-Nc1ccc2nc(Nc3ccc(F)cc3)cnc2c1 MOL23868
-COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1OC MOL23869
-Nc1ccc2nc(Nc3ccc(Cl)c(Cl)c3)cnc2c1 MOL23870
-Nc1ccc2ncc(Nc3ccc(F)cc3)nc2c1 MOL23871
-COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1OC MOL23872
-COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1 MOL23873
-c1cncc(CSc2nc3ccccc3nc2-c2cccs2)c1 MOL23874
-c1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1 MOL23875
-O=S(Cc1ccccc1)c1nc2ccccc2nc1-c1cccs1 MOL23876
-COc1ccc(CSc2nc3ccccc3nc2-c2cccs2)cc1 MOL23877
-O=S(Cc1cnc2ccccc2c1)c1nc2ccccc2nc1-c1cccs1 MOL23878
-c1ccc(-c2nc3ccccc3nc2SCc2cccnc2)cc1 MOL23879
-O=S(Cc1ccccn1)c1nc2ccccc2nc1-c1ccccc1 MOL23880
-CC(=CCO)CCC1=C(C=O)CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12C MOL23881
-COc1cc2c(oc(=O)c3c4oc([Si](C)(C)C)cc4cc(OC)c23)c2cccc(OCc3ccccc3)c12 MOL23882
-COc1cc2c(oc(=O)c3c4oc([Si](C)(C)C)cc4cc(OC)c23)c2cccc(O)c12 MOL23883
-COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(OCc3ccccc3)c12 MOL23884
-COc1cc2c(oc(=O)c3cc4ccoc4c(OC)c32)c2cccc(O)c12 MOL23885
-COc1cc2c(oc(=O)c3cc4cc([Si](C)(C)C)oc4c(OC)c32)c2cccc(O)c12 MOL23886
-COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(O)c12 MOL23887
-COc1cc(Cl)cc(N(O)C(C)=O)c1OCc1ccccc1 MOL23888
-Cc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)[O-])c3ccccc3nc12.Cl MOL23889
-Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl MOL23890
-COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12.Cl MOL23891
-COc1ccc([N+](=O)[O-])c2c(NCCC[N+](C)(C)O)c3ccccc3nc12.Cl.[Cl-] MOL23892
-Cc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(C)c3nc12.Cl MOL23893
-Cc1cccc2c(NCCC[N+](C)(C)O)c3c([N+](=O)[O-])ccc(C)c3nc12.Cl.[Cl-] MOL23894
-O=C(O)C12CC3CC(C1)C2C=C3P(=O)(O)O MOL23895
-CCOC(=O)C(C#N)(Cc1c[nH]c2ccccc12)NC(C)=O MOL23896
-CCC1C[N+]23CCc4c([nH]c5ccccc45)C2CC1CC3.Cc1ccc(S(=O)(=O)[OH2+])cc1 MOL23897
-CC1CC23C4CCCN2CC2OC2C13C1CC4OC1=O MOL23898
-CN(C(=O)c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O MOL23899
-CC1=CC(=O)OC2(C1)CC1CCC2CN1C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 MOL23900
-O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 MOL23901
-CCOC(=O)C12CCC(=O)C=C1C(C)C(=O)CC2 MOL23902
-CN1C2CCC1C(=Cc1cccc3c1OCO3)C(=O)C2=Cc1cccc2c1OCO2 MOL23903
-COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O.N MOL23904
-COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C MOL23905
-COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)OC)c2)cc1S(=O)(=O)OC MOL23906
-O=C(CC(C(=O)c1ccsc1)c1cccs1)c1cccs1 MOL23907
-O=C(NNC(=O)c1nsc2ccccc12)c1ccc(Cl)cc1 MOL23908
-COc1ccc(C(=O)NNC(=O)c2nsc3ccccc23)cc1 MOL23909
-c1ccc(-c2nnc(-c3nsc4ccccc34)o2)cc1 MOL23910
-Clc1ccc(-c2nnc(-c3nsc4ccccc34)o2)cc1 MOL23911
-COc1ccc(-c2nnc(-c3nsc4ccccc34)o2)cc1 MOL23912
-CCc1nnc(-c2nsc3ccccc23)s1 MOL23913
-CCNC(=S)NNC(=O)c1nsc2ccccc12 MOL23914
-O=C(NNC(=S)Nc1ccccc1)c1nsc2ccccc12 MOL23915
-COc1ccc(NC(=S)NNC(=O)c2nsc3ccccc23)cc1 MOL23916
-c1ccc(Nc2nnc(-c3nsc4ccccc34)o2)cc1 MOL23917
-CCNc1nnc(-c2nsc3ccccc23)s1 MOL23918
-COc1ccc(Nc2nnc(-c3nsc4ccccc34)s2)cc1 MOL23919
-CCn1cnnc1-c1nsc2ccccc12 MOL23920
-c1ccc(-n2cnnc2-c2nsc3ccccc23)cc1 MOL23921
-COc1ccc(-n2cnnc2-c2nsc3ccccc23)cc1 MOL23922
-Cc1cc(C)n(-c2nsc3ccccc23)n1 MOL23923
-Nc1cc(-c2ccccc2)nn1-c1nsc2ccccc12 MOL23924
-O=C(O)CCC(=NNc1nsc2ccccc12)c1ccccc1 MOL23925
-O=C(O)CCC(=NNc1nsc2ccccc12)c1ccc(Cl)cc1 MOL23926
-O=C1CCC(c2ccccc2)=NN1c1nsc2ccccc12 MOL23927
-O=C1CCC(c2ccc(Cl)cc2)=NN1c1nsc2ccccc12 MOL23928
-COc1ccc(C2=NN(c3nsc4ccccc34)C(=O)CC2)cc1 MOL23929
-COc1ccc(-c2nnc3c4ccccc4sn23)cc1 MOL23930
-Nc1ncnc2c1ncn2C1CC(OC2CCCCO2)C(CO)O1 MOL23931
-Nc1ncnc2c1ncn2C1CC(OCc2ccccc2[N+](=O)[O-])C(CO)O1 MOL23932
-Cc1cn(C2CC(OC3CCCCO3)C(CO)O2)c(=O)[nH]c1=O MOL23933
-CCOC(C)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL23934
-CC(C)(C)[Si](OC1CC(n2cnc3c(N)ncnc32)OC1CO)(c1ccccc1)c1ccccc1 MOL23935
-O=C1OC(=C(Br)c2cccc3ccccc23)c2ccccc21 MOL23936
-CCCCCCCSc1nc2c(C(=O)OCC)ncn2c2ccccc12 MOL23937
-O=C1OC2(OC2c2ccc(Cl)cc2)c2ccccc21 MOL23938
-OCCNCN(CNCCO)c1nc(N(CNCCO)CNCCO)nc(N(CNCCO)CNCCO)n1 MOL23939
-Nc1c(-c2ccccc2[N+](=O)[O-])nc2ccccn12 MOL23940
-COc1c2c(cc3c(CCc4ccccc4)cc(=O)oc13)CCC(C)(C)O2 MOL23941
-COc1cc2c(cc1OC)C(C1(O)CCCCC1)NCC2 MOL23942
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccccc2O)n1 MOL23943
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(O)cc2)n1 MOL23944
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc(O)c2)n1 MOL23945
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc([N+](=O)[O-])cc2)n1 MOL23946
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc([N+](=O)[O-])c2)n1 MOL23947
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccc(Cl)cc2)n1 MOL23948
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2cccc(Cl)c2)n1 MOL23949
-COc1ccc(C2C(=O)C(Cl)N2Nc2nc(C)cc(O)n2)cc1OC MOL23950
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2ccco2)n1 MOL23951
-COc1cc(C2C(=O)C(Cl)N2Nc2nc(C)cc(O)n2)cc(OC)c1OC MOL23952
-Cc1cc(O)nc(NN2C(Cl)C(=O)C2c2c(O)ccc3ccccc23)n1 MOL23953
-O=C1C(Cl)N(c2ccccc2)C1c1c[nH]c2ccccc12 MOL23954
-O=C1C(Cl)N(c2ccccc2Cl)C1c1c[nH]c2ccccc12 MOL23955
-O=C1C(Cl)N(c2cccc(Cl)c2)C1c1c[nH]c2ccccc12 MOL23956
-O=C1C(Cl)N(c2ccc(Cl)cc2)C1c1c[nH]c2ccccc12 MOL23957
-COc1ccccc1N1C(Cl)C(=O)C1c1c[nH]c2ccccc12 MOL23958
-COc1cccc(N2C(Cl)C(=O)C2c2c[nH]c3ccccc23)c1 MOL23959
-COc1ccc(N2C(Cl)C(=O)C2c2c[nH]c3ccccc23)cc1 MOL23960
-O=C1C(Cl)N(c2ccccc2[N+](=O)[O-])C1c1c[nH]c2ccccc12 MOL23961
-O=C1C(Cl)N(c2cccc([N+](=O)[O-])c2)C1c1c[nH]c2ccccc12 MOL23962
-O=C1C(Cl)N(c2ccc([N+](=O)[O-])cc2)C1c1c[nH]c2ccccc12 MOL23963
-O=C1C(Cl)N(c2c(Cl)cccc2Cl)C1c1c[nH]c2ccccc12 MOL23964
-O=C1C(Cl)N(c2ccc(Cl)cc2Cl)C1c1c[nH]c2ccccc12 MOL23965
-O=C(NN1C(=O)C(Cl)C1c1ccccc1O)c1ccccc1O MOL23966
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc1 MOL23967
-O=C(NN1C(=O)C(Cl)C1c1ccc([N+](=O)[O-])cc1)c1ccccc1O MOL23968
-O=C(NN1C(=O)C(Cl)C1c1cccc([N+](=O)[O-])c1)c1ccccc1O MOL23969
-O=C(NN1C(=O)C(Cl)C1c1ccccc1Cl)c1ccccc1O MOL23970
-O=C(NN1C(=O)C(Cl)C1c1cccc(Cl)c1)c1ccccc1O MOL23971
-O=C(NN1C(=O)C(Cl)C1c1ccc(O)cc1)c1ccccc1O MOL23972
-O=C(NN1C(=O)C(Cl)C1c1cccc(O)c1)c1ccccc1O MOL23973
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)ccc1O MOL23974
-COc1ccc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc1OC MOL23975
-COc1cc(C2C(Cl)C(=O)N2NC(=O)c2ccccc2O)cc(OC)c1OC MOL23976
-O=C(NN1C(=O)C(Cl)C1c1c(O)ccc2ccccc12)c1ccccc1O MOL23977
-O=c1nc2n(c3nsnc13)CCO2 MOL23978
-Oc1cc(CN2CCOCCOCCOCCOCC2)c(O)cc1CN1CCOCCOCCOCCOCC1 MOL23979
-Cn1c(=O)c2c(nc(C[N+]3([O-])CCOCC3)n2C)n(C)c1=O MOL23980
-NCCN(CCN)[N+](=O)[N-]O MOL23981
-CONN(O)NC(C)C MOL23982
-CCN(CC)[N+](=O)[N-]OCOC MOL23983
-C=CO[N-][N+](=O)N(CC)CC MOL23984
-CCN(CC)[N+](=O)[N-]OS(=O)(=O)N(C)C MOL23985
-O=C1c2ccccc2C(=O)N1Cc1ccccc1-c1c2ccc(n2)c(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c2ccc([nH]2)c(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c2ccc(n2)c(-c2ccccc2CN2C(=O)c3ccccc3C2=O)c2ccc1[nH]2 MOL23986
-NCc1ccccc1-c1c2ccc(n2)c(-c2ccccc2CN)c2ccc([nH]2)c(-c2ccccc2CN)c2ccc(n2)c(-c2ccccc2CN)c2ccc1[nH]2 MOL23987
-O=c1c2cc3c(=O)n(CCc4ccccc4CO)c(=O)c3cc2c(=O)n1CCc1ccccc1CO MOL23988
-O=Cc1ccccc1CCn1c(=O)c2cc3c(=O)n(CCc4ccccc4C=O)c(=O)c3cc2c1=O MOL23989
-CCCc1c(C(=O)OCC)[nH]c(C(=O)CCC(=O)c2[nH]c(C(=O)OCC)c(CCC)c2C(=O)OCC)c1C(=O)OCC MOL23990
-CCCc1c(C(=O)OCC)[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)o2)c1C(=O)OCC MOL23991
-CCCc1c(C(=O)OCC)[nH]c(-c2ccc(-c3[nH]c(C(=O)OCC)c(CCC)c3C(=O)OCC)s2)c1C(=O)OCC MOL23992
-CCCc1cc(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)[nH]c1C=O MOL23993
-CCCc1c[nH]c(-c2ccc(-c3cc(CCC)c(C=O)[nH]3)s2)c1 MOL23994
-OCc1ccccc1C1CSCSC1 MOL23995
-NCc1ccccc1C1CSCSC1 MOL23996
-O=Cc1ccccc1COC(=O)c1cc(C(=O)OCc2ccccc2C=O)c(C(=O)OCc2ccccc2C=O)cc1C(=O)OCc1ccccc1C=O MOL23997
-O=C(OCc1ccccc1C1CSCSC1)c1cc(C(=O)OCc2ccccc2C2CSCSC2)c(C(=O)OCc2ccccc2C2CSCSC2)cc1C(=O)OCc1ccccc1C1CSCSC1 MOL23998
-c1ccc(C2OCCO2)c(OCCOc2cc(OCCOc3ccccc3C3OCCO3)c(OCCOc3ccccc3C3OCCO3)cc2OCCOc2ccccc2C2OCCO2)c1 MOL23999
-Sc1nc(S)c2nnn(-c3ccccc3)c2n1 MOL24000
-Cn1c(=N)c2cnn(-c3ccccc3)c2n(C)c1=O MOL24001
-COc1ccc(Nc2cnc3cc(N)ccc3n2)cc1OC MOL24002
-N#Cc1ccc(Nc2cnc3cc(N)ccc3n2)cc1 MOL24003
-Nc1ccc2ncc(Nc3ccc(Cl)c(Cl)c3)nc2c1 MOL24004
-N#Cc1ccc(Nc2cnc3ccc(N)cc3n2)cc1 MOL24005
-Nc1ccc2ncc(NCc3ccc(F)cc3)nc2c1 MOL24006
-O=C1Nc2ccccc2Sc2ccccc21 MOL24007
-CN1C(=O)c2ccccc2Sc2ccccc21 MOL24008
-O=C1c2ccccc2Sc2ccccc2N1C(=O)C1CC1 MOL24009
-COc1cc(Cc2ccc3c(c2C#N)N(C)c2ccccc2S3)cc(OC)c1OC MOL24010
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCC(CC2CCC(NC(=O)C(C#N)=Cc3ccc(O)c(O)c3)CC2)CC1 MOL24011
-O=c1oc2ccccc2c2nc(O)c(NC34CC5CC(CC(C5)C3)C4)nc12 MOL24012
-Cc1ccc(C(=O)C=C2Nc3c(c(=O)oc4ccccc34)N=C2NC23CC4CC(CC(C4)C2)C3)cc1 MOL24013
-Cc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)cc1 MOL24014
-Cc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1 MOL24015
-CCOc1ccc(NCC(=O)N2CC(=O)Nc3ccccc32)cc1 MOL24016
-CCOc1ccc(NCC(=O)N2CC(=O)Nc3cc(C)c(C)cc32)cc1 MOL24017
-CCOc1ccc(N(CC(=O)N2CC(=O)Nc3cc(C)c(C)cc32)C(C)=O)cc1 MOL24018
-COc1ccc(C=CC(=O)c2cc(C)ccc2OC(C)=O)cc1 MOL24019
-O=C1C(=Cc2ccccc2)Oc2ccc(Cl)cc21 MOL24020
-CN(C)c1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1 MOL24021
-C=CCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S MOL24022
-CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1cc3ccccc3nc1S2 MOL24023
-O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c2cc(O)c(O)c(O)c2)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 MOL24024
-Cc1nc(O)c2sc(=NN)n(-c3ccccc3)c2n1 MOL24025
-Cc1nc2c(sc(=NN)n2-c2ccccc2)c(=O)n1C MOL24026
-Cc1ccc(N2C(=O)C(=C3Sc4c(nc(C)n(C)c4=O)N3c3ccccc3)SC2=S)cc1 MOL24027
-C=CCN1C(=C2SC(=S)N(c3ccc(C)cc3)C2=O)Sc2c1ncn(C)c2=O MOL24028
-COc1ccc(C=Nn2cnc3c(c2=O)SC(=C2SC(=S)N(c4ccc(C)cc4)C2=O)N3c2ccccc2)cc1 MOL24029
-Nc1c(Cl)ncnc1NCCCNc1ncnc(Cl)c1N MOL24030
-Clc1ncnc2c1ncn2CCCCCCCCCCCCn1cnc2c(Cl)ncnc21 MOL24031
-Oc1ncnc2c1nnn2CCCn1nnc2c(O)ncnc21 MOL24032
-Oc1ncnc2c1nnn2CCCCCCCCCCCCn1nnc2c(O)ncnc21 MOL24033
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c7n6CCS7)n5)ccc4C3CCC21C MOL24034
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7ccccc7c7sc8ccccc8n67)n5)ccc4C3CCC21C MOL24035
-N#Cc1c2ccccc2cn1-c1ccc(F)cc1 MOL24036
-COc1ccc(S(=O)(=O)O)cc1C(=O)c1cc(S(=O)(=O)O)ccc1OC.N MOL24037
-COc1ccc(S(=O)(=O)OC)cc1C(=O)c1cc(S(=O)(=O)OC)ccc1OC MOL24038
-COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)OC)c1OC MOL24039
-CN(C)S(=O)(=O)c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)N(C)C)c2O)c1O MOL24040
-COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)O)c1OC.N MOL24041
-COc1c(Cc2cc(Cl)cc(S(=O)(=O)N(C)C)c2OC)cc(Cl)cc1S(=O)(=O)N(C)C MOL24042
-COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(S(=O)(=O)N(C)C)c1OC MOL24043
-COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1OC MOL24044
-CCC1C(=O)OCc2c1cc1n(c2=O)CCC12OCCO2 MOL24045
-CCN(CC)CCCNc1ncc(C)c2c1c1ccc3c(O)cccc3c1n2C MOL24046
-CC(C)(CN1CCCCC1)C(=O)C=Cc1ccc(Br)cc1.Cl MOL24047
-CC(C)C(=O)CC(c1ccc(Br)cc1)N1N=C(C(C)C)CC1c1ccc(Br)cc1 MOL24048
-CC(C)C(C=Cc1ccc(Br)cc1)=NNC(N)=O MOL24049
-CC(C)C(C=Cc1ccccc1)=NNC(=O)NN=C(C=Cc1ccccc1)C(C)C MOL24050
-COC1CC(n2cnc3c(N)ncnc32)OC1CO MOL24051
-C=CCOC1CC(n2cnc3c(N)ncnc32)OC1CO MOL24052
-O=c1ccn(CC2OCC(CO)O2)c(=O)[nH]1 MOL24053
-O=c1ccn(CC2OCC(CO)O2)c(=O)[nH]1 MOL24054
-Cc1cn(CC2OCC(CO)O2)c(=O)[nH]c1=O MOL24055
-N=c1ccn(CC2OCC(CO)O2)c(=O)[nH]1 MOL24056
-N=c1ccn(CC2OCC(CO)O2)c(=O)[nH]1 MOL24057
-Nc1ncnc2c1ncn2CC1OCC(CO)O1 MOL24058
-Nc1ncnc2c1ncn2CC1OCC(CO)O1 MOL24059
-Nc1nc(O)c2ncn(CC3OCC(CO)O3)c2n1 MOL24060
-Nc1nc(O)c2ncn(CC3OCC(CO)O3)c2n1 MOL24061
-CCOC(=O)c1ccccc1NNC(=O)CCC(=O)O MOL24062
-CCOC(=O)c1ccccc1NN1C(=O)C=CC1=O MOL24063
-N#Cc1cccc(-n2[nH]c(=O)ccc2=O)c1 MOL24064
-CCOC(=O)c1ccc(-n2[nH]c(=O)ccc2=O)cc1 MOL24065
-O=C1C=CC(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL24066
-Cn1c(=O)n(CC2CS2)c2ccccc21 MOL24067
-O=c1n(CC2CO2)c2ccccc2n1CC1CS1 MOL24068
-O=c1sc2ccccc2n1CC1CS1 MOL24069
-Cn1c(=O)n(C2(C)CSC2)c2ccccc21 MOL24070
-CC1(n2nc(-c3ccccc3)n(-c3ccccc3)c2=O)CSC1 MOL24071
-O=c1n(CCCCn2c(=O)n(CC3CS3)c3ccccc32)c2ccccc2n1CC1CS1 MOL24072
-O=c1n(CC2CS2)c2ccccc2n1CC1CS1 MOL24073
-Cn1c(=O)n(C2(C)C[Se]C2)c2ccccc21 MOL24074
-O=c1n(Cc2ccccc2)c2ccccc2n1CC1CS1 MOL24075
-COP1(=O)Oc2ccccc2C(=O)C(C(F)(F)F)(C(F)(F)F)O1 MOL24076
-O=C1c2ccccc2OP(=O)(OCC(F)(F)F)OC1(C(F)(F)F)C(F)(F)F MOL24077
-Cc1ccc(-n2cc(C(=N)NO)c3ccccc3c2=O)cc1 MOL24078
-CC1CCc2c(sc3ncnc(NN=Cc4ccc(Cl)cc4)c23)C1 MOL24079
-CC1CCc2c(sc3ncnc(NN=Cc4ccc(Cl)c(Cl)c4)c23)C1 MOL24080
-O=C(O)c1cc2c3nn(-c4ccccc4)c(=O)c-3c[nH]c2s1 MOL24081
-C1=Nc2ccccc2Cn2nncc21 MOL24082
-CCCC[Sn](CCCC)(CCCC)OC(=O)C(O)c1ccccc1 MOL24083
-CCCC[Sn](CCCC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1 MOL24084
-CCCC[Sn](CCCC)(OC(=O)C(OC)c1ccccc1)OC(=O)C(OC)c1ccccc1 MOL24085
-CC[Sn](CC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1 MOL24086
-CCCC[Sn](CCCC)(ON(C)C(=O)c1ccc(Br)cc1)ON(C)C(=O)c1ccc(Br)cc1 MOL24087
-CC(C)OP(=O)(OC(C)C)C(N(C)C)P(=O)(OC(C)C)OC(C)C.C[Sn](C)(Cl)Cl MOL24088
-CCOP(=O)(CP(=O)(OCC)OCC)OCC.Cl[Sn](Cl)(c1ccccc1)c1ccccc1 MOL24089
-CCOP(=O)(CC(C)P(=O)(OCC)OCC)OCC.CC[Sn](Cl)(Cl)CC MOL24090
-CCCC[Ge](CCCC)(CCCC)OC(=O)CCl MOL24091
-CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)c1ccccc1 MOL24092
-CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC MOL24093
-CN(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl MOL24094
-C[N+](C)(O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl.[Cl-] MOL24095
-COc1cccc2c(NCCCN(C)C)c3c([N+](=O)[O-])ccc(OC)c3nc12.Cl MOL24096
-COc1cccc2c(NCCC[N+](C)(C)O)c3c([N+](=O)[O-])ccc(OC)c3nc12.Cl.[Cl-] MOL24097
-CC(C)OP(=O)(OC(C)C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(P(=O)(OC(C)C)OC(C)C)=NN1c1ccc([N+](=O)[O-])cc1 MOL24098
-COP(=O)(OC)C(=NNc1ccc([N+](=O)[O-])cc1)NCc1ccccc1 MOL24099
-CCC(=C(C#N)C#N)c1cc(OC)c(OC)c(OC)c1 MOL24100
-COc1ccc(C(NC(=O)CC(C(=O)N(C)C(C)C(=O)O)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C)c2ccc(OC)cc2)cc1 MOL24101
-COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C MOL24102
-COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C MOL24103
-COC(=O)C(C)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(NC(=O)OC(C)(C)C)C(C)C MOL24104
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)C)C(C)C MOL24105
-COc1ccccc1C1(C)SCc2nc3ccccc3n21 MOL24106
-Nc1nc(N)c2ncn(CCOC(c3ccccc3)P(=O)(O)O)c2n1.[NaH] MOL24107
-N#CC(NNC(=O)Cc1ccccc1)c1ccccc1O MOL24108
-N#CC(NNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL24109
-N#CC(NNC(=O)Cc1ccccc1)c1ccc(O)cc1 MOL24110
-N#CC(NNC(=O)Cc1ccccc1)c1cccc(O)c1 MOL24111
-COc1ccc(C(C#N)NNC(=O)Cc2ccccc2)cc1OC MOL24112
-CN(C)c1ccc(C(C#N)NNC(=O)Cc2ccccc2)cc1 MOL24113
-COc1cc(C(C#N)NNC(=O)Cc2ccccc2)cc(OC)c1OC MOL24114
-N#CC(NNC(=O)Cc1ccccc1)c1c(O)ccc2ccccc12 MOL24115
-Cc1cc(O)nc(NNC(C#N)c2ccccc2O)n1 MOL24116
-Cc1cc(O)nc(NNC(C#N)c2ccc(O)cc2)n1 MOL24117
-Cc1cc(O)nc(NNC(C#N)c2cccc(O)c2)n1 MOL24118
-Cc1cc(O)nc(NNC(C#N)c2ccc([N+](=O)[O-])cc2)n1 MOL24119
-Cc1cc(O)nc(NNC(C#N)c2cccc([N+](=O)[O-])c2)n1 MOL24120
-COc1ccc(C(C#N)NNc2nc(C)cc(O)n2)cc1OC MOL24121
-Cc1cc(O)nc(NNC(C#N)c2ccco2)n1 MOL24122
-Cc1cc(O)nc(NNC(C#N)c2ccc(N(C)C)cc2)n1 MOL24123
-COc1cc(C(C#N)NNc2nc(C)cc(O)n2)cc(OC)c1OC MOL24124
-Cc1cc(O)nc(NNC(C#N)c2c(O)ccc3ccccc23)n1 MOL24125
-N#CC(NNC(=O)c1ccccc1O)c1ccccc1 MOL24126
-N#CC(NNC(=O)c1ccccc1O)c1ccccc1O MOL24127
-N#CC(NNC(=O)c1ccccc1O)c1ccc(O)cc1 MOL24128
-N#CC(NNC(=O)c1ccccc1O)c1cccc(O)c1 MOL24129
-COc1cc(C(C#N)NNC(=O)c2ccccc2O)ccc1O MOL24130
-COc1ccc(C(C#N)NNC(=O)c2ccccc2O)cc1OC MOL24131
-N#CC(NNC(=O)c1ccccc1O)c1c(O)ccc2ccccc12 MOL24132
-N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 MOL24133
-Cc1cc2ncn(-c3nc4ccccc4nc3C(C#N)S(C)(=O)=O)c2cc1C MOL24134
-Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCOCC2)cc1 MOL24135
-N#Cc1c2nc3ccccc3nc2n2ccccc12 MOL24136
-CCOC(=O)c1ccn2c(c1)c(C#N)c1nc3ccccc3nc12 MOL24137
-Brc1c2nc3ccccc3nc2n2ccc3ccccc3c12 MOL24138
-Cc1ccc(S(=O)(=O)c2c(N)c3nccn3c3nc4ccccc4nc23)cc1 MOL24139
-Cc1ccc(S(=O)(=O)C2c3nc4ccccc4cc3-c3nc4ccccc4nc32)cc1 MOL24140
-Cc1ccc(S(=O)(=O)c2c3nc4ccccc4nc3n3c2[nH]c2ccccc23)cc1 MOL24141
-Cc1ccc(S(=O)(=O)C2=c3nc4ccccc4cc3=C3C(=O)c4ccccc4C(=O)C32)cc1 MOL24142
-C=C1CCC23CC(CCC2C12CC(c1ccoc1)OC2=O)OC3=O MOL24143
-COC(=O)C1C2CCC3C45CC(c6ccoc6)OC4OC(O2)C13CCC5C MOL24144
-C(=Cc1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12)C=C1c2ccccc2-c2c(-c3ccccc3)cc(-c3ccccc3)[o+]c21.[O-][Cl+3]([O-])([O-])O MOL24145
-O=P(CCOc1ccccc1OCCP(=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL24146
-COc1ccc(C2SC(=Cc3ccccc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24147
-COc1ccc(C2SC(=Cc3ccccc3O)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24148
-COc1ccc(C=C2SC(c3ccc(OC)cc3)N(NC(=O)Cc3ccccc3)C2=O)cc1 MOL24149
-COc1ccc(C2SC(=Cc3ccc(O)cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24150
-COc1ccc(C2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24151
-COc1ccc(C2SC(=Cc3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24152
-COc1ccc(C2SC(=Cc3cccc(O)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24153
-COc1ccc(C2SC(=Cc3ccc(OC)cc3OC)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24154
-COc1ccc(C2SC(=Cc3cc(OC)c(OC)c(OC)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24155
-COc1ccc(C2SC(=Cc3cccc(OC)c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 MOL24156
-O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccccc1 MOL24157
-O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1cccc(Cl)c1 MOL24158
-O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1 MOL24159
-O=c1c2ccccc2nc(-c2ccccc2)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] MOL24160
-CCCCNC(=S)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL24161
-Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccccc1 MOL24162
-Cc1nc2ccccc2c(=O)n1NC(=S)Nc1cccc(Cl)c1 MOL24163
-COc1cccc(NC(=S)Nn2c(C)nc3ccccc3c2=O)c1 MOL24164
-Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] MOL24165
-Cc1nc2ccccc2c(=O)n1NC(=S)NC1CCCCC1 MOL24166
-Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1 MOL24167
-C=C(C)C12CC3CC(C(=NO)C(C1)C3=NO)C2(C)O MOL24168
-C=CCn1c(=S)sc2c(C(=O)OCC)c3c(C)cc(C)cn3c2c1=O MOL24169
-COC(=O)C1=C(C(=O)OC)C2C(C)=CC(C)=CN2C(C#N)=C(SC)S1 MOL24170
-CCOC(=O)C1=C(C(=O)OCC)C2c3ccccc3C=CN2C(C(=O)OCC)=C(SC)S1 MOL24171
-COC(=O)C1=C(SC)SC2(C(=O)OC)C3C=C(C)C4C(N13)C42C(=O)OC MOL24172
-NC(=O)C1(c2ccccc2)Nc2ccccc2S1 MOL24173
-N#CC(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(F)(F)F MOL24174
-N#CC(Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F MOL24175
-CN1CCCC(CNC2C3CC4CC(C3)CC2C4)C1 MOL24176
-CC(=O)N(CC1CN(Cc2ccccc2)CCC1O)C12CC3CC(CC(C3)C1)C2 MOL24177
-OC1CCN(Cc2ccccc2)CC1CNC12CC3CC(CC(C3)C1)C2 MOL24178
-CC(=O)N(CC1CCCN(C)C1)C1C2CC3CC(C2)CC1C3 MOL24179
-NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 MOL24180
-[O-]c1on[n+]2c1c(Nc1ccc(Cl)cc1)nc1ccccc12 MOL24181
-COc1c(C(C)C)cc2c3c1OC(=O)C31CCCC(C)(C)C1CC2 MOL24182
-CCOC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O MOL24183
-CC=CC#CC#CC(O)C(C=CCCCO)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O MOL24184
-O=C(c1cccnc1)[N+]1=[C-]c2ccc[o+]2[Ni-2]12[N+](C(=O)c1cccnc1)=[C-]c1ccc[o+]12 MOL24185
-O=C(c1cccnc1)[N+]1=[C-]c2ccc[o+]2[Co-2]12[N+](C(=O)c1cccnc1)=[C-]c1ccc[o+]12 MOL24186
-Clc1ccc([N+]2=C3C=Cc4ccccc4[O+]3[Co-2]23[N+](c2ccc(Cl)cc2)=C2C=Cc4ccccc4[O+]23)cc1 MOL24187
-Clc1ccc([N+]2=C3C=Cc4ccccc4[O+]3[Ni-2]23[N+](c2ccc(Cl)cc2)=C2C=Cc4ccccc4[O+]23)cc1 MOL24188
-C=COCCCOc1ccccc1 MOL24189
-CC12CCC3=C(CSC4=C3CSc3ccccc34)C1=CCCC2=O MOL24190
-OC1CCOc2ccccc21 MOL24191
-OC1CCSc2ccccc21 MOL24192
-Cc1ccc2c(=O)c3ccccc3sc2c1 MOL24193
-COCC1C2OC(C)(C)OC2C(=O)N1C(=O)c1ccc(OC)cc1 MOL24194
-CC(c1ccc2c(c1)CCC1C2CC2OC23CC=CC(=O)C13C)C1CC2(C)OC2(C)C(O)O1 MOL24195
-C=C1C(=O)OC2CC(C)C3CC(=O)C(C)=C3CC12 MOL24196
-CC1(C)Cc2c(C#N)c(N)c3c(c2CO1)C(=O)OC3=O MOL24197
-COc1c2c(c3ccccc3c1O)C1C=CC2C1 MOL24198
-COc1c(O)c2ccccc2c2cc(O)ccc12 MOL24199
-CCN(CC)C(=O)c1cc(OC(C)C)ccc1-c1c(C)cc(OC(C)C)c(OC)c1OC MOL24200
-NNc1nnc(-c2ccccc2)nc1Cc1ccccc1 MOL24201
-CC1=CC2(C=C(C(=O)O)C34CCCC(C)(C)C3CC2OC4)OC1=O MOL24202
-COC1C=CC23c4cc5c(cc4C(=O)OC2CN(C)C3C1)OCO5 MOL24203
-CN1Cc2cc3c(cc2-c2ccccc21)OCO3 MOL24204
-COc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL24205
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL24206
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Br)c(O)c(C(=O)O)c5)c5cc(Br)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL24207
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL24208
-COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O.N MOL24209
-COc1c(C(=O)c2cc(Cl)cc(S(=O)(=O)N(C)C=O)c2OC)cc(Cl)cc1S(=O)(=O)N(C)C=O MOL24210
-COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)n3ccnc3)c2)cc1S(=O)(=O)n1ccnc1 MOL24211
-CCCCCC1=C(c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2cc(S(=O)(=O)N(C)C)c(OC)cc2S1(=O)=O MOL24212
-CCOC(=O)C(C(C)=O)C(CC(=O)OC)NC(=O)OCc1ccccc1 MOL24213
-COC(=O)CC1C(C(C)(OC)OC)C(=O)N1[Si](C)(C)C(C)(C)C MOL24214
-COC(=O)CC1NC(=O)C1(C)C(C)O MOL24215
-COC(=O)CC1NC(=O)C1C(C)O[Si](C)(C)C(C)(C)C MOL24216
-COc1ccc(CC(N)C(=O)N2CC(CO)CC(n3ccc(=O)[nH]c3=O)C2)cc1 MOL24217
-COc1ccc(CC(N)C(=O)N2CC(CO)CC(n3ccc(=O)[nH]c3=O)C2)cc1 MOL24218
-COc1ccc(CC(N)C(=O)N2CC(CO)CC(n3cnc4c(N(C)C)ncnc43)C2)cc1 MOL24219
-COc1ccc(CC(N)C(=O)N2CC(CO)CC(n3cnc4c(N(C)C)ncnc43)C2)cc1 MOL24220
-COCN(C)c1nc(N(C)C)nc(N(C)C)n1 MOL24221
-CCSCN(C)c1nc(N(C)C)nc(N(C)C)n1 MOL24222
-COc1ccc(N(C)CN(C)c2nc(N(C)C)nc(N(C)C)n2)cc1 MOL24223
-CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2nc(N(C)C)nc(N(C)C)n2)n1 MOL24224
-Cl.NCCCCC(=O)c1cccnc1 MOL24225
-CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4nc(-c5ccccc5)cs4)CCC32)C1 MOL24226
-CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4nc(C)cs4)CCC32)C1 MOL24227
-COc1csc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)n1 MOL24228
-CCOc1csc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)n1 MOL24229
-CCCOc1csc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)n1 MOL24230
-CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3nc(-c4ccccc4)cs3)CCC12 MOL24231
-Cc1csc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)n1 MOL24232
-COc1csc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)n1 MOL24233
-CCOc1csc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)n1 MOL24234
-CCCOc1csc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)n1 MOL24235
-CC12CCC(OC(=O)CCC(=O)O)CC1=CCC1C2CCC2(C)C(c3nc(-c4ccccc4)cs3)CCC12 MOL24236
-Cc1csc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)n1 MOL24237
-COc1csc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)n1 MOL24238
-CCOc1csc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)n1 MOL24239
-CCCOc1csc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)n1 MOL24240
-CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4ncc(-c5ccccc5)s4)CCC32)C1 MOL24241
-CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4ncc(C)s4)CCC32)C1 MOL24242
-COc1cnc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)s1 MOL24243
-CCOc1cnc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)s1 MOL24244
-CCCOc1cnc(C2CCC3C4CC=C5CC(OC(C)=O)CCC5(C)C4CCC23C)s1 MOL24245
-CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3ncc(-c4ccccc4)s3)CCC12 MOL24246
-Cc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1 MOL24247
-COc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1 MOL24248
-CCOc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1 MOL24249
-CCCOc1cnc(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)s1 MOL24250
-CC12CCC(OC(=O)CCC(=O)O)CC1=CCC1C2CCC2(C)C(c3ncc(-c4ccccc4)s3)CCC12 MOL24251
-Cc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1 MOL24252
-COc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1 MOL24253
-CCOc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1 MOL24254
-CCCOc1cnc(C2CCC3C4CC=C5CC(OC(=O)CCC(=O)O)CCC5(C)C4CCC23C)s1 MOL24255
-Nc1ccc(O)c(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL24256
-COc1ccc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1OC MOL24257
-COc1cc(OC)c(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC MOL24258
-COc1cc(C(=O)O[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC MOL24259
-COc1ccccc1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL24260
-CSc1ncccc1C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL24261
-Nc1ccccc1S[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL24262
-c1ccc([Sn](Sc2ccccn2)(c2ccccc2)c2ccccc2)cc1 MOL24263
-[N-]=[N+]=NC1(c2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O MOL24264
-[N-]=[N+]=Nc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c2ccccc12 MOL24265
-CCc1c(N=[N+]=[N-])c2ccccc2oc1=O MOL24266
-[N-]=[N+]=Nc1cc(O)nnc1-c1ccccc1 MOL24267
-[N-]=[N+]=Nc1cccc(-c2nnc(Cl)cc2O)c1 MOL24268
-[N-]=[N+]=NC1(N=[N+]=[N-])C(=O)NN=C(c2ccccc2)C1=O MOL24269
-[N-]=[N+]=Nc1cc(=O)n2c3c(cccc13)CCC2 MOL24270
-[N-]=[N+]=NC1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O MOL24271
-[N-]=[N+]=Nc1cc(=O)n(-c2ccccc2)c2ccccc12 MOL24272
-[N-]=[N+]=Nc1cc(=O)oc2ccccc12 MOL24273
-COC(=O)c1nn(-c2ccccc2)c(=O)cc1N=[N+]=[N-] MOL24274
-Cn1nc(-c2ccccc2)c(N=[N+]=[N-])cc1=O MOL24275
-Cc1cc(=O)oc2c(C)c(OCCCOc3ccc4c(C)cc(=O)oc4c3C)ccc12 MOL24276
-Cc1c(OCCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2C)ccc2c(=O)cc(-c3ccccc3)oc12 MOL24277
-CCCCCCc1cc2c(C)c(C)c(=O)oc2cc1OCCCOc1cc2oc(=O)c(C)c(C)c2cc1CCCCCC MOL24278
-O=c1cc(-c2ccccc2)oc2cc(OCC(O)COc3ccc4c(=O)cc(-c5ccccc5)oc4c3)ccc12 MOL24279
-CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 MOL24280
-CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)Nc1c(Cl)cccc1Cl MOL24281
-CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)Nc1c(Cl)cccc1Cl MOL24282
-CC(C)(Oc1ccc2c(=O)cc(-c3ccc(Cl)cc3)oc2c1)C(=O)Nc1c(Cl)cccc1Cl MOL24283
-CC(C)(Oc1ccc(C=CC(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl MOL24284
-N#CNC1=NC(Cc2ccccc2)C(=O)N1CCc1c[nH]c2ccccc12 MOL24285
-N#CNC1=NCCC(=O)N1CCc1c[nH]c2ccccc12 MOL24286
-CSC(=NCCc1c[nH]c2ccccc12)NC#N MOL24287
-N#CNC(=NCCc1c[nH]c2ccccc12)NCc1ccccc1 MOL24288
-N#CNC(=NCCc1c[nH]c2ccccc12)Oc1ccccc1 MOL24289
-COC(=O)CC1N=C(NC#N)N(CCc2c[nH]c3ccccc23)C1=O MOL24290
-NC(=O)NC1=NC(Cc2ccccc2)C(=O)N1Cc1ccccc1 MOL24291
-CC1(C)OC2C(CO)OC(N=C(NC#N)Oc3ccccc3)C2O1 MOL24292
-COC(=O)CCCN(C)c1n[nH]c(=N)[nH]1 MOL24293
-COC(=O)c1ccccc1NCc1cc(O)ccc1O MOL24294
-O=S(=O)(O)c1cc(NN=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(NN=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL24295
-CC(O)=[OH+].CO[Rh-4]12(OC)(OC)[OH+]C(C)=[O+][Rh-4]13([OH+]C(C)=O)([O+]=C(C)[OH+]2)[n+]1ccccc1-c1cccc[n+]13 MOL24296
-CC(C)=O.FC(F)(F)C1=[O+][Rh+2]234[O+]=C(C(F)(F)F)[OH+][Rh+2]2([O+]=C(C(F)(F)F)[OH+]3)([O+]=C(C(F)(F)F)[OH+]4)[OH+]1 MOL24297
-CN(C)CCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl MOL24298
-CCN(CC)CCCNC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl MOL24299
-CC(C)NCCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl.Cl MOL24300
-CN(C)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl.Cl MOL24301
-CCN(CC)CCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl MOL24302
-CCN(CC)CCCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl.Cl MOL24303
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)o2)cc1 MOL24304
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 MOL24305
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 MOL24306
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 MOL24307
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 MOL24308
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 MOL24309
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 MOL24310
-COc1cccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)c1 MOL24311
-COc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)cc1 MOL24312
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 MOL24313
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 MOL24314
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 MOL24315
-CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 MOL24316
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1 MOL24317
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1 MOL24318
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 MOL24319
-Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 MOL24320
-Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 MOL24321
-Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 MOL24322
-COc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 MOL24323
-COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1 MOL24324
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1Cl MOL24325
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1Cl MOL24326
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(Cl)c1 MOL24327
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1 MOL24328
-CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 MOL24329
-Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C)c1 MOL24330
-O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] MOL24331
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccccc1 MOL24332
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 MOL24333
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1cccc([N+](=O)[O-])c1 MOL24334
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccccc1[N+](=O)[O-] MOL24335
-Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1 MOL24336
-Cc1cccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)c1 MOL24337
-Cc1ccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)cc1 MOL24338
-COc1cccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)c1 MOL24339
-COc1ccc(NC(=O)CSc2nnc(-c3ccc(N=Cc4ccc(Cl)cc4)cc3)o2)cc1 MOL24340
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc(Cl)cc1Cl MOL24341
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccccc1Cl MOL24342
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1cccc(Cl)c1 MOL24343
-O=C(CSc1nnc(-c2ccc(N=Cc3ccc(Cl)cc3)cc2)o1)Nc1ccc(Cl)cc1 MOL24344
-COCOc1ccc(Cn2c(=O)n(C)c(=O)c3c2ncn3C)cc1[N+](=O)[O-] MOL24345
-CCOC12CC(OC)C3(O)CC(C1C3OCc1ccccc1)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43 MOL24346
-CCOC12CC(OC)C3(O)CC(C1C3O)C13C(OC)CC(O)C4(COC)CN(CC)C1C2C(OC)C43 MOL24347
-O=C1c2ccccc2C(=O)C2C3c4ccccc4C(c4ccccc43)C12 MOL24348
-C=C(CC(NC(=O)c1ccc(C(CC)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O MOL24349
-CC12CCC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)C34OC3CCC4=O)CCC12 MOL24350
-C=C1CC2OC2(C(=O)OC2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C)C1=O MOL24351
-CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2OC(=O)C12OC1CCC2=O MOL24352
-CC1=NC(=Cc2ccc(N)cc2)C(=O)N1Nc1nnc(NN2C(=O)C(=Cc3ccc(N)cc3)N=C2C)c2ccccc12 MOL24353
-COc1ccc(C=C2N=C(c3ccccc3)N(Nc3nnc(NN4C(=O)C(=Cc5ccc(OC)cc5)N=C4c4ccccc4)c4ccccc34)C2=O)cc1 MOL24354
-COc1cc(OC)c(C=C2N=C(C)N(Nc3nnc(NN4C(=O)C(=Cc5c(OC)cc(OC)cc5OC)N=C4C)c4ccccc34)C2=O)c(OC)c1 MOL24355
-CS(=O)(=O)C(C#N)c1nc2ccccc2nc1Cl MOL24356
-Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2-n2ccnc2)cc1 MOL24357
-Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2-n2cccn2)cc1 MOL24358
-N#Cc1c2nc3ccccc3nc2n2ccc3ccccc3c12 MOL24359
-Cc1ccc(S(=O)(=O)c2c(N)n(CCN(C)C)c3nc4ccccc4nc23)cc1 MOL24360
-Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n2ccnc12 MOL24361
-C[n+]1ccn2c3nc4ccccc4nc3c([O-])c(C#N)c21 MOL24362
-C[n+]1c(Cl)cn2c3nc4ccccc4nc3c([O-])c(C#N)c21 MOL24363
-Cn1c2ccccc2n2c3nc4ccccc4nc3c(C#N)c12 MOL24364
-Cc1ccc(S(=O)(=O)C2=c3ncccc3=C3C(=O)c4ccccc4C(=O)C32)cc1 MOL24365
-COC1ON=C(c2c(C)cc(C)cc2C)C1C1(c2ccccc2)ON=C(c2c(C)cc(C)cc2C)O1 MOL24366
-c1ccc2c(c1)nc(NC1CCCC1)c1nc(C3CCCC3)[nH]c12 MOL24367
-COC(=O)C1C(C(=O)OC)C12C=Cc1ccccc1C=C2 MOL24368
-CC1(C)OC2C3OC(C(Cl)(Cl)Cl)=NC3C(I)C(N3C(=O)c4ccccc4C3=O)C2O1 MOL24369
-COC1C(OC(C)=O)C(NC(=O)C(Cl)(Cl)Cl)C(I)C(N2C(=O)c3ccccc3C2=O)C1OC MOL24370
-CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O MOL24371
-CCCCCCCCCCCCC(Br)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O MOL24372
-CCSCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O MOL24373
-CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL24374
-O=C(O)c1ccc(Nc2nc3nn(Cc4ccccc4)cc3c(=O)s2)cc1 MOL24375
-CC1CSC(=S)N1C(=O)N1C(=S)SCC1C MOL24376
-O=C1OCc2nc3c(c(-c4ccccc4C(F)(F)F)c21)C(=O)OC3 MOL24377
-COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)c(OC)c3o2)ccc1O MOL24378
-CSc1nc(SC)c2nc(Nc3ccccc3)sc2n1 MOL24379
-N=c1c2nc(Nc3ccccc3)sc2[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1 MOL24380
-NC(=O)c1ccc(S(=O)(=NS(=O)(=O)c2ccccc2)c2ccc(C(N)=O)cc2)cc1 MOL24381
-CC(=O)Nc1ccc(S(=O)(=O)c2nnc(NC(C)=O)s2)cc1 MOL24382
-N=c1[nH]nc(Sc2ccc([N+](=O)[O-])cc2)s1 MOL24383
-O=S(=O)(N=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 MOL24384
-CC(=O)Nc1ccc(S(=O)c2ccc(NC(C)=O)cc2)cc1 MOL24385
-CC1SC(=O)SC1C MOL24386
-N=c1[nH]nc(Sc2ccc(N)cc2)s1 MOL24387
-CC(=O)Nc1ccc(Sc2nnc(NC(C)=O)s2)cc1 MOL24388
-Cc1ccc(S(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 MOL24389
-O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1 MOL24390
-Cc1ccc(S(Cc2ccccc2)=NS(=O)(=O)c2ccc(C)cc2)cc1 MOL24391
-O=S(=O)(N=S(c1ccccc1)c1ccccc1)c1ccccc1 MOL24392
-COc1ccc(S(=O)c2ccc(OC)cc2)cc1 MOL24393
-CN(C)c1ccc(S(=O)c2ccc(N(C)C)cc2)cc1 MOL24394
-Cc1ccc(S(=O)c2cccs2)cc1 MOL24395
-CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 MOL24396
-CC(=O)Nc1nnc(S(C)(=O)=O)s1 MOL24397
-Cc1cc(C)c(NS(=O)c2cccc(Cl)c2)c(C)c1 MOL24398
-Cc1cc(C)c(NS(=O)c2cccc(C(F)(F)F)c2)c(C)c1 MOL24399
-Cc1cc(C)c(NS(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 MOL24400
-Cc1cc(C)c(NS(=O)c2ccc(Cl)cc2)c(C)c1 MOL24401
-CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Nc1ccccc1 MOL24402
-CCOC(=O)N(c1ccccc1)N(CC)C(=O)C(C)=NNc1ccc([N+](=O)[O-])cc1 MOL24403
-O=Cn1c2ccccc2c2ccccc21 MOL24404
-O=[N+]([O-])c1ccc(NSc2ccccc2)cc1 MOL24405
-COc1ccc(N(C)Sc2ccccc2)cc1 MOL24406
-CC(=O)Oc1ccc(Nn2c3ccccc3c3ccccc32)c(C)c1 MOL24407
-CC12N=NN(c3ccc([N+](=O)[O-])cc3)C1(O)c1ccccc1C2=O MOL24408
-COc1cc2c(cc1OC)C(=O)N1CCCC1C(=O)S2 MOL24409
-O=C1c2ccccc2SC(O)C2CCCN12 MOL24410
-O=C1Sc2ccccc2C(=O)N2CCSC12 MOL24411
-O=C1Sc2ccccc2C(=O)N2CSCC12 MOL24412
-O=C(NC(CO)C(=O)NC1c2ccsc2C(=O)C1O)OCc1ccccc1 MOL24413
-COc1ccc(N=C([N-]n2c(=O)c(C)nn(C)c2=S)N(c2ccc(OC)cc2)c2n[n+]3c(=O)c(C)nn(C)c3s2)cc1 MOL24414
-CCOC12SC(Nc3ccc(C)cc3)=NN1C(=S)N(C)N=C2C MOL24415
-CNC(=S)N(C)C(=S)Nn1c(=O)c(C)nn(C)c1=S MOL24416
-CCNC1=Nc2ccccc2-n2c(nn3nc4ccccc4c23)N1CC MOL24417
-CN1N=C2NCCNC3=NN(C)C(=NCCN=C1S2)S3 MOL24418
-CSC(=S)N(C)NC(=O)c1cccc(C(=O)NN(C)C(=S)SC)n1 MOL24419
-Cn1nc(-c2cccc(-c3nn(C)c(=NCCO)s3)n2)sc1=NCCO MOL24420
-CCOC(CC(O)C1COC(=S)S1)OCC MOL24421
-CCOC(CC(O[Si](C)(C)C(C)(C)C)C1COC(=S)S1)OCC MOL24422
-CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCC MOL24423
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)OCc1ccccc1)C(C)C MOL24424
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)O)C(C)C MOL24425
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)OCc1ccccc1)C(C)C)C(C)C MOL24426
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)O)C(C)C)C(C)C MOL24427
-CC(C)C(C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(C)C)C(C)C)N(C)C MOL24428
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)OCc1ccccc1)C(C)C MOL24429
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)O)C(C)C MOL24430
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)N(C)C(C(=O)O)C(C)C)C(C)C MOL24431
-CC1(C)SC(c2ccccc2C(=O)O)NC1CC(=O)O MOL24432
-CCCC(=O)NC(Cc1cc(I)c(O)c(I)c1)C(=O)NCCCNCCCCNCCCNC(=O)C(N)CCCNC(=N)N.O=C(O)C(F)(F)F MOL24433
-CCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCNC(=O)C(N)CCCNC(=N)N.O=C(O)C(F)(F)F MOL24434
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c7cc8ccccc8cc7c7n6CCS7)n5)ccc4C3CCC21C MOL24435
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-n6c(C)nc7cc8ccccc8cc76)n5)ccc4C3CCC21C MOL24436
-CCCCCC=C(c1ccc(OC)c(S(=O)(=O)N(C)C)c1)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 MOL24437
-COc1ccc(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C=O)c2)cc1S(=O)(=O)N(C)C=O MOL24438
-CCSc1nnc(-c2ccccc2)nc1Cc1ccc(OC)cc1 MOL24439
-Cc1nc2nnc(C)n2c2c1C(=O)Nc1ccccc1N2 MOL24440
-Cc1nc2nnnn2c2c1C(=O)Nc1ccccc1N2 MOL24441
-Cc1ccc(C=NNC2c3cc(Cl)ccc3Nc3nc(O)nc(C)c32)cc1 MOL24442
-Cc1nc(O)nc2c1C(NCCCN(C)C)c1cc(Cl)ccc1N2 MOL24443
-CC(=O)NC(CS)C(=O)[OH+][Pt-2](N)(N)[OH+]C(=O)C(CS)NC(C)=O MOL24444
-CC(=O)OC1CC2(C)OC(Cc3ccccc32)O1 MOL24445
-CC12CC(=O)OC(Cc3ccccc31)O2 MOL24446
-CC(=O)OC1CC2OC(Cc3ccccc32)O1 MOL24447
-CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c2ccccc2oc1=O MOL24448
-C=CC1(C)CCC(C(C)C(=O)C(C=C(C)C)OC(C)=O)C12C(=O)Oc1ccccc1C2=O MOL24449
-C=C1CCC2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1 MOL24450
-CC1(O)CCC2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1 MOL24451
-COc1nc(N)c(NC2OCC(O)C(O)C2O)c(=O)n1C MOL24452
-COc1nc(N)c(NC2OCC(O)C(O)C2O)c(=O)n1C MOL24453
-COc1nc(NC2OCC(O)C(O)C2O)c(NC2OCC(O)C(O)C2O)c(=O)n1C MOL24454
-CCN(CC)C(=O)c1c(Cl)cc(N(CC)CC)oc1=O MOL24455
-CCN(CC)C(=O)c1c(N2CCOCC2)cc(N(CC)CC)oc1=O MOL24456
-CCN(CC)C(=O)Cc1[nH][nH]c(=O)c1C(=O)N(CC)CC MOL24457
-CCN(CC)C(=O)Cc1c(C(=O)N(CC)CC)c(=O)nc2sccn12 MOL24458
-CCN1C(=O)N(C)C(O)c2c1nc1ccccn1c2=O MOL24459
-CN1C(=O)N(C)C(N2CCCC2)c2c1nc1ccccn1c2=O MOL24460
-CSc1nnc2n1-c1ccccc1SCC2 MOL24461
-c1ccc(C2=NN(c3ccccc3)C3(S2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 MOL24462
-CC(=O)C1=NN(c2ccccc2)C2(S1)SC(c1ccccc1)(c1ccccc1)c1ccccc12 MOL24463
-CC1(C)CC(=O)C2=C(C1)SC(=C1SC3=C(S1)C(=O)CC(C)(C)C3)S2 MOL24464
-Cc1cc2oc(=O)[nH]c(=S)c2c(C)c1C MOL24465
-Nc1ccccc1C(=O)C(Br)C(Br)c1ccc2c(c1)OCO2 MOL24466
-O=C(CC(CC(=O)Oc1c(Br)cc(Br)cc1C(=O)O)C(=O)Oc1c(Br)cc(Br)cc1C(=O)O)Oc1c(Br)cc(Br)cc1C(=O)O MOL24467
-NC(CCCC(N)P(=O)(O)c1ccccc1)P(=O)(O)c1ccccc1 MOL24468
-O=c1oc2cc(O)ccc2c2[nH]c3cc(O)ccc3c12 MOL24469
-NC(=O)c1ccc2cc(O)c(O)cc2c1 MOL24470
-Cl.NC(=O)c1cnc2cc(O)c(O)cc2c1 MOL24471
-Cl.NC(=O)c1cc2cc(O)c(O)cc2cn1 MOL24472
-Cl.NC(=O)c1cc2ccc(O)c(O)c2cn1 MOL24473
-COC(=O)c1cc2ccc(O)c(O)c2cn1.Cl MOL24474
-Cl.O=C(O)c1cc2ccc(O)c(O)c2cn1 MOL24475
-COC(=O)c1cc2ccc(OC(C)=O)c(OC(C)=O)c2cn1 MOL24476
-Cl.O=C(Nc1ccccc1)c1cc2cc(O)c(O)cc2cn1 MOL24477
-Cl.O=C(Nc1ccccc1)c1cc2ccc(O)c(O)c2cn1 MOL24478
-Cl.O=C(NCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1 MOL24479
-O=C(O)c1cc(C=Cc2cc(O)ccc2O)ccc1O MOL24480
-O=C(O)c1cc(N=Cc2cc(O)ccc2O)ccc1O MOL24481
-O=C(O)c1cc(CCc2cc(O)ccc2O)ccc1O MOL24482
-OCC1CC(F)C(n2cnc3c(Br)ncnc32)O1 MOL24483
-OCC1CC(F)C(n2cnc3c(I)ncnc32)O1 MOL24484
-CN(C)c1ncnc2c1ncn2C1OC(CO)CC1F MOL24485
-CCNc1ncnc2c1ncn2C1OC(CO)CC1F MOL24486
-OCC1CC(F)C(n2cnc3c(NO)ncnc32)O1 MOL24487
-CONc1ncnc2c1ncn2C1OC(CO)CC1F MOL24488
-OCC1CC(F)C(n2cnc3c(NOCc4ccccc4)ncnc32)O1 MOL24489
-C[N+]1(C)CCCC1C(=O)[O-] MOL24490
-C[N+]1(C)CC(O)CC1C(=O)[O-] MOL24491
-C=C(C)C1CC=C(C)CCCC2(CCC3=C(CC(C(=C)C)CC=C(C)CCC3)O2)C(=O)C1 MOL24492
-C=CC(=O)c1ccc2c(c1)OCCOCCOCCOCCOCCO2 MOL24493
-CC(=O)OC12CCCCC1C1(O)C(O)CCCCC21 MOL24494
-CC(=O)OC12CCCCC1C1(O)C(O)CCCCC21 MOL24495
-CC(=O)OC12CCCCCC1C1(O)C(O)CCCCC21 MOL24496
-CC(=O)OC12CCCCCC1C1(O)C(O)CCCCC21 MOL24497
-O=C(O)OC12CCCCCC1C(=O)C1CCCCC12 MOL24498
-O=C1C2=C(CCCCC2)C2CCCCC12O MOL24499
-CC(=O)OC12CCCCCCC1C1(O)C(O)CCCC21 MOL24500
-CC(=O)OC12CCCCCC1C1(O)C(O)CCCC21 MOL24501
-C1=C2CCC(Sc3ccccc3)C2C2(CCCCC1)OCCO2 MOL24502
-O=C1CCCCCC=C2CCC(Sc3ccccc3)C12 MOL24503
-O=C1CCCCCCC2=C1C(Sc1ccccc1)CC2 MOL24504
-CC(=O)OC12CCCC1C1(O)C(O)CCCC21 MOL24505
-CC(=O)OC12CCCC1C1(O)C(O)CCCC21 MOL24506
-OC12CCC3(OC4CCCCO4)c4ccccc4C3C1c1ccccc12 MOL24507
-OC12CCC3(O)c4ccccc4C3C1c1ccccc12 MOL24508
-COc1ccc2c(c1OC)C(=O)C2 MOL24509
-OC12c3ccccc3C1CCCCC2N1CCCC1 MOL24510
-OC12c3ccccc3C1CCCCC2N1CCOCC1 MOL24511
-NC1CCC2(O)c3ccccc3C2C1 MOL24512
-CCCC(=O)Nc1ccc(O)c2c1C1CCCCCC21 MOL24513
-OC12c3ccccc3C1CCCC2N1CCOCC1 MOL24514
-CC(C)NC1CCCCC2c3ccccc3C12O MOL24515
-CC(=O)OC12C(=NO)CCCCCC1c1ccccc12 MOL24516
-CCN(CC)c1cccc2c1C(=NO)CCCC2 MOL24517
-Cl.OC12CCCCCC1(N1CCOCC1)c1ccccc12 MOL24518
-c1ccc2c(c1)C1CCCCCC21N1CCOCC1 MOL24519
-CC(C)(C)C(=O)OC12C(=NO)CCCCCC1c1ccccc12 MOL24520
-COc1cccc2c1C1OC(=O)NC1CCCCC2 MOL24521
-COc1cc(CCCC(O)COc2cccc3c2C2(O)CCCCCC32)cc(OC)c1.O=C(O)C(=O)O MOL24522
-CC(C)NC1CCCCC2c3cc(F)ccc3C12O.Cl MOL24523
-OC12c3ccccc3C1(N1CCOCC1)CCCCC21OCCCO1 MOL24524
-O=C1c2ccccc2CCCCCCCCCCC12OCCCO2 MOL24525
-CCN(CC)c1ccc(Cl)c2c1C(O)(C(C)C)C2(C)C MOL24526
-CCN(CC)c1cccc2c1C1(O)CCC3(CC21)OCCCCO3 MOL24527
-CC(=O)OC1c2ccccc2CCCCCCC12OCCO2 MOL24528
-CC1(c2cccc(C3CC4(CCC3=O)OCCCCO4)c2)OCCO1 MOL24529
-COC(OC)c1cccc2c1C(=O)CCC1(CC2)OCCCCO1 MOL24530
-COc1cccc2c1C(=O)C1(O)CCCCC21 MOL24531
-CC1(c2cccc(C3CCC4(C=CC3=O)OCCO4)c2)OCCO1 MOL24532
-OC12c3ccccc3C1CCCCCC21OCCCO1 MOL24533
-CC(=O)OC12c3ccccc3C1CCCCCC21OCCCO1 MOL24534
-COC(OC)c1cccc2c1C1(O)CCC3(CC21)OCCCCO3 MOL24535
-OC12c3ccccc3C1CCCCCCCCCC21OCCO1 MOL24536
-COc1cccc2c1C1(O)C2CCCCCCCCCC12OCCCO2 MOL24537
-Cc1ccc(C)c2c1C1CCCCC3(OCCCO3)C21O MOL24538
-COc1cccc2c1C1(O)C2CCCC12OCCCO2 MOL24539
-COc1cccc2c1C1(O)C(O)CCCC21 MOL24540
-CC1(c2cccc3c2C2(O)C=CC4(CCC32)OCCO4)OCCO1 MOL24541
-CC(=O)OC12c3ccccc3C1CCCC21OCCCO1 MOL24542
-OC12c3ccccc3C3CCC4(OCCO4)C3C1c1ccccc12 MOL24543
-OC12CCC(=NOCc3ccccc3)CC1c1ccccc12 MOL24544
-COC1(OC)CCCCC2c3cccc(OC(C)=O)c3C21OC(C)=O MOL24545
-OC12c3ccccc3C1CCCCCCCCCC21OCCCO1 MOL24546
-COC(OC)c1cccc2c1C(=O)CCC1(O)c3ccccc3C1C2 MOL24547
-O=C1CCC2(O)c3ccccc3C2Cc2ccccc21 MOL24548
-CC1=CCC(O)C=CC(C)C(O)C(C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(N)=C(NC(=O)C=CC=CC=CC(C)C(O)CC1=O)C3=O MOL24549
-CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccccc2)cc1 MOL24550
-COc1ccc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc1 MOL24551
-CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccc(O)cc2)cc1 MOL24552
-CC(=O)Nc1ccc(C(=O)NN2C(=O)CSC2c2ccc([N+](=O)[O-])cc2)cc1 MOL24553
-COc1ccc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 MOL24554
-COc1cc(C2SCC(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC MOL24555
-O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccccc2)SC1=Nc1ccccc1 MOL24556
-O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccccc2O)SC1=Nc1ccccc1 MOL24557
-COc1ccc(C=C2SC(=Nc3ccccc3)N(NC(=O)Cc3ccccc3)C2=O)cc1 MOL24558
-O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccc(O)cc2)SC1=Nc1ccccc1 MOL24559
-O=C(Cc1ccccc1)NN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=Nc1ccccc1 MOL24560
-O=C(Cc1ccccc1)NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=Nc1ccccc1 MOL24561
-O=C(Cc1ccccc1)NN1C(=O)C(=Cc2cccc(O)c2)SC1=Nc1ccccc1 MOL24562
-COc1ccc(C=C2SC(=Nc3ccccc3)N(NC(=O)Cc3ccccc3)C2=O)c(OC)c1 MOL24563
-O=C1CSC(c2c[nH]c3ccccc23)N1c1cccc(Cl)c1 MOL24564
-O=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 MOL24565
-COc1ccccc1N1C(=O)CSC1c1c[nH]c2ccccc12 MOL24566
-COc1cccc(N2C(=O)CSC2c2c[nH]c3ccccc23)c1 MOL24567
-COc1ccc(N2C(=O)CSC2c2c[nH]c3ccccc23)cc1 MOL24568
-O=C1CSC(c2c[nH]c3ccccc23)N1c1ccccc1[N+](=O)[O-] MOL24569
-O=C1CSC(c2c[nH]c3ccccc23)N1c1cccc([N+](=O)[O-])c1 MOL24570
-O=C1CSC(c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1Cl MOL24571
-O=C(Cn1cc(I)c(C(=O)NCC(O)CO)n1)NCC(O)CO MOL24572
-O=S1(=O)c2ncn(COCCO)c2N=C2NC(c3ccccc3)=[O+][Ag-][NH+]21 MOL24573
-CCCCCn1cnc2c1S(=O)(=O)N(C)C(NC(=O)c1ccccc1)=N2 MOL24574
-CC1(SCC(N)C(=O)O)CC(=O)NC1=O MOL24575
-CC12N=NNC1C(=O)NC2=O MOL24576
-O=C1OC2C(O)COC2(O)C1(O)C(C[N+](=O)[O-])c1ccc(Cl)cc1 MOL24577
-Cc1c2n(c(=O)[nH]c1=O)C1OC(CO)C(O2)C1N=[N+]=[NH2+] MOL24578
-Cc1c2n(c(=O)[nH]c1=O)C1OC(CO)C(N=[N+]=[NH2+])C1O2 MOL24579
-Cc1c2n(c(=O)[nH]c1=O)C1OC(CO)C(O2)C1O MOL24580
-CC12C(=CC(=O)CC1SCCS(=O)(=O)O)C(C#N)=C(N)N2c1ccc(Cl)c(Cl)c1.[NaH] MOL24581
-C=CCC(N(C)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 MOL24582
-COC(=O)C(Cc1ccccc1)NC(=O)C(=CC(C)C)NC(=O)C(CCSC)NC=O MOL24583
-N#CC(c1nc2ccccc2[nH]1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 MOL24584
-COc1ccc(C=c2sc(=C(C#N)c3nc4ccccc4[nH]3)n(-c3ccccc3)c2=O)cc1 MOL24585
-N#CC(c1nc2ccccc2[nH]1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 MOL24586
-N#CC(=C(S)Nc1ccccc1)c1nc2ccccc2[nH]1 MOL24587
-Cc1ccc(N2C(=O)CSC2=C(C#N)c2nc3ccccc3[nH]2)cc1 MOL24588
-Cc1ccc(SC23C=CC(CC24CCOC4=O)OC3=O)cc1 MOL24589
-O=C1OC2C=CC1C1(CCOC1=O)C2 MOL24590
-CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)CC1C MOL24591
-COc1ccc(C=C(Cl)c2ccc(OC)cc2)cc1 MOL24592
-COc1ccc(C=C(Cl)c2ccc(OC)c(OC)c2)cc1OC MOL24593
-CN(C)CN(C)c1nc(N(C)C)nc(N(C)CN(C)C)n1 MOL24594
-COc1ccc(C2Oc3cc(OC)c(OC)cc3C2CCl)cc1OC MOL24595
-COc1ccc(C(=Cn2ccnc2)C(=O)c2ccc(OC)c(OC)c2)cc1 MOL24596
-CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1 MOL24597
-CC1(C(=O)O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 MOL24598
-CC(C)=CCC1(O)C(=O)c2ccccc2C1(O)C(=O)O MOL24599
-C=CC(C)(C)c1nc[nH]c1C=C1NC(=O)C(C(C)C)NC1=O MOL24600
-COc1ccccc1-n1c(N)c2c(C)c(-c3ccccc3)[nH]c2nc1=S MOL24601
-CC(C)(C)C(=O)OCC1OC(N=[N+]=[N-])C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C MOL24602
-COC(=O)C(NC(=O)c1ccccc1)c1ccco1 MOL24603
-NCCCCNCCCNC(=O)c1csc(-c2nc(CCN)sc2Cl)n1 MOL24604
-Cl.NCCCCNCCCNC(=O)c1nc(-c2csc(CCN)n2)sc1Cl MOL24605
-Cl.NCCCCNCCCNC(=O)c1nc(-c2nc(CCN)sc2Cl)sc1Cl MOL24606
-CC(C)(C)OC(=O)NCCC(N)=S MOL24607
-CCOC(=O)c1csc(-c2nc(CCNC(=O)c3ccccc3)sc2Cl)n1 MOL24608
-COC(=O)c1csc(-c2csc(CCNC(=O)OC(C)(C)C)n2)n1 MOL24609
-COC(=O)c1csc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Br)n1 MOL24610
-COC(=O)c1nc(-c2nc(CCNC(=O)OC(C)(C)C)sc2Cl)sc1Cl MOL24611
-CON(C)C(=O)C(C)NC(=O)OCc1ccccc1 MOL24612
-CON(C)C(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 MOL24613
-CON(C)C(=O)C(C)N(Cc1ccccc1)Cc1ccccc1 MOL24614
-CON(C)C(=O)C(C)NC(=O)OC(C)(C)C MOL24615
-CON(C)C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C MOL24616
-CC(C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL24617
-O=C(OCc1ccccc1)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL24618
-CCCCCCCCCC1CC(O)C(Cc2ccccc2)N1C(=O)OC(C)(C)C MOL24619
-COc1cc(OC)cc(C(=O)CC(=O)c2cc(OC)cc(OC)c2)c1 MOL24620
-COc1ccc(C=CC(=O)c2ccc3c(c2)OCO3)cc1OC MOL24621
-C1=CC2c3ccc4cnccc4c3NCC2C1 MOL24622
-COc1cc2c(cc1OC)C1=Cc3cc(OC)c(OC)cc3C(C)N1C=C2 MOL24623
-COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4c([O-])c3c2cc1OC MOL24624
-COc1cc(COC(=O)N2CCCCC2C(=O)O)c([N+](=O)[O-])cc1OC MOL24625
-COc1cc(COC(=O)N2CSCC2C(=O)O)c([N+](=O)[O-])cc1OC MOL24626
-COc1cc(COC(=O)N(C)C(Cc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC MOL24627
-COc1cc(COC(=O)N2CCC2C(=O)O)c([N+](=O)[O-])cc1OC MOL24628
-COc1cc(COC(=O)NC(Cc2cccs2)C(=O)O)c([N+](=O)[O-])cc1OC MOL24629
-COc1cc(COC(=O)NC(C(=O)O)C(C)(C)C)c([N+](=O)[O-])cc1OC MOL24630
-COc1cc(COC(=O)N2CC=CC2C(=O)O)c([N+](=O)[O-])cc1OC MOL24631
-COc1cc(COC(=O)N(CC(=O)O)c2ccccc2)c([N+](=O)[O-])cc1OC MOL24632
-COC(=O)C(Cc1ccccc1)NNC(=O)OC(C)(C)C MOL24633
-CC(C)(C)OC(=O)NCC(O)CNC(=O)OC(C)(C)C MOL24634
-CC(C)(C)OC(=O)NCC(C#N)CNC(=O)OC(C)(C)C MOL24635
-CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(N)=O MOL24636
-NCCCNc1ccc2c(c1)[n+]([O-])c1ccccc1[n+]2[O-] MOL24637
-Cc1cc2c(ccc[n+]2[O-])[n+]([O-])c1 MOL24638
-COc1cc(O)cc(O)c1C(=O)CC(Cl)(Cl)Cl MOL24639
-COC1OC(C)C(=NO)C2OC(C)(C)OC12 MOL24640
-COC1OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C2OC(C)(C)OC12 MOL24641
-C=C1OC2OC(C)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C2O1 MOL24642
-CC1(C)OCC(C(=N)OCc2ccccc2)O1 MOL24643
-COC(=O)NC(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C MOL24644
-CC(O[Si](C)(C)C(C)(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)C(=O)O MOL24645
-CC(OC(C)(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)C(=O)O MOL24646
-CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C MOL24647
-C1CCC(NC2CCCCC2)CC1.CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O MOL24648
-C1CCC(NC2CCCCC2)CC1.CC(OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(=O)O MOL24649
-COC(=O)NC(C(=O)NC(OCc1ccccc1)C1COC(C)(C)O1)C(C)O[Si](C)(C)C(C)(C)C MOL24650
-CSCCCNC(=O)C(CSC)NC(=O)c1csc(CCNC(=O)C(NSc2ccccc2[N+](=O)[O-])C(C)O)n1 MOL24651
-CSCCCNC(=O)c1csc(C(CSC)NC(=O)CCNC(=O)C(NC(=O)OCC(Br)(Br)Br)C(C)O)n1 MOL24652
-CSCCCNC(=O)c1csc(-c2c[s+]c(CCNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)[nH]2)n1 MOL24653
-CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O MOL24654
-CSCCCNC(=O)c1csc(-c2c[s+]c(CCNC(=O)CNC(=O)OC(C)(C)C)[nH]2)n1 MOL24655
-CSCCCNC(=O)c1csc(-c2c[s+]c(CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)[nH]2)n1 MOL24656
-CSCCCNC(=O)c1csc(-c2c[s+]c(CCN)[nH]2)n1.Cl MOL24657
-COC(=O)CC1CCC(c2ccn(S(=O)(=O)c3ccccc3)c2)=NO1 MOL24658
-COc1ccc2c(c1)CCC(OS(=O)(=O)CC13CCC(CC1=O)C3(C)C)C2=O MOL24659
-CC12CCC(=O)N1c1cnccc1N2 MOL24660
-O=C1CCC2(c3ccccc3)Nc3ccncc3N12 MOL24661
-O=C1CCC2(c3ccc(Cl)cc3)Nc3ccncc3N12 MOL24662
-CC12CCC(=O)N1c1cncnc1N2 MOL24663
-O=C1CCC2(c3ccc(Cl)cc3)Nc3ncncc3N12 MOL24664
-O=C1CCC2(c3ccc(F)cc3)Nc3ncncc3N12 MOL24665
-COC(=NN=Cc1ccccc1F)c1ccncc1 MOL24666
-COC(=NN=Cc1cccc(Cl)c1)c1ccncc1 MOL24667
-COC(=NN=Cc1ccc(Cl)cc1)c1ccncc1 MOL24668
-COC(=NN=Cc1cccc(C(F)(F)F)c1)c1ccncc1 MOL24669
-COC(=NN=Cc1ccc(C(F)(F)F)cc1)c1ccncc1 MOL24670
-COC(=NN=Cc1ccc(Cl)cc1Cl)c1ccncc1 MOL24671
-COC(=NN=Cc1ccc(Cl)c(Cl)c1)c1ccncc1 MOL24672
-COC(=NN=Cc1ccc(OC)cc1OC)c1ccncc1 MOL24673
-COC(=NN=Cc1cc(OC)ccc1OC)c1ccncc1 MOL24674
-COC(=NN=Cc1ccc(OC)c(OC)c1)c1ccncc1 MOL24675
-CC(=NNC(=O)c1ccncc1)c1ccccc1F MOL24676
-CC(=NNC(=O)c1ccncc1)c1cccc(F)c1 MOL24677
-CC(=NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1 MOL24678
-COc1ccc(C(C)=NNC(=O)c2ccncc2)c(OC)c1 MOL24679
-COc1ccc(C(C)=NNC(=O)c2ccncc2)cc1OC MOL24680
-CC(=NNC(=O)c1ccncc1)c1ccc(F)cc1 MOL24681
-Nc1ncnc2c1ncn2C1C(O)C(CO)C1CO MOL24682
-Nc1ncnc2c1ncn2C1C(=O)C(CO)C1CO MOL24683
-N=c1[nH]c2c3nc(Nc4ccccc4)sc3nc(=O)n2c2sc(Nc3ccccc3)nc12 MOL24684
-N=c1[nH]c2c3nc(Nc4ccccc4)sc3nc(=S)n2c2sc(Nc3ccccc3)nc12 MOL24685
-COCc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O MOL24686
-COCc1cn(C2CCC(CO)O2)c(=O)[nH]c1=N MOL24687
-COCc1cn(C2CC(F)C(CO)O2)c(=O)[nH]c1=N MOL24688
-N=c1ccn(C2CSC(CO)CO2)c(=O)[nH]1 MOL24689
-Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1ccnc1[N+](=O)[O-] MOL24690
-Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1ncnc1[N+](=O)[O-] MOL24691
-Cc1ncc([N+](=O)[O-])n1CCN(C)C(=O)CCCn1ccnc1[N+](=O)[O-] MOL24692
-O=C(CCn1ccnc1[N+](=O)[O-])NCCCn1ccnc1[N+](=O)[O-] MOL24693
-COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1c1ccoc1.Cl MOL24694
-COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C1=CC(OC)OC1OC.Cl MOL24695
-COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C(O)CO.Cl MOL24696
-COC(=O)C1=C2Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1C1COC(C)(C)O1.Cl MOL24697
-COC(=O)C1(C(=O)OC)C2=Nc3ccccc3C23CCN(Cc2ccccc2)C3CC1c1ccoc1.Cl MOL24698
-CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CC7CN(CCc8c6[nH]c6ccccc86)CC6CCCCC67)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32.COS(=O)(=O)O MOL24699
-CCC12C=CCN3CCC4(c5cc(C6(C(=O)OC)CC7CN(CCc8c6[nH]c6ccccc86)CC6CCCCC67)c(OC)cc5N(C)C4C(O)(C(=O)OC)C1OC(C)=O)C32.COS(=O)(=O)O MOL24700
-COc1c(O)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(OC)c(O)c(C=O)c4c3O)c(C)cc2c1C(C)C MOL24701
-Cn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1C(=O)Nc1cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH] MOL24702
-Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2cc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)c1.[NaH] MOL24703
-Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.[NaH] MOL24704
-Cl.Cn1cc(N)cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.[NaH] MOL24705
-Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)n(C)c1.[NaH] MOL24706
-Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)ccc23)n(C)c1.[NaH] MOL24707
-Cc1cn(C2C=CCCC2O)c(=O)[nH]c1=O MOL24708
-CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[n+]1cccc2ccccc21)COC.[I-] MOL24709
-Cn1c(=O)c2nc(N3CCCCC3)cnc2n(C)c1=O MOL24710
-Cn1c(=O)c2nc(N3CCOCC3)cnc2n(C)c1=O MOL24711
-Cn1c(=O)c2nc(NCCO)cnc2n(C)c1=O MOL24712
-CCNc1cnc2c(n1)c(=O)n(C)c(=O)n2C MOL24713
-COC(=O)C1=COC2OC3C(=Cc4ccc(O)c(OC)c4)C(=O)OC34C=CC1C24 MOL24714
-C=CCOC(C)n1c(C)cc(=O)n(C(C)OCC=C)c1=O MOL24715
-[O-]c1c2c(nn1-c1ccc(F)cc1)c1ccccc1c[n+]2Cc1ccccc1 MOL24716
-CC(=O)OC1C(C)OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(OC(=O)C=Cc2ccccc2)C1OC(=O)C=Cc1ccccc1 MOL24717
-COc1ccc(N2C(=O)C3c4c(c5ccccc5n4C)C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL24718
-COc1ccc(N2C(=O)c3c(c4[nH]c5ccc(OC)cc5c4c4ccc(C(C)(C)C)cc34)C2=O)cc1 MOL24719
-CCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O MOL24720
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3ccccn3)c21 MOL24721
-CC1=CC(=O)c2ccc3c4ccccc4n(C)c3c2C1=O MOL24722
-Cn1c2ccccc2c2ccc3c(c21)C(=O)C(c1ccccc1)=CC3=O MOL24723
-c1ccc(SCCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 MOL24724
-CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC MOL24725
-CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC MOL24726
-CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC MOL24727
-CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC MOL24728
-CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC MOL24729
-CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC MOL24730
-Cc1ccc(S(=O)(=O)[O-])cc1.O[Ru+2]123(O)(O)(O)C4=C1CCC2=C3CC4 MOL24731
-O=S([O-])(O)=[OH+].O[Ru+2]12345(O)(O)C6=C1C2=C3C4=C65 MOL24732
-CC(=NNC(=S)NNC(=S)N(C)c1ccccc1)c1ccccn1 MOL24733
-COc1ccc(C(Cl)=Cc2cc(OC)ccc2OC)cc1 MOL24734
-COc1ccc(C(Cl)=Cc2ccc(Cl)c(Cl)c2)cc1 MOL24735
-CCOc1ccc(C=C(Cl)c2ccc(OC)cc2)cc1 MOL24736
-CCOc1ccc(C=C(Cl)c2ccc(OC)c(OC)c2)cc1 MOL24737
-COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2)cc1OC MOL24738
-O=c1c2c(c1=O)-c1ccccc1CN2 MOL24739
-CSC1C=C(C(C)C)CCC1(C)SC MOL24740
-CSC1(C)CC2C(CC1N1CCCCC1)C2(C)C MOL24741
-CSC1(C)CC2C(CC1N1CCOCC1)C2(C)C MOL24742
-CSC1CC2C(CC1(C)O)C2(C)C MOL24743
-CC(C)SC1CC2C(CC1(C)O)C2(C)C MOL24744
-CC1(O)CC2C(CC1SCc1ccccc1)C2(C)C MOL24745
-CSC1CC2C(CC1(C)O)C2(C)C MOL24746
-CC(C)SC1CC2C(CC1(C)O)C2(C)C MOL24747
-CC1(O)CC2C(CC1SCCO)C2(C)C MOL24748
-CC1(O)CC2C(CC1SCc1ccccc1)C2(C)C MOL24749
-CC12CC3C(CC1SCC(=O)O2)C3(C)C MOL24750
-CC1(O)CC2C(CC1SC1CC3C(CC1(C)O)C3(C)C)C2(C)C MOL24751
-CC1(S)CC2C(CC1Sc1ccccc1)C2(C)C MOL24752
-CC1(Cl)CC2C(CC1Sc1nnnn1-c1ccccc1)C2(C)C MOL24753
-CC(C)=CCSC1CC2C(CC1(C)O)C2(C)C MOL24754
-CC(C)=CCSC1CC2C(CC1(C)O)C2(C)C MOL24755
-COC1=CCC=C(CC2NCCc3cc(OC)c(OC)cc32)C1 MOL24756
-COP(=O)(OC)C(C#N)=Cc1ccoc1 MOL24757
-CCOP(=O)(OCC)C(C#N)=Cc1ccccc1O MOL24758
-CCOP(=O)(OCC)C(C#N)=Cc1cccs1 MOL24759
-CCOP(=O)(OCC)C(C#N)=CC=Cc1ccco1 MOL24760
-CCOP(=O)(C=Cc1cc(OC)ccc1OC)OCC MOL24761
-CCOP(=O)(C=Cc1cc(OC)ccc1OC)OCC MOL24762
-CCOC(=O)C(=Cc1ccc2ccccc2c1)P(=O)(OCC)OCC MOL24763
-CCOC(=O)C(=Cc1cc(OC)ccc1OC)P(=O)(OCC)OCC MOL24764
-CCOP(=O)(OCC)C(C#N)=Cc1ccccc1OC MOL24765
-CCOP(=O)(OCC)C(C#N)=Cc1ccc2ccccc2c1 MOL24766
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(C)o1 MOL24767
-CCOC(=O)C(=Cc1ccc(C)o1)P(=O)(OCC)OCC MOL24768
-CCOC(=O)C(=Cc1ccc2ccccc2c1)P(=O)(OCC)OCC MOL24769
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(CO)o1 MOL24770
-CCOC(=O)C(=Cc1cc(OC)ccc1OC)P(=O)(OCC)OCC MOL24771
-CCOCc1ccc(C=C(C#N)P(=O)(OCC)OCC)o1 MOL24772
-CCOC(=O)C(=Cc1ccccc1OC)P(=O)(OCC)OCC MOL24773
-CCOP(=O)(OCC)C(C#N)=Cc1cc(OC)ccc1OC MOL24774
-N#CC=Cc1ccc2ccccc2c1 MOL24775
-CCOP(=O)(OCC)C(C#N)=Cc1ccoc1 MOL24776
-CC1=NC(=Cc2ccco2)C(=O)O1 MOL24777
-COP(=O)(OC)C(C#N)=Cc1ccco1 MOL24778
-CCOP(=O)(OCC)C(C#N)=Cc1ccccc1 MOL24779
-CCOC(=O)C(=Cc1ccoc1)P(=O)(OCC)OCC MOL24780
-NC(=O)NC=C1C(=O)Oc2ccccc2C1=O MOL24781
-CCCCNC(=O)NC=C1C(=O)Oc2ccccc2C1=O MOL24782
-O=C(NC=C1C(=O)Oc2ccccc2C1=O)NC1CCCCC1 MOL24783
-O=C(NC=C1C(=O)Oc2ccccc2C1=O)Nc1ccccc1 MOL24784
-NC(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL24785
-C=CCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL24786
-COc1ccc(OC)c(CCc2ccccc2CC(=O)O)c1 MOL24787
-COc1ccc2c(c1)C(=O)Cc1ccccc1CC2 MOL24788
-COc1cccc2c1CCc1ccccc1CC2=O MOL24789
-COc1ccc(CCc2ccccc2CC(=O)O)cc1 MOL24790
-O=C(O)Cc1ccccc1CCc1ccccc1Cl MOL24791
-O=C1Cc2ccccc2CCc2ccsc21 MOL24792
-O=C1C(c2ccccc2)=C(O)c2cccc3cccc1c23 MOL24793
-CN(C)c1nc(Oc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1 MOL24794
-CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)CP(=O)(OC(C)C)OC(C)C MOL24795
-CC(C)(C)OC(=O)NCCc1cccc2c1oc1c(CCC(=O)O)cccc12.[NaH] MOL24796
-O=C(O)CCc1cccc2c1oc1c(CCC(=O)O)cccc12 MOL24797
-COP12(OC)NC(=O)OC1(C(F)(F)F)c1ccccc1O2 MOL24798
-CCOP12(OCC)NC(=O)OC1(C(F)(F)F)c1ccccc1O2 MOL24799
-O=C1NP23(OCCO2)Oc2ccccc2C3(C(F)(F)F)O1 MOL24800
-CC1(C)OP23(NC(=O)OC2(C(F)(F)F)c2ccccc2O3)OC1(C)C MOL24801
-O=C1OC2(CC1C1(O)C3CC4CC(C3)CC1C4)C1CC3CC(C1)CC2C3 MOL24802
-CC1(C)OC(COP2OCCO2)C(COP2OCCO2)O1 MOL24803
-O=C1C(c2ccc([N+](=O)[O-])cc2)=C(Cl)C(=O)c2c(O)cccc21 MOL24804
-O=C1C(Cl)=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2c(O)cccc21 MOL24805
-COC(=O)C1=C(C)N2CCOC2(C)C(C(=O)OC)C1c1ccc[nH]1 MOL24806
-COC(=O)C1=C(C)N2CCOC2CC1c1ccccc1 MOL24807
-COC(=O)C1=C(C)N2CCSC2(C)C(C(=O)OC)C1c1cccc(Cl)c1 MOL24808
-COC(=O)C1=C(C)N2CCCOC2(C)C(C(=O)OC)C1c1cccc(Cl)c1 MOL24809
-CCOC(=O)C1=C(C)N2CCCOC2(C)C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 MOL24810
-COC1=NCc2ccccc2-c2ccccc21 MOL24811
-CN=c1ssc(=S)n1C(C)C MOL24812
-On1c(-c2ccccc2)c(-c2c(-c3ccccc3)n(O)c3ccccc23)c2ccccc21 MOL24813
-CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)O MOL24814
-CC(Oc1ccc(OCC2CCCCC2)cc1)C(N)=O MOL24815
-CNC(=O)C(C)Oc1ccc(OCC2CCCCC2)cc1 MOL24816
-CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)NCCO MOL24817
-CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)N(CCO)CCO MOL24818
-CC(O)CNC(=O)C(C)Oc1ccc(OCC2CCCCC2)cc1 MOL24819
-COc1ccc(NC(=O)C(C)Oc2ccc(OCC3CCCCC3)cc2)cc1 MOL24820
-CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)NCc1ccco1 MOL24821
-CC(Oc1ccc(OCC2CCCCC2)cc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 MOL24822
-COc1nc(OC)nc(Sc2ccc(Sc3ccc(Sc4nc(OC)nc(OC)n4)cc3)cc2)n1 MOL24823
-CC1C2CC3(C(C)C(=O)CC3(O)C13COC3=O)C(O)C(=O)O2 MOL24824
-CC1CC(O)C2(O)C13CC(OC(=O)C3O)C(C)(O)C21COC1=O MOL24825
-CC(=O)[O-].Clc1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc(Cl)ccc4[OH+][Mn+3]13[OH+]2 MOL24826
-CC(=O)[O-].O=[N+]([O-])c1ccc2c(c1)C=[N+]1CC[N+]3=Cc4cc([N+](=O)[O-])ccc4[OH+][Mn+3]13[OH+]2 MOL24827
-C1=[N+]2CCNCC[N+]3=Cc4ccccc4[OH+][Mn+3]23[OH+]c2ccccc21.CC(=O)[O-] MOL24828
-CC=Cc1cc(=O)c(C2OC(=O)c3cc(OC)cc(OC)c32)co1 MOL24829
-CCOP(=O)(OCC)C(C#N)=Cc1cc(O)ccc1O MOL24830
-CCCCOP(=O)(OCCCC)C(C#N)=Cc1ccco1 MOL24831
-CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2ccccc2)n1 MOL24832
-CN(C)c1nc(N(C)C)nc(N(C)CN(C)c2ccc(Cl)cc2)n1 MOL24833
-O=S(=O)(O)c1cc(N=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Cc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL24834
-C[N+](C)(C)C.O=S(O)(=[OH+])c1cc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O[Zn]Cl)cc1S(=O)(O)=[OH+] MOL24835
-CC1CCCC=CC2CC(OC(=O)CN(C)C)CC2C(O)C=CC(=O)O1 MOL24836
-CCCCC(N)CSSCC(N)CCCC.Cl MOL24837
-Cl.NC(CSSCC(N)Cc1ccccc1)Cc1ccccc1 MOL24838
-CSc1nc(C)c(Br)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24839
-COc1ccc(-c2nc(SC)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1 MOL24840
-CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24841
-CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24842
-CSc1nc(C)cc(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24843
-CSc1nc(C)c(Br)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24844
-CCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24845
-CCCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24846
-CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24847
-CC(=O)OCC1OC(OC2C(COC(C)=O)OC(Sc3ccccc3C)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL24848
-O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 MOL24849
-O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 MOL24850
-O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12 MOL24851
-O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 MOL24852
-O=C1c2c(O)cc(O)c(OC3OC(CO)C(O)C(O)C3O)c2OC(c2ccc(O)c(O)c2)C1O MOL24853
-O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 MOL24854
-CCN1CCC(O)(C=Cc2ccc(Cl)cc2)C(C(=O)C=Cc2ccc(Cl)cc2)C1.Cl MOL24855
-NC(=S)NN=C1CCCc2ccccc21 MOL24856
-C[N+](C)(C)CC1CCc2ccccc2C1=O.[I-] MOL24857
-CCC(C=Cc1ccccc1)=NN=C(C=Cc1ccccc1)CC MOL24858
-CC(C=Cc1ccccc1)=NN=C(C)C=Cc1ccccc1 MOL24859
-CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Br)cc1.Cl.[NaH] MOL24860
-Cl.O=C1CCCCC1CN1CCCC1 MOL24861
-CCN(CC)CC1CCCCCCCCCCC1=O.Cl MOL24862
-Cl.O=C1CCCCCCCCCCC1CN1CCCCC1 MOL24863
-CN(C)CC1CCc2ccccc2C1=O.Cl MOL24864
-NC(=O)NN=C1CCCc2ccccc21 MOL24865
-NC(=O)NN=C1CCc2ccccc2C1 MOL24866
-OCC1CC(F)C(n2cnc3c(F)ncnc32)O1 MOL24867
-O=[N+]([O-])c1ncnc2c1ncn2C1OC(CO)CC1F MOL24868
-CCOc1ncnc2c1ncn2C1OC(CO)CC1F MOL24869
-Cl.NNc1ncnc2c1ncn2C1OC(CO)CC1F MOL24870
-COC1CCC(OS(C)(=O)=O)CO1 MOL24871
-COC1CCC(CO)OO1 MOL24872
-O=C(OCc1ccccc1)N1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1 MOL24873
-OC1CCNCC1CNC12CC3CC(CC(C3)C1)C2 MOL24874
-OCCOCn1nc(-c2ccccc2)nc1-c1cnccn1 MOL24875
-COc1ccc(-c2nc(-c3cnccn3)n(COCCO)n2)cc1 MOL24876
-COc1cccc(-c2nc(-c3cnccn3)n(COCCO)n2)c1 MOL24877
-Cc1cccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)c1 MOL24878
-COc1ccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)cc1 MOL24879
-COc1cccc(-c2nc(-c3cnccn3)n(Cc3ccccc3)n2)c1 MOL24880
-C(=Cc1ccccc1)Cn1nc(-c2ccccc2)nc1-c1cnccn1 MOL24881
-COc1ccc(-c2nc(-c3cnccn3)n(CC=Cc3ccccc3)n2)cc1 MOL24882
-COc1cccc(-c2nc(-c3cnccn3)n(CC=Cc3ccccc3)n2)c1 MOL24883
-OCC1OC(n2nc(-c3ccccc3)nc2-c2cnccn2)C(O)C(O)C1O MOL24884
-Cc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)cc1 MOL24885
-COc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)cc1 MOL24886
-COc1cccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)c1 MOL24887
-OCC1OC(n2nc(-c3ccccc3)nc2-c2cnccn2)C(O)C1O MOL24888
-COc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C3O)n2)cc1 MOL24889
-COc1cccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C3O)n2)c1 MOL24890
-Cc1cccc2c1Oc1ncccc1C2NC(=O)CN(C)C MOL24891
-Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCN(CCO)CC1 MOL24892
-Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCOCC1.Cl MOL24893
-CCN(CC)CCC(=O)NC1c2ccc(Cl)cc2Oc2c(C)cccc21 MOL24894
-Cc1cccc2c1Oc1cc(Cl)ccc1C2NC(=O)CCN1CCCCC1 MOL24895
-CCOc1ncn(-c2ccc(NC(=S)Nc3cnccn3)cc2)n1 MOL24896
-CCOc1ncn(-c2ccc(NC(=S)Nc3ncccn3)cc2)n1 MOL24897
-CCOc1ncn(-c2ccc(NC(=S)Nc3cccc(O)c3)cc2)n1 MOL24898
-CCOc1ncn(-c2ccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)n1 MOL24899
-CCOc1ncn(-c2ccc(NC(=S)NC3OC(CO)C(O)C(O)C3O)cc2)n1 MOL24900
-CC(=O)NC1CC(C(C)(C)NC(C)=O)CC=C1C MOL24901
-CCNC1CC(C(C)(C)NCC)CC=C1C MOL24902
-CC1CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C MOL24903
-CC(=O)NC(C)(C)C1CCC(C)=C(c2ccccc2)C1 MOL24904
-CC(=O)NC(C)(C)C1CC=C(C)C(=NO)C1 MOL24905
-CC1=CCC(C(C)(C)NC(=O)c2ccccc2)CC1=NO MOL24906
-CC1(C)C2CCC1(C)C(NC(=O)CCN1CCOCC1)C2 MOL24907
-CC1(C)C2CCC1(C)C(NC(=O)COCCOCC(N)=O)C2 MOL24908
-CC1C2CC(CC2=O)C1(C)C MOL24909
-CC1C2CC(CC2(C)O)C1(C)C MOL24910
-CC1C2CC(CC2O)C1(C)C MOL24911
-CC1(C)CC2(C)CC1CC2(O)c1ccccc1 MOL24912
-CC1C2CC(CC2=NO)C1(C)C MOL24913
-CC1C2CC(CC2N)C1(C)C MOL24914
-CC1C2CC(CC(=O)N2)C1(C)C MOL24915
-CC12CC(CC1=NO)C(C)(C)C2 MOL24916
-CC1(C)CC2(C)CC1CC2NC(=O)CCN1CCOCC1 MOL24917
-CC1C2CC(C(C3C(=O)C4CC3C(C)(C)C4C)C2=O)C1(C)C MOL24918
-CC(=O)NC1(NC(C)=O)C2CC(C1Cc1ccccc1)C(C)(C)C2C MOL24919
-CC(=O)NC1(C)C(C)C2CC1C(C)C2(C)C MOL24920
-CC1C2CC(C(S(=O)(=O)O)C2=O)C1(C)C.N MOL24921
-CC1(O)C(=NO)CC2CC1C2(C)C MOL24922
-CC1CC(=O)NC2CC1C2(C)C MOL24923
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)C13.[NaH] MOL24924
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(Cc4ccc(N5C(=O)C6C7CC8C9(C)CCCC(C)(C(=O)O)C9CCC8(C=C7C(C)C)C6C5=O)cc4)cc2)C(=O)C13.[NaH] MOL24925
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccc(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)cc2)C(=O)C13.[NaH] MOL24926
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccccc2N2C(=O)C4C5CC6C7(C)CCCC(C)(C(=O)O)C7CCC6(C=C5C(C)C)C4C2=O)C(=O)C13.[NaH] MOL24927
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2cccc(N4C(=O)C5C6CC7C8(C)CCCC(C)(C(=O)O)C8CCC7(C=C6C(C)C)C5C4=O)c2)C(=O)C13.[NaH] MOL24928
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(CCCCCCN2C(=O)C4C5CC6C7(C)CCCC(C)(C(=O)O)C7CCC6(C=C5C(C)C)C4C2=O)C(=O)C13.[NaH] MOL24929
-CCOC(=O)c1c(SCCN2CCCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL24930
-CCOC(=O)c1c(SCCN2CCOCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL24931
-CCOC(=O)c1c(SCCCN2CCCCC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL24932
-CCOC(=O)c1c(N)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O MOL24933
-CCOC(=O)c1c(N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL24934
-CCOC(=O)c1c(NCc2ccccc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL24935
-N#Cc1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL24936
-CCOC(=O)c1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL24937
-CC(=O)c1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL24938
-CN1CCN(C(=S)N(C)C(=O)c2ccc(Cl)cc2)CC1 MOL24939
-CN1CCN(C(=S)N(C)C(=O)c2cccs2)CC1 MOL24940
-CN1CCN(C(=S)N(C)C(=O)c2ccco2)CC1 MOL24941
-CN1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)C2CCCCC2)CC1 MOL24942
-CN1CCN(C(=S)N(C(=O)c2cccs2)C2CCCCC2)CC1 MOL24943
-CN1CCN(C(=S)N(C(=O)c2ccco2)C2CCCCC2)CC1 MOL24944
-CN1CCN(C(=S)N(C(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 MOL24945
-CN1CCN(C(=S)N(C(=O)c2cccs2)c2ccccc2)CC1 MOL24946
-CN1CCN(C(=S)N(C(=O)c2ccco2)c2ccccc2)CC1 MOL24947
-CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccc2)CC1 MOL24948
-CN(C(=O)c1cccs1)C(=S)N1CCN(c2ccccc2)CC1 MOL24949
-CN(C(=O)c1ccco1)C(=S)N1CCN(c2ccccc2)CC1 MOL24950
-O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 MOL24951
-O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 MOL24952
-O=C(c1ccco1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 MOL24953
-O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 MOL24954
-O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 MOL24955
-O=C(c1ccco1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 MOL24956
-CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2ccccn2)CC1 MOL24957
-CN(C(=O)c1cccs1)C(=S)N1CCN(c2ccccn2)CC1 MOL24958
-CN(C(=O)c1ccco1)C(=S)N1CCN(c2ccccn2)CC1 MOL24959
-O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1 MOL24960
-O=C(c1cccs1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1 MOL24961
-O=C(c1ccco1)N(C(=S)N1CCN(c2ccccn2)CC1)C1CCCCC1 MOL24962
-O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1 MOL24963
-O=C(c1cccs1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1 MOL24964
-O=C(c1ccco1)N(C(=S)N1CCN(c2ccccn2)CC1)c1ccccc1 MOL24965
-CN(C)CCSC(=Nc1ccccc1)n1cccc1 MOL24966
-CN(C)CCSC(=Nc1ccccc1)N1CCCCC1 MOL24967
-CN(C)CCSC(=Nc1ccccc1)N1C=COC=C1 MOL24968
-CC(C)C1=CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CC1C1C(=O)N(c2ccccc2)C(=O)C13.[NaH] MOL24969
-CCC1CCc2c(c(=O)oc3c2cc(OC)c2cccc(OC)c23)C1 MOL24970
-Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCC(=O)NCCCn1ccnc1[N+](=O)[O-] MOL24971
-C[S+](C)C1(c2ccccc2)C(=O)c2ccccc2C1=O.O=S(O)(=[OH+])C(F)(F)F MOL24972
-C[s+]1c2ccccc2c2ccccc21.O=S(O)(=[OH+])C(F)(F)F MOL24973
-CC(C)(C)S(=O)OC12CC3CC(CC(C3)C1)C2 MOL24974
-COC(=O)c1onc(C2OC(C)(C)OC2C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(=O)OC MOL24975
-C=CCNC(=S)N1c2ccccc2NC(=O)CC1C MOL24976
-C=CCNC(=S)N1CC(C)C(=O)Nc2ccccc21 MOL24977
-C=CCNC(=S)N1CC(C)C(=O)Nc2cc(Cl)ccc21 MOL24978
-O=C1NC2(C=Cc3c(ccc4ccccc34)O2)Oc2ccccc21 MOL24979
-COC(=O)C1(C)CCC2(C)CCC3(C)C4CCC56COC(O)(CCC5C4(C)CCC3(C)C2C1)C6C MOL24980
-COC(=O)C1(C)CCC2(C)CCC3(C)C4CCC5(COC(C)=O)C(C)C(=O)CCC5C4(C)CCC3(C)C2C1 MOL24981
-CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1.[NaH] MOL24982
-CC1(C)OCC(C2CC23SCCCS3)O1 MOL24983
-COC(=O)c1c(C(=O)OC)c2cc(C(=O)c3ccccc3)ccn2c1Cl MOL24984
-O=C1CC2(CC3CCCCCCCCCC(C3)C2)N1 MOL24985
-CC=C(C)C(=O)OC1C(O)CC(c2ccc3c(c2O)C(=O)C2=C(O)C4(OC)C(=O)C(C(N)=O)=C(O)C(CC(=O)c5ccccc5O)C4CC2C3(C)OC)OC1C MOL24986
-COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1 MOL24987
-Nc1ccc2nc(NCc3ccc(F)cc3)cnc2c1 MOL24988
-C#CCN(Cc1ccc2nc(-c3ccccc3)c(N)nc2c1)c1cc(OC)c(OC)c(OC)c1 MOL24989
-c1ccc(N2N=C(c3ccco3)CC2c2ccco2)cc1 MOL24990
-Cc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)o1 MOL24991
-OCc1ccc(C2CC(c3ccco3)=NN2c2ccccc2)o1 MOL24992
-Nc1nc(-c2ccco2)cc(-c2ccco2)n1 MOL24993
-Cc1ccc(-c2cc(-c3ccco3)nc(N)n2)o1 MOL24994
-Nc1nc(-c2ccco2)cc(-c2ccc(CO)o2)n1 MOL24995
-Nc1ncnc2c1ncn2CC1COC(CO)O1 MOL24996
-Nc1ncnc2c1ncn2CC1COC(CO)O1 MOL24997
-Cc1cn(CC2COC(CO)O2)c(=O)[nH]c1=O MOL24998
-Cc1cn(CC2COC(CO)O2)c(=O)[nH]c1=O MOL24999
-Nc1nc(O)c2ncn(CC3COC(CO)O3)c2n1 MOL25000
-Nc1ncnc2c1ncn2CC1OC(CO)C(CO)O1 MOL25001
-Nc1nc(O)c2ncn(CC3OC(CO)C(CO)O3)c2n1 MOL25002
-Cc1cn(CC2OC(CO)C(CO)O2)c(=O)[nH]c1=O MOL25003
-c1ccc(C2=NN3CN(N2)c2ccccc2OCCCOc2ccccc23)cc1 MOL25004
-CCCN1CCC(=O)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=S MOL25005
-O=C1CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=S)N1CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MOL25006
-O=C1CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=S)N1 MOL25007
-Cc1cn(C2CC(O)C(COC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2)c(=O)[nH]c1=O MOL25008
-COc1ccc(C2CC(=O)N2)cc1 MOL25009
-COc1ccc(C2CC(=O)NCCCCN2)cc1 MOL25010
-COc1ccc(C2CC(=O)N3CCCC3N2)cc1 MOL25011
-COc1ccc(C2CC(=O)NCCCCNCCCN2)cc1 MOL25012
-COc1ccc(C2CC(=O)NCCCNCCCCNCCCN2)cc1 MOL25013
-CCN(CC)Cc1cc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc(CN(CC)CC)c1O.Cl MOL25014
-CCN(CC)Cc1cc(Nc2c3ccccc3nc3c4ccccc4n(C)c23)cc(CN(CC)CC)c1O.Cl MOL25015
-CCCCCCCCCCCCC(N=[N+]=[N-])C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O MOL25016
-Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCCN=[N+]=[NH2+])O2)c(=O)[nH]c1=O MOL25017
-Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O MOL25018
-Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCBr)O2)c(=O)[nH]c1=O MOL25019
-O=C1CC2(CCC3=C(O2)c2ccccc2NC(=O)C3)C(=O)c2ccccc2N1 MOL25020
-O=C1CC2C(c3ccccc3)C3C(=O)c4ccccc4NC(=O)C3C2(O)c2ccccc2N1 MOL25021
-COC(=O)C1=C(C)C(=O)C2(CCCCCC2C(=O)OC)C1 MOL25022
-COC(=O)C1CCCCCC2C(CO)=C(C)C(=O)C12 MOL25023
-COC(=O)C1=C(C)C(=O)C2C(C(=O)OC)CCCCC12 MOL25024
-CCC1=C(C(C)=O)C2CCCCCC(C(=O)OC)C2C1=O MOL25025
-COC(=O)C1CCCC2C(CO)=C(C)C(=O)C12 MOL25026
-CCC1=C(C(C)=O)C2CCCCC(C(=O)OC)C2C1=O MOL25027
-CCN1CC2(C)CCC(O)C34C5CC6CCC(O)(C(CC23)C14)C5C6O MOL25028
-CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)c2ccccc2)C(c2ccccc2)C1c1ccccc1)C(O)c1ccccc1 MOL25029
-CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)c2ccccc2)C2CCCCC21)C(O)c1ccccc1 MOL25030
-CC(C(=O)N1C(=O)N(C(=O)C(C)C(O)c2ccccc2)C(c2ccccc2)C1c1ccccc1)C(O)c1ccccc1 MOL25031
-O=C1CCC(=O)N1Cc1ccccc1N=[N+]([O-])c1ccccc1CN1C(=O)CCC1=O MOL25032
-CCN(CC)C(=O)C(C)n1cc(C)c(=O)[nH]c1=O MOL25033
-CCN(CC)C(=O)CCn1ccc(=O)[nH]c1=O MOL25034
-CCN(CC)C(=O)CCn1cc(F)c(=O)[nH]c1=O MOL25035
-CN(CCN(C)C(=O)CCn1ccc(=O)[nH]c1=O)C(=O)CCn1ccc(=O)[nH]c1=O MOL25036
-CN(CCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O)C(=O)CCn1cc(F)c(=O)[nH]c1=O MOL25037
-BrC1=CCC23CC=C(Br)C4CC2(COC3)CC1O4 MOL25038
-CSc1sc(=S)sc1C(=O)N(C)c1ccccc1 MOL25039
-CCOC(=O)c1ncn2c1[nH]c(=O)c1ccccc12 MOL25040
-Cc1ccc(S(=O)(=O)OC(c2ccc(Cl)cc2Cl)C2OC(=O)c3ccccc32)cc1 MOL25041
-Sc1ncc2c(n1)C1c3ccccc3C2c2ccccc21 MOL25042
-COC(=O)C12CSCN1C(=O)C(C(C)=O)=NN2C(=O)C(OC)(c1ccccc1)C(F)(F)F MOL25043
-CCCCCCCCCCCCCCCCOCC(COP(O)(=[OH+])OCC[n+]1ccc(N(C)C)cc1)OCC MOL25044
-CC(=O)Nc1cc2c(s1)CCC1CC(=O)NN=C21 MOL25045
-COc1ccccc1CNCCCCCNCCCCCCCCCCNCCCCCNCc1ccccc1OC.Cl MOL25046
-CCCN(CCC)C1=Nc2ccccc2-n2cnnc2C1 MOL25047
-Cn1c(=O)c2c(ncn2CCCCn2ccnc2[N+](=O)[O-])n(C)c1=O MOL25048
-Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL25049
-O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] MOL25050
-Cc1cn(C2CN(O)CC(CO)O2)c(=O)[nH]c1=O MOL25051
-CC(=O)OCC1CN(OC(C)=O)CC(n2cc(C)c(=O)[nH]c2=O)O1 MOL25052
-Cc1cn(C(CO)OC(CO)CN(O)C2C3CC4CC(C3)CC2C4)c(=O)[nH]c1=O MOL25053
-Cc1cn(C2CC(N(O)Cc3ccccc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL25054
-Cc1cn(C2CC(N(O)Cc3ccccc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL25055
-O=c1ccn(C2OC3COC(c4c(F)cccc4Cl)N(O)C3C2O)c(=O)[nH]1 MOL25056
-CC(=O)OC1C2C(COC(c3c(F)cccc3Cl)N2OC(C)=O)OC1n1ccc(=O)[nH]c1=O MOL25057
-COC1C2OC(C)(C)OC2OC1C1OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2N1O MOL25058
-CC1(C)OC2OC(C3OCC4OC(n5ccc(=O)[nH]c5=O)C(O)C4N3O)C3OC(C)(C)OC3C2O1 MOL25059
-OCC1C(O)C2OC3(CCCC3)OC2CN1OCC=Cc1ccccc1 MOL25060
-CC1=NC(C)(C2CC3C=CC2C3=O)COC1=O MOL25061
-CC1=NC(C)(C2CC3C=CC2C3=O)COC1=O MOL25062
-COC1(OC)C2C=CC1C(C(C)(N)CO)C2 MOL25063
-COc1ccc(C2SC(C)C(=O)N2c2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cs2)cc1 MOL25064
-CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 MOL25065
-CCCOc1ccc2[nH]cc(C(COC)c3c[nH]c4ccc(OCCC)cc34)c2c1 MOL25066
-Cn1c2c(c3ccccc31)CC1c3c(c4ccccc4n3C)CC21 MOL25067
-COC(=O)C12CN(C)C(C(C)(C)C)N1C(=O)OC2c1ccccc1 MOL25068
-COc1ccc2cc(C(C)C(=O)N3CCOC3=O)ccc2c1 MOL25069
-CC(NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 MOL25070
-COc1ccc2cc(C(C)C(=O)N3C(=O)OCC3(C)C)ccc2c1 MOL25071
-CC1C(c2ccccc2)[OH+][B-]([FH+])(c2ccccc2)N1C MOL25072
-CCCCN=C(OC1C=CCCC1)SC MOL25073
-C=CC1CCC[N+]1(CC(=O)OCC)Cc1ccccc1.[Br-] MOL25074
-CCCCC(O)(c1ccccc1)C(O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F MOL25075
-COc1ccc2cc(C(C)C(O)c3cc(F)c(F)c(F)c3F)ccc2c1 MOL25076
-C=C=C(C)C(=O)N(C(C)C)C(C)C MOL25077
-CN(C)C=NC(C(=O)O)c1ccccc1.[NaH] MOL25078
-O=C(O)C1SCCS1 MOL25079
-Nn1nnc2ccccc21 MOL25080
-CN(C)CCN(C)P12(Oc3ccccc3O1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2 MOL25081
-CCCCCCCCCCCCCC(=O)OCC(CCS(=O)(=O)OC1CCC2(C)C(=CCC3C4CCC(=O)C4(C)CCC32)C1)OC(=O)CCCCCCCCCCCCC MOL25082
-N=C(N)C1CN(CCc2c[nH]c3ccccc23)C(=O)NC1=O MOL25083
-N=C(N)C1CN(CC=O)C(=O)NC1=O MOL25084
-Oc1nnc(O)c2c1ccc1oc3ccccc3c12 MOL25085
-Cc1c(C2CCSc3ccccc3N2)sc2ccccc12 MOL25086
-Cc1ccc(S(=O)(=O)c2scc(-c3ccccc3)c2C)cc1 MOL25087
-O=NN1C(c2ccccc2)CC(=NO)CC1c1ccccc1 MOL25088
-CC1C(=NO)CC(c2ccccc2)N(N=O)C1c1ccccc1 MOL25089
-CC(C)C1C(=NO)CC(c2ccccc2)N(N=O)C1c1ccccc1 MOL25090
-CC1C(=NO)C(C)C(c2ccccc2)N(N=O)C1c1ccccc1 MOL25091
-COC(OC)C1(c2ccccc2)Oc2ccccc2C1=O MOL25092
-CCOc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC MOL25093
-O=C1C(=Cc2ccc(O)cc2)Oc2ccccc21 MOL25094
-O=C1C(=Cc2ccc(Cl)cc2)Oc2ccccc21 MOL25095
-COC(=O)c1ccc(C=C2Oc3ccccc3C2=O)cc1 MOL25096
-CN(C)c1ccc(C=C2Oc3ccccc3C2=O)cc1 MOL25097
-O=C1C(=Cc2ccccc2)Oc2cc(O)ccc21 MOL25098
-O=C1C(=Cc2ccc(Cl)cc2)Oc2cc(O)ccc21 MOL25099
-COC(=O)c1ccc(C=C2Oc3cc(O)ccc3C2=O)cc1 MOL25100
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc21 MOL25101
-CN(C)c1ccc(C=C2Oc3cc(O)ccc3C2=O)cc1 MOL25102
-CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(O)cc1)C2=O MOL25103
-COc1ccc(C=C2Oc3cc(OC(C)=O)ccc3C2=O)cc1 MOL25104
-CC(=O)Oc1ccc2c(c1)OC(=Cc1ccc(N(C)C)cc1)C2=O MOL25105
-COc1ccc(N2C(=O)CC(C3CC(C(C)(C)C)CCC3=O)C2=O)cc1 MOL25106
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c(C)c1 MOL25107
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL25108
-COCCN1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O MOL25109
-COCCCN1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O MOL25110
-COc1ccc(N2C(=O)C3c4[nH]c5cc(Cl)ccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL25111
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(Cl)cc4)C(=O)C3C2C1 MOL25112
-CCC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(OC)cc4)C(=O)C3C2C1 MOL25113
-COc1ccc(N2C(=O)C3c4[nH]c5ccc([N+](=O)[O-])cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL25114
-COc1ccc(N2C(=O)c3c4c(c5c([nH]c6ncccc65)c3C2=O)CCC(C(C)(C)C)C4)cc1 MOL25115
-COc1ccc(N2C(=O)CC(c3c[nH]c4ncccc34)C2=O)cc1.Cl MOL25116
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3ccccc3)c21 MOL25117
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c21 MOL25118
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c21 MOL25119
-Cn1c2ccccc2c2ccc3c(c21)C(=O)c1ccc2c4ccccc4n(C)c2c1C3=O MOL25120
-Cn1c2cc(Cl)ccc2c2ccc3c(c21)C(=O)C=CC3=O MOL25121
-O=C(O)c1ccc(-c2nc3cccc4cccc([nH]2)c43)cc1 MOL25122
-CC1(C)OCC(C2OC(N3OC(CI)CC3c3ccccc3)C3OC(C)(C)OC23)O1 MOL25123
-CCCCCCCC1c2cc3nc(cc3C)cc3[nH]c(cc4nc(cc([nH]2)C1(C)CC(=O)N(C)C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C MOL25124
-CC1CC2C(=O)OCC(NC(=O)C(Cc3ccccc3)NC(=O)C=CC=CC=CC=CC=CC(=O)NC3=C(O)CCC3=O)C(=O)N3CCCC3C(=O)N(C)C(C)C(=O)NC(C)C(=O)N2C1 MOL25125
-CC1NC(=O)C(C)N(C)C(=O)C2CCCN2C(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C=CC=CC=CC=CC=CC(=O)NC2=C(O)CCC2=O)COC(=O)C2CCCN2C1=O MOL25126
-CC(=O)N1C=Cc2c(c(C)c3c([nH]c4ccccc43)c2C)C1 MOL25127
-CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL25128
-CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL25129
-CCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL25130
-O=C1CN(c2ccccc2)C(=O)CN1CCN1CC(=O)N(c2ccccc2)CC1=O MOL25131
-O=C1CN(c2cccc(Cl)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(Cl)c2)CC1=O MOL25132
-O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1CCN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O MOL25133
-O=C1CN(c2ccc(Cl)cc2)C(=O)CN1CCN1CC(=O)N(c2ccc(Cl)cc2)CC1=O MOL25134
-O=C1CN(c2ccccc2)C(=O)CN1NCNN1CC(=O)N(c2ccccc2)CC1=O MOL25135
-O=C1CN(c2cccc(Cl)c2)C(=O)CN1NCNN1CC(=O)N(c2cccc(Cl)c2)CC1=O MOL25136
-O=C1CN(c2cccc(C(F)(F)F)c2)C(=O)CN1NCNN1CC(=O)N(c2cccc(C(F)(F)F)c2)CC1=O MOL25137
-O=C1CN(c2ccc(Cl)cc2)C(=O)CN1NCNN1CC(=O)N(c2ccc(Cl)cc2)CC1=O MOL25138
-CC(=O)OC1=NN=C2COC(c3ccccc3OC(C)=O)=NN2C1 MOL25139
-C=CCC12C=C(OC)C(O)C(OC)(C(c3cc(OC)c4c(c3)OCO4)C1C)C2OC(C)=O MOL25140
-COc1ccc(Cc2nnc(Nc3ccc(Br)cc3)nc2O)cc1OC MOL25141
-Oc1nc(S)nc2nc3c4cccnc4c4ccccc4c3nc12 MOL25142
-Nc1nc(O)c2ncn(C3COC(CO)O3)c2n1 MOL25143
-COC(=O)CCC(C)C1CCC2(C)c3ccc4c(c3C(=O)CC12C)CCC(OC(C)=O)C4(C)C MOL25144
-CC(=O)OC1CCc2c(cc(N)c3c2C(=O)CC2(C)C(C(C)CCCC(C)C)CCC32C)C1(C)C MOL25145
-CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CC=C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CCC12 MOL25146
-COc1ccc(C(=CCC(C)C2CCC3C4C(OC(C)=O)CC5CC(OC(C)=O)CCC5(C)C4CC(OC(C)=O)C23C)c2ccc(OC)cc2)cc1 MOL25147
-CCN(CC)CCC(=O)c1ccc(C)cc1.Cl MOL25148
-CCN1CCC(O)(C=Cc2ccc(C)cc2)C(C(=O)C=Cc2ccc(C)cc2)C1.Cl MOL25149
-CCN(CC)CCC(=O)c1ccc(Cl)c(Cl)c1.Cl MOL25150
-NC(=S)NN=C1CCc2ccccc2C1 MOL25151
-CCN1CCC(O)(C=Cc2ccc(Cl)c(Cl)c2)C(C(=O)C=Cc2ccc(Cl)c(Cl)c2)C1.Cl MOL25152
-CCN1CCC(O)(C=Cc2ccc(OC)cc2)C(C(=O)C=Cc2ccc(OC)cc2)C1.Cl MOL25153
-CC[N+]1(C)CCC(O)(c2ccc(Cl)cc2)C(C(=O)c2ccc(Cl)cc2)C1.[Br-] MOL25154
-CCN1CCC(O)(c2ccc(O)cc2)C(C(=O)c2ccc(O)cc2)C1.Cl MOL25155
-Cl.O=C1CCCCCCCCCCC1CN(Cc1ccccc1)Cc1ccccc1 MOL25156
-Cl.O=C1CCCCCCCCCCC1CN1CCOCC1 MOL25157
-Cl.O=C1CCCCC1CN(Cc1ccccc1)Cc1ccccc1 MOL25158
-Cl.O=C1CCCCC1CN1CCOCC1 MOL25159
-COc1cc2c(cc1O)C1(Cc3ccc4c(c3C1=O)OCO4)N(C)CC2 MOL25160
-CC(=O)OCC1OC(c2c(OC(C)=O)cc(C)c3c(=O)cc(C(C(C)=O)=C(C)O)oc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL25161
-N=C(N)C1CN(CCc2c[nH]cn2)C(=O)NC1=O MOL25162
-c1ccc2c(c1)NC(C1OC3CCCN3C1C1Nc3ccccc3S1)S2 MOL25163
-COc1ccc2c(c1O)-c1c(O)cccc1CCN(C)CC2 MOL25164
-CC=C1CN2CCC34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)CC8(CC)CCCN9CCC67C98)=CC5=NC23CCC1C4C(=O)OC MOL25165
-CC(=O)CC1CCC(=O)C=CC(=O)OC(CC(C)=O)CCC(=O)C=CC(=O)O1 MOL25166
-CC(=O)CC1CCC(=O)CCC(=O)OC(CC(C)=O)CCC(=O)CCC(=O)O1 MOL25167
-CC(=O)C=CCCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O)CC(C)=O MOL25168
-COc1ccc2c(c1OC)C(=O)NC2=Cc1c(CCN(C)C)cc2c(c1OC)OCO2 MOL25169
-COc1ccc2c(c1OC)C(=O)N1C2=Cc2c(cc3c(c2OC)OCO3)CC1N(C)C MOL25170
-CC1CCCCCC2CC(=O)CC2C(=O)CCC(=O)O1 MOL25171
-COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)cc(O)c(C=O)c1O2 MOL25172
-Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1 MOL25173
-O=C(Cc1ccccc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25174
-Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N)cc1 MOL25175
-Nc1ccc(C(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL25176
-Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccn1 MOL25177
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccn1 MOL25178
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(Cl)cc1 MOL25179
-Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1[N+](=O)[O-] MOL25180
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1cccc([N+](=O)[O-])c1 MOL25181
-Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1O MOL25182
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1O MOL25183
-Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(CS)cc1 MOL25184
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(CS)cc1 MOL25185
-Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1 MOL25186
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 MOL25187
-O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc(O)cc1 MOL25188
-O=C(CNc1ccccc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25189
-O=C(CNc1cccc(Cl)c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25190
-O=C(CNc1ccc(Cl)cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25191
-O=C(CNc1ccccc1[N+](=O)[O-])Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25192
-O=C(CNc1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25193
-O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25194
-COc1cccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 MOL25195
-COc1ccc(NCC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL25196
-O=C(CNc1ccc(Cl)cc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O MOL25197
-O=C1C(=Cc2ccccc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25198
-CC1=NC(=Cc2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25199
-O=C1C(=Cc2ccccc2O)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25200
-CC1=NC(=Cc2ccc(O)cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25201
-O=C1C(=Cc2ccc(O)cc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25202
-CC1=NC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25203
-CC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25204
-COc1cc(C=C2N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)cc(OC)c1OC MOL25205
-COc1cc(C=C2N=C(c3ccccc3)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)cc(OC)c1OC MOL25206
-CC1=NC(=Cc2cccc(Cl)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25207
-O=C1C(=Cc2cccc(Cl)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25208
-COc1cccc(C=C2N=C(C)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1 MOL25209
-COc1cccc(C=C2N=C(c3ccccc3)N(n3c(-c4ccccc4)nc4ccccc4c3=O)C2=O)c1 MOL25210
-O=C1C(=Cc2cccc(O)c2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25211
-O=C1C(=Cc2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25212
-CC1=NC(=Cc2cc(Br)cc(Br)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O MOL25213
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1)SC(=N)N2 MOL25214
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1O)SC(=N)N2 MOL25215
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc1 MOL25216
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2 MOL25217
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2 MOL25218
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(O)cc1)SC(=N)N2 MOL25219
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2 MOL25220
-COc1cccc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)c1 MOL25221
-COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc(OC)c1OC MOL25222
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(N(C)C)cc1)SC(=N)N2 MOL25223
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(O)cc1O)SC(=N)N2 MOL25224
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc(C=Cc3ccccc3)cc1)SC(=N)N2 MOL25225
-Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2 MOL25226
-COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)ccc1O MOL25227
-CC1(C)CC(=O)C(=CNC(=S)c2ccccc2)C(=O)C1 MOL25228
-CC(=O)NC1=NC(=O)C(=Cc2ccccc2Cl)N1C MOL25229
-CC(=O)C1C(=O)C(=O)N(c2ccccc2)C1=O.[NaH] MOL25230
-CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.[NaH] MOL25231
-COc1ccc(OC)c(C=C2C(=O)N=C(NC(C)=O)N2C)c1 MOL25232
-CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1=O.[NaH] MOL25233
-CC(=O)C1C(=O)C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O.[NaH] MOL25234
-CC1(C)CC(=O)C(=CNC(N)=S)C(=O)C1 MOL25235
-CC(=O)C1C(=O)C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O.[NaH] MOL25236
-CC(=O)NC1=NC(=O)C(=Cc2ccc(Cl)cc2Cl)N1C MOL25237
-Cc1ccc(S(=O)(=O)NN=CC=NNS(=O)(=O)c2ccc(C)cc2)cc1 MOL25238
-Cn1c(NN)nc2ccccc2c1=O MOL25239
-CC(=O)C1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O.[NaH] MOL25240
-CCOc1ccccc1C=C1NC(=O)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O MOL25241
-COc1cccc(C=C2Sc3scc(-c4ccccc4)[n+]3C2=O)c1O.[Cl-] MOL25242
-O=C1C(=Cc2ccc(Cl)cc2Cl)Sc2scc(-c3ccc(O)c(O)c3)[n+]21.[Cl-] MOL25243
-CC(=O)NNC(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL25244
-COc1cccc(CC2C(=O)N=C(NC(C)=O)N2C)c1OC(C)=O MOL25245
-CC1(C)CC(=O)C(=CNC(=O)c2ccncc2)C(=O)C1 MOL25246
-COc1ccccc1C=C1Sc2scc(CC(=O)Nc3ccccc3)[n+]2C1=O.[Br-] MOL25247
-Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)Oc2ccccc2C1=O MOL25248
-CC(=O)CCn1c(=S)sc2ccccc21 MOL25249
-CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc(Cl)c1Cl)S2.[Cl-] MOL25250
-CCOc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1 MOL25251
-O=C1C(=Cc2ccc(Cl)cc2Cl)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21.[Cl-] MOL25252
-COc1ccccc1C=C1Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]2C1=O.[Cl-] MOL25253
-CC1(C)CC(=O)C(=CN2C(=O)CNC2=S)C(=O)C1 MOL25254
-O=C1Oc2ccccc2C(=O)C1=CNC(=S)Nc1ccccc1 MOL25255
-CC1=CC(=O)C(=CNC(N)=S)C(=O)O1 MOL25256
-C=CCN(CC=C)Cn1c(=S)sc2ccccc21 MOL25257
-Cn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O MOL25258
-CC1=CC(=O)C(=CNC(=O)NN)C(=O)O1 MOL25259
-COc1ccc(C=C2SC(NNc3nc(-c4ccccc4)cs3)=NC2=O)cc1OC MOL25260
-COc1ccccc1C=C1NC(=S)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O MOL25261
-CC1=CC(=O)C(=Cn2c(=S)[nH]c3cc(C)ccc32)C(=O)O1 MOL25262
-O=C1Nc2ccccc2C1=NNc1nc(-c2ccc(Br)cc2)cs1 MOL25263
-COc1cc(C=C2SC(NNc3nc(-c4ccc(Br)cc4)cs3)=NC2=O)cc(OC)c1OC MOL25264
-CC1=CC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)O1 MOL25265
-CC1=CC(=O)C(=CNC(=S)c2ccncc2)C(=O)O1 MOL25266
-CCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL25267
-CCCCCCCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL25268
-COc1ccccc1C=C1SC(=S)NC1=O MOL25269
-CC(C)OP(=O)(OC(C)C)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL25270
-CC(C)OP(=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL25271
-O=P(O)(O)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL25272
-O=P(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL25273
-CCN(CC)P(=O)(c1ccc2c(c1)OCCOCCOCCOCCO2)N(CC)CC MOL25274
-NS(=O)(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL25275
-O=S(=O)(NC1CCCCC1)c1ccc2c(c1)OCCOCCOCCOCCO2 MOL25276
-Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCOCCOCCOCCO3)c1 MOL25277
-CCCCCCCCCCCCCCCCNc1ccc2c(c1)OCCOCCOCCOCCO2 MOL25278
-CCCCCCCCCCCCOCCCCCCCCCC=Cc1ccc2c(c1)OCCOCCOCCOCCO2 MOL25279
-CC(C)OP(=O)(CCCCCCCCCC=Cc1ccc2c(c1)OCCOCCOCCOCCO2)OC(C)C MOL25280
-COc1ccc2c(c1)OCC1c3ccc(OCc4ccccc4)cc3OC21 MOL25281
-COc1ccc2c(c1)OCC1c3cc(OC)c(OCc4ccccc4)cc3OC21 MOL25282
-C=C1CC(C#N)(C#N)C2C1CC1CCCC12.C=C1CC(C#N)(C#N)C2CC3CCCC3C12 MOL25283
-Oc1ccccc1C1[N+]2=Cc3ccccc3[OH+][Zr]23456([OH+]c2ccccc2C=[N+]13)[OH+]c1ccccc1C=[N+]4C(c1ccccc1O)[N+]5=Cc1ccccc1[OH+]6 MOL25284
-CC1(C)OCC(COCOP2(=O)Oc3ccc4ccccc4c3-c3c(ccc4ccccc34)O2)O1 MOL25285
-O=CC(=C(Br)I)c1ccccc1 MOL25286
-CC(=O)C(=C(Br)I)c1ccccc1 MOL25287
-O=C1CCCCC1=C(Br)I MOL25288
-COC(=O)C1(Cc2ccc3ccccc3c2)CCCCCCN1C(=O)c1ccccc1 MOL25289
-O=c1sc(Nc2ccc3ccccc3c2Cl)nc2ccccc12 MOL25290
-NC(Cc1ccc2nc3c4ccccc4c(=O)cc-3oc2c1)C(=O)O MOL25291
-Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)CC(C)(C)CC1=O MOL25292
-O=C1Nc2ccccc2C1=NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 MOL25293
-CCOC(=O)c1sc(NNC2=NC(=O)C(=Cc3ccc([N+](=O)[O-])cc3)S2)nc1C MOL25294
-Cc1cccc(C)c1NC(=S)NC=C1C(=O)c2ccccc2C1=O MOL25295
-CC(=O)C1C(=O)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.[NaH] MOL25296
-Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)S2.[BrH2+] MOL25297
-CC(=O)NNC(=S)NC=C1C(=O)C=C(C)OC1=O MOL25298
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2cccc(O)c2)C1=O MOL25299
-O=C1Oc2ccccc2C(=O)C1=CNC(=S)NCc1ccccc1 MOL25300
-Br.CC1(C)CC(=O)C(=CNc2nc(-c3ccc(Br)cc3)cs2)C(=O)C1 MOL25301
-CC1=CC(=O)C(=CN2C(=O)C(=Cc3cccnc3)NC2=S)C(=O)O1 MOL25302
-CC1=CC(=O)C(=CNC(=S)NCCc2ccccc2)C(=O)O1 MOL25303
-CC1=CC(=O)C(=Cn2c(=S)[nH]c3ccc([N+](=O)[O-])cc32)C(=O)O1 MOL25304
-Br.CC1(C)CC(=O)C(=CNc2nc(-c3ccccc3)cs2)C(=O)C1 MOL25305
-NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)Nc3ccccc3C2=O)cc1 MOL25306
-CC1=CC(=O)C(=CN2C(=O)CNC2=S)C(=O)O1 MOL25307
-O=C1Oc2ccccc2C(=O)C1=CNC(=S)c1ccncc1 MOL25308
-CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1cccc(OC)c1O)S2.[Cl-] MOL25309
-O=C1Nc2ccccc2C1=NNc1nc(-c2ccccc2)cs1 MOL25310
-CC1=CC(=O)C(=CNC(=S)C(N)=S)C(=O)O1 MOL25311
-O=C1Nc2ccccc2C1=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1 MOL25312
-Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1-c1ccccc1 MOL25313
-N#CCc1nc(O)c2ccccc2n1 MOL25314
-CCCCNC(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL25315
-Oc1ccc(-c2csc(NNC3=NCC(=Cc4ccc5c(c4)OCO5)S3)n2)cc1O MOL25316
-O=[N+]([O-])c1cccc(-c2csc(NNC3=NCC(=Cc4ccc5c(c4)OCO5)S3)n2)c1 MOL25317
-O=C1Nc2ccccc2C(=O)C1=CNC(=S)NC1CCCCC1 MOL25318
-CCCNC(=S)NC=C1C(=O)Nc2ccccc2C1=O MOL25319
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21.[ClH2+] MOL25320
-CC1=CC(=O)C(=CNC(=S)Nc2ccccc2)C(=O)O1 MOL25321
-CC1=CC(=O)C(=CN2CCNC2=S)C(=O)O1 MOL25322
-CC1=CC(=O)C(=CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C(=O)O1 MOL25323
-COc1cc(C=C2NC(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)ccc1O MOL25324
-CCCn1c(=O)c2ccccc2[n+]2c(-c3ccc([N+](=O)[O-])cc3)csc12.[Br-] MOL25325
-NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)Oc3ccccc3C2=O)cc1 MOL25326
-COc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1OC MOL25327
-CC(=S)NC=C1C(=O)C=C(C)OC1=O MOL25328
-CCOC(=O)Cc1csc(NN=C2C(=O)Nc3ccccc32)n1 MOL25329
-CC1(C)CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)C1.[Cl-] MOL25330
-CC1=CC(=O)C(=Cn2c(=S)[nH]c3ccccc32)C(=O)O1 MOL25331
-C=CCOCn1ccc(=O)[nH]c1=O MOL25332
-C=CCOCn1cc(F)c(=O)[nH]c1=O MOL25333
-C=CCOCn1cc(C)c(=O)[nH]c1=O MOL25334
-C=CCOCn1ccc(NC(=O)c2ccccc2)nc1=O MOL25335
-C=CCOCn1ccc(=N)[nH]c1=O MOL25336
-C=CCOCn1cnc2c(N)ncnc21 MOL25337
-C=CCOCn1cnc2c(O)nc(N)nc21 MOL25338
-C#CCOCn1ccc(=O)[nH]c1=O MOL25339
-C#CCOCn1cc(C)c(=O)[nH]c1=O MOL25340
-C=CCOC(=O)Cn1ccc(=O)[nH]c1=O MOL25341
-C=CCOC(=O)Cn1cc(C)c(=O)[nH]c1=O MOL25342
-C=CCOC(=O)Cn1cnc2c(N)ncnc21 MOL25343
-CC(C=CC=C(C)C(=O)O)=CC=CC=C(C)C=CC=C(C)C(=O)O.c1ccncc1 MOL25344
-Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(N)=O MOL25345
-Cc1cccc(C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2c(C)cccc2C)nc1C MOL25346
-CC1=C(C(=O)NCCc2ccccc2)CC(C(=O)NCCc2ccccc2)=C(C)N1 MOL25347
-O=C1C=C(Nc2cccnc2)c2ccccc2C1=NO MOL25348
-Cc1nc(C)c(C(=O)NNC(=O)C[n+]2ccccc2)cc1C(=O)NNC(=O)C[n+]1ccccc1.[Cl-] MOL25349
-CC1=C(C(=O)NCCCN(CCO)CCO)CC(C(=O)NCCCN(CCO)CCO)=C(C)N1 MOL25350
-CC1=C(C(=O)NC(C)(C)C)CC(C(=O)NC(C)(C)C)C(C)N1 MOL25351
-CC1=C(C(=O)N(C(C)C)C(C)C)CC(C(=O)N(C(C)C)C(C)C)=C(C)N1 MOL25352
-Cc1nc(C)c(C(=O)NNC(=O)Cc2ccccc2)cc1C(=O)NNC(=O)Cc1ccccc1 MOL25353
-CCCCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCCCC)C1 MOL25354
-CC1=C(C(=O)NNC(=O)CC#N)CC(C(=O)NNC(=O)CC#N)=C(C)N1 MOL25355
-CCc1cccc(CC)c1NC(=NC(=O)c1ccc(Br)cc1)SC.I MOL25356
-Cc1ccc(Nc2nc(C)c(C(=O)CC(=NNC(N)=S)C(=O)Nc3ccc(Cl)cc3C)s2)cc1 MOL25357
-COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)nc1CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C MOL25358
-O=C(NC(=S)Nc1ncc([N+](=O)[O-])s1)c1ccccc1C(=O)NC(=S)Nc1ncc([N+](=O)[O-])s1 MOL25359
-CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2ccc(Cl)cc2Cl)nc1CC(=O)C(=O)Nc1ccc(Cl)cc1Cl MOL25360
-Cc1nc(C)c(C(=O)NNC(=O)c2ccccc2)cc1C(=O)NNC(=O)c1ccccc1 MOL25361
-Cc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3c(C)cccc3C(C)(C)C)s2)cc1 MOL25362
-CC1=C(C(=O)NNC(=O)C[N+](C)(C)C)CC(C(=O)NNC(=O)C[N+](C)(C)C)=C(C)N1.[ClH2+] MOL25363
-Cc1cccc(C)c1Nc1nc(C)c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)s1 MOL25364
-CCc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2c(CC)cccc2C(C)(C)C)nc1C MOL25365
-Cc1[nH]c(=N)sc1C(=O)Nc1nnc[nH]1 MOL25366
-Cc1nc(C)c(C(=O)NNC(N)=S)cc1C(=O)NNC(N)=S MOL25367
-Cc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2[N+](=O)[O-])nc1C MOL25368
-COC(=O)c1cc(C(=O)OC)c(CC(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)Nc2cccc(C(F)(F)F)c2)nc1CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 MOL25369
-Cc1ccc(NC(=O)C(=O)CC(=O)c2sc(Nc3c(C)cccc3C)nc2C)cc1C MOL25370
-CCCCCCN(CCCCCC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CCCCCC)CCCCCC)C1 MOL25371
-CC1=C(C(=O)NNC(=O)c2ccccc2)CC(C(=O)NNC(=O)c2ccccc2)=C(C)N1 MOL25372
-CCc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2Cl)nc1C MOL25373
-I.O=CSC(=Nc1ccc(Cl)cc1)NC(=O)COc1ccc(Cl)cc1 MOL25374
-Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C(=O)NNS(=O)(=O)c3ccc(C)cc3)c(C)nc2C)cc1 MOL25375
-Cc1nc(C)c(C(=O)NNC(=O)C[N+](C)(C)C)cc1C(=O)NNC(=O)C[N+](C)(C)C.[Cl-] MOL25376
-CCCCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CCCC)C1 MOL25377
-NC(=S)NN=C1C(=O)C=C(Nc2ccc(Cl)cc2Cl)c2ccccc21 MOL25378
-CCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCC)C1 MOL25379
-COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1CC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 MOL25380
-CC1=C(C(=O)NNC(=O)Cc2ccccc2)CC(C(=O)NNC(=O)Cc2ccccc2)=C(C)N1 MOL25381
-Cc1cccc(C)c1NC(=NC(=O)c1ccccc1C(=O)N=C(NNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Nc1c(C)cccc1C)NNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] MOL25382
-Cc1ccc(NC2=CC(=O)C(NO)c3ccccc32)cc1 MOL25383
-Cc1sc(NN=C2C(=O)Nc3ccccc32)nc1-c1ccccc1 MOL25384
-COc1cccc(C=C2SC(NNc3nc(C)c(C)s3)=NC2=O)c1O MOL25385
-CC1=CC(=O)C(=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1 MOL25386
-CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)Nc2ccccc2C1=O MOL25387
-NC(=S)NNC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 MOL25388
-O=C(Cc1csc(NN=C2C(=O)Nc3ccccc32)n1)Nc1ccccc1 MOL25389
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2ccccc2O)C1=O MOL25390
-Cc1ccccc1NC(=O)Cc1csc(NN=C2C(=O)Nc3ccccc32)n1 MOL25391
-CC1=CC(=O)C(=CNC(=S)c2ccccc2)C(=O)O1 MOL25392
-CCCNC(=S)NC=C1C(=O)C=C(C)OC1=O MOL25393
-CC(=O)NC1=NC(=Cc2cc([N+](=O)[O-])ccc2O)CN1C MOL25394
-COc1cc(C=C2C(=O)N=C(NC(C)=O)N2C)ccc1OC(C)=O MOL25395
-CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)C=C(C)OC1=O MOL25396
-O=C1Nc2ccccc2C(=O)C1=CNC(=S)NCCc1ccccc1 MOL25397
-CC(=O)C1C(=O)C(=O)N(c2cccc(C)c2C)C1=O.[NaH] MOL25398
-O=C1Nc2ccccc2C(=O)C1=CNC(=S)NCc1ccccc1 MOL25399
-O=C1C(=CNC(=S)c2ccccc2)C(=O)c2ccccc21 MOL25400
-CC1=CC(=O)C(=CNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)O1 MOL25401
-O=C1Oc2ccccc2C(=O)C1=CNC(=S)NCCc1ccccc1 MOL25402
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)Sc2scc(-c3ccc([N+](=O)[O-])cc3)[n+]21.[Br-] MOL25403
-Cc1ccc(C=C2Sc3scc(-c4ccccc4)[n+]3C2=O)cc1 MOL25404
-O=C1C(=Cc2ccc3c(c2)OCO3)Sc2scc(-c3ccc(O)c(O)c3)[n+]21.[ClH2+] MOL25405
-O=C1C(=Cc2ccc(Cl)cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21.[Cl-] MOL25406
-O=C1NC(=O)C(=Cc2ccncc2)N1 MOL25407
-Cc1cccc(C)c1NC(=O)C(=O)C(c1ccccc1Cl)S(=O)(=O)Cc1ccccc1Cl MOL25408
-O=[N+]([O-])c1ccc(C=c2sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3c2=Cc2ccc([N+](=O)[O-])cc2)cc1.[Br-] MOL25409
-Cc1ccc(C=C2NC(=S)SC2=O)cc1 MOL25410
-NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1 MOL25411
-O=C(NNc1cnnc(O)c1Cl)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL25412
-COc1cc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2ccc(O)c(OC)c2)ccc1O MOL25413
-O=C(NC1CCCCC1)C(=Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1 MOL25414
-O=C1OC(c2ccccc2)NC1=Cc1ccc2c(c1)OCO2 MOL25415
-CN(N)c1cnn(-c2ccccc2)c(=O)c1Cl MOL25416
-O=CC(=O)C(C(=O)O)[N+](=O)[O-].[NaH] MOL25417
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O MOL25418
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O MOL25419
-Cc1cn(C2CC(O)C(COC(=O)CCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O MOL25420
-O=C1OC(=C(Cl)c2cccc3ccccc23)c2ccccc21 MOL25421
-O=C(C=Cc1cccc(Br)c1)c1cccs1 MOL25422
-O=C(C(=CC(=O)c1cccs1)c1ccsc1)c1ccc(Br)cc1 MOL25423
-O=C(CC(C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccc(Br)cc1 MOL25424
-COc1ccc(C(CC(=O)c2ccccc2)C(=O)c2ccc3c(c2)OCO3)cc1 MOL25425
-COc1ccc(C(CC(=O)c2cccs2)C(=O)c2cccs2)cc1 MOL25426
-COc1ccc(C(CC(=O)c2cccs2)C(=O)c2ccc3c(c2)OCO3)cc1 MOL25427
-COc1ccc(C=CC(=O)c2ccc(Br)cc2)cc1 MOL25428
-O=C(CC(C(=O)c1ccc(F)cc1)c1ccsc1)c1cccs1 MOL25429
-Brc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2Cc2ccccc2)cc1 MOL25430
-O=C(C=Cc1cccs1)c1ccc(Cl)s1 MOL25431
-O=C(C=Cc1cccs1)c1ccc(Cl)cc1 MOL25432
-O=C(C=Cc1ccc(Cl)cc1)c1cccs1 MOL25433
-O=C(C=Cc1ccsc1)c1ccc(Cl)s1 MOL25434
-O=C(C=Cc1ccsc1)c1ccc(Cl)cc1 MOL25435
-O=C(C=Cc1ccc(Cl)cc1)c1ccc(Cl)s1 MOL25436
-O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)cc1 MOL25437
-O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccc(Cl)s1 MOL25438
-O=C(CC(C(=O)c1cccs1)c1cccs1)c1ccsc1 MOL25439
-O=C(C=Cc1cccs1)c1ccsc1 MOL25440
-O=C(CC(C(=O)c1ccsc1)c1cccs1)c1ccsc1 MOL25441
-O=C(C=Cc1ccsc1)c1ccsc1 MOL25442
-O=C(CC(C(=O)c1ccsc1)c1ccsc1)c1ccsc1 MOL25443
-O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccsc1 MOL25444
-O=C(C=Cc1cccs1)c1ccc([N+](=O)[O-])cc1 MOL25445
-c1csc(-c2cc(-c3cccs3)c(-c3ccsc3)s2)c1 MOL25446
-O=C(CC(C(=O)c1cccs1)c1cccs1)c1ccccc1Cl MOL25447
-O=C(C=Cc1ccsc1)c1cccs1 MOL25448
-O=C(CC(C(=O)c1cccs1)c1ccsc1)c1cccs1 MOL25449
-Cc1ccsc1C(=O)C(CC(=O)c1cccs1)c1ccsc1 MOL25450
-Cn1c(-c2cccs2)cc(-c2ccsc2)c1-c1cccs1 MOL25451
-Cn1c(-c2cccs2)cc(-c2ccsc2)c1-c1ccsc1 MOL25452
-c1csc(-c2cc(-c3ccsc3)c(-c3cccs3)s2)c1 MOL25453
-c1csc(-c2cc(-c3ccsc3)c(-c3ccsc3)s2)c1 MOL25454
-c1csc(-c2cc(-c3cccs3)c(-c3cccs3)s2)c1 MOL25455
-O=C(C=Cc1cccs1)c1ccc(C(=O)C=Cc2cccs2)cc1 MOL25456
-O=C(C=C(C(=O)c1cccs1)c1cccs1)c1ccc(C(=O)C=C(C(=O)c2cccs2)c2cccs2)cc1 MOL25457
-Cn1c(-c2ccc(-c3cc(-c4cccs4)c(-c4cccs4)n3C)cc2)cc(-c2cccs2)c1-c1cccs1 MOL25458
-C[n+]1c(-c2ccc(C=NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.[Br-] MOL25459
-C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.Cc1ccc(S(=O)(O)=[OH+])cc1 MOL25460
-C[n+]1c(-c2ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5cc(Cl)ccc5[n+]4C)cc3)cc2)cn2cc(Cl)ccc21.Cl.[Cl-] MOL25461
-C[n+]1c(-c2ccc(C=NNc3n[nH]c(=S)n3NN=Cc3ccc(-c4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21.[Br-] MOL25462
-Cc1ccc2n(c1)cc(-c1ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5cc(C)ccc5[n+]4C)cc3)cc1)[n+]2C.Cl.[Cl-] MOL25463
-C[n+]1c(-c2ccc(C=NNC(=N)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.Cl.[Cl-] MOL25464
-C[n+]1c(-c2ccc(C=NNC(=O)C(=O)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.[Br-] MOL25465
-C[n+]1c(-c2ccc(C=NNC(=S)NN=Cc3ccc(-c4cn5ccsc5[n+]4C)cc3)cc2)cn2ccsc21.[Br-] MOL25466
-Br.C[n+]1c(-c2ccc(C=NNc3ccnc(NN=Cc4ccc(-c5cn6ccsc6[n+]5C)cc4)n3)cc2)cn2ccsc21.[Br-] MOL25467
-O=C1OC(=C(Br)c2ccc([N+](=O)[O-])cc2)c2ccccc21 MOL25468
-Cc1cccc(C(Br)=C2OC(=O)c3ccccc32)c1 MOL25469
-O=C1OC(=C(Br)c2ccccc2)c2ccccc21 MOL25470
-COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl MOL25471
-O=C1CC2C=CC(O)C(C1)C2 MOL25472
-Cc1ccc(SC2C(=O)C3CC(OCc4ccccc4)C2(C)C3(C)C)cc1 MOL25473
-O=C1C=CC2CCC1C2 MOL25474
-O=C1CCC2CCC1C2 MOL25475
-CC1(C)C2CC(O)C1(C)CC2=O MOL25476
-CC(=O)OC1CC2(C)C(OC(C)=O)CC1C2(C)C MOL25477
-CN1C2CC(C#N)C1C=CC2=O MOL25478
-CN1C2C=CC(=O)C1C(C#N)C2 MOL25479
-CN1C2CC(C#N)C1C=CC2=O MOL25480
-Oc1ccc[n+](Cc2ccccc2)c1.[Br-] MOL25481
-O=C1OC2C=CCC1C2 MOL25482
-O=C(CCNC(=O)OCc1ccccc1)OCCCNC(=O)OCc1ccccc1 MOL25483
-C=C(C)COC1CCCCO1 MOL25484
-C=C(C)OCOCCOC MOL25485
-COC(=O)CCNC(=O)OCc1ccccc1 MOL25486
-CC1(C)C2C=CC1(C)C1(CC2)OCCO1 MOL25487
-CC12CCC(C(=O)OC1=O)C2(C)C MOL25488
-CC1(C)C2CC(=O)C1(C)C(O)C2Br MOL25489
-CCOC(=O)OC1C(Br)C2CCC1(C)C2(C)C MOL25490
-CC(=O)OC1CC2CCC1(C)C2(C)C.CC(=O)OC1CC2CCC1(C)C2(C)C MOL25491
-CC1(C)C2CC(=O)C1(C)C(OCc1ccccc1)C2Br MOL25492
-CC(=O)OC1CC2C(=O)CC1(C)C2(C)C MOL25493
-CC(=O)OC1CC2C(=C[N+](=O)[O-])C(=O)C1(C)C2(C)C MOL25494
-B.CC(=O)OC1CN2CCC1CC2 MOL25495
-CC(=O)OC1CC2C(=O)CC1(C)C2(C)C MOL25496
-C=C=C(C)[Si](C)(C)C MOL25497
-C=C(COCO)C(C)=O MOL25498
-C=C(CO[Si](C)(C)C(C)(C)C)C(C)=O MOL25499
-CC1(C)C2CC(=O)C1(C)C(OCc1ccccc1)C2 MOL25500
-CC1(C)C2CCC(=O)C1CC2 MOL25501
-CC1(C)C2CCC(=O)C1C(OCc1ccccc1)C2 MOL25502
-CC1(C)C2CCC1C(=O)C(C=O)C2 MOL25503
-CC1(C)C2CCC1C(=O)C1(C=CC(=O)CC1)C2 MOL25504
-CC1(C)C2CC(O)C1CCC2=O MOL25505
-C[n+]1cccc(O)c1.[I-] MOL25506
-O=C(O)CCNC(=O)OCc1ccccc1 MOL25507
-CC(=O)OC1CN2CCC1CC2 MOL25508
-Nc1ncnc2c1ncn2C1CCC2(CO)CC12 MOL25509
-Cl.O=C1c2ccccc2Sc2ccccc2N1CCCCCCN1CCN(c2ccc(F)cc2)CC1 MOL25510
-Cl.O=C1c2ccccc2Sc2ccccc2N1CCCCCN1CCN(c2ccc(F)cc2)CC1 MOL25511
-Cl.O=C1c2ccccc2Sc2ccccc2N1CCCCN1CCN(c2ccc(F)cc2)CC1 MOL25512
-Cl.O=C1c2ccccc2Sc2ccccc2N1CCCN1CCN(c2ccc(F)cc2)CC1 MOL25513
-Cl.O=C1c2ccccc2Sc2ccccc2N1CCN1CCN(c2ccc(F)cc2)CC1 MOL25514
-COc1ccc(C(=O)C=Cc2ccc(OCCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 MOL25515
-COc1ccc(C(=O)C=Cc2ccc(OCCCCCCCCCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 MOL25516
-COc1ccc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4ccc(OC)cc4)cc3)cc2)cc1 MOL25517
-COc1ccc(C(=O)C=Cc2ccc(OCCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC MOL25518
-COc1ccc(C(=O)C=Cc2ccc(OCCCCCCCCCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)c(OC)c1 MOL25519
-COc1ccc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC MOL25520
-CCCC(=O)N1CCN(c2ccc3c(c2)OC(C)O3)CC1.Cl MOL25521
-N#CCOc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1 MOL25522
-COc1ccc(C(=O)C=Cc2ccc(OCC#N)cc2)cc1 MOL25523
-COc1ccc(C(=O)C=Cc2ccc(OCC#N)cc2)cc1OC MOL25524
-COc1cc(C(=O)C=Cc2ccc(OCC#N)cc2)cc(OC)c1OC MOL25525
-COc1ccc(C(=O)C=Cc2ccc(OCC(=N)N)cc2)cc1.Cl MOL25526
-CC1(O)C(=O)OC2CC(C3(O)CCC4C5CC6OC67C(O)C=CC(=O)C7(C)C5CCC43C)C1(C)C2 MOL25527
-O=C(NS(=NS(=O)(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 MOL25528
-CCC(=O)NS(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl MOL25529
-O=S(=O)(N=S(Nc1ccccc1)C(Cl)Cl)c1ccccc1 MOL25530
-O=S(=O)(N=S(Nc1ccccc1)C(F)(F)Cl)c1ccccc1 MOL25531
-CCOC(=O)C(Cl)(Cl)S(=NS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1 MOL25532
-CC(=O)N=S(NC(=O)c1ccc(C)cc1)C(Cl)(Cl)Cl MOL25533
-CCCCC(=O)NS(=NC(=O)c1ccccc1)C(Cl)(Cl)Cl MOL25534
-CN1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1 MOL25535
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL25536
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL25537
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccccc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccccc1O.[NaH] MOL25538
-COc1cc(OC)c2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl MOL25539
-COc1cc(OC)c2nc3ccccc3c(NCCC[N+](C)(C)O)c2c1[N+](=O)[O-].Cl.[Cl-] MOL25540
-CCCCOCOc1ccccc1P1(=O)COc2ccccc2OC1 MOL25541
-CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C MOL25542
-CC(CCC(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C MOL25543
-CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C MOL25544
-CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C MOL25545
-CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C MOL25546
-CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C MOL25547
-CC(CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C)C(=O)O MOL25548
-CC(CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C)C(=O)O MOL25549
-CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C MOL25550
-CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL25551
-CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CC(O)C12C MOL25552
-COc1ccc(OC)c2c(C(C)=O)cccc12 MOL25553
-COc1ccc(OC)c2c1C=CC(C1(C)SCCS1)C2C(C)=O MOL25554
-Cc1ccc(SC(=O)N2C(=S)N=C(NC3CCCCC3)C23CCCCC3)cc1 MOL25555
-O=S(Cc1ccccc1)c1ccccc1Cn1cccc1 MOL25556
-COc1ccc(CSc2ccccc2Cn2cccc2)cc1OC MOL25557
-C=C(CCCC(C)=CC=CC1(C)CCCc2ccoc21)CC(=O)O MOL25558
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccccc1)SC(=N)N2 MOL25559
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccccc1O)SC(=N)N2 MOL25560
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1 MOL25561
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2 MOL25562
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2 MOL25563
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccc(O)cc1)SC(=N)N2 MOL25564
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2 MOL25565
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1cccc([N+](=O)[O-])c1)SC(=N)N2 MOL25566
-COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)ccc1O MOL25567
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1OC MOL25568
-Cc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc1 MOL25569
-COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccc(Cl)cc2)cc(OC)c1OC MOL25570
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(C=Cc1ccccc1)SC(=N)N2 MOL25571
-Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1C(c1ccco1)SC(=N)N2 MOL25572
-Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1)SC(=N)N2 MOL25573
-Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1O)SC(=N)N2 MOL25574
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1 MOL25575
-Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccc(Cl)cc1)SC(=N)N2 MOL25576
-Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2 MOL25577
-Cc1nn(C(=O)c2ccncc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(=N)N2 MOL25578
-Cc1nn(C(=O)c2ccncc2)c2c1C(c1cccc([N+](=O)[O-])c1)SC(=N)N2 MOL25579
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1OC MOL25580
-Cc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1 MOL25581
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccccc1)SC(=N)N2 MOL25582
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccccc1O)SC(=N)N2 MOL25583
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1 MOL25584
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc([N+](=O)[O-])cc1)SC(=N)N2 MOL25585
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc(O)cc1)SC(=N)N2 MOL25586
-COc1cccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)c1 MOL25587
-COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)ccc1O MOL25588
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc(O)cc1O)SC(=N)N2 MOL25589
-COc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1OC MOL25590
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccco1)SC(=N)N2 MOL25591
-Cc1ccc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1 MOL25592
-COc1cc(C2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc(OC)c1OC MOL25593
-Cc1nn(C(=O)c2ccccc2O)c2c1C(c1ccc3ccccc3c1O)SC(=N)N2 MOL25594
-CCN1CC2(C)CCC(OC)C34C5CC6C(OC)CC(OC)(C5C6OCc5ccccc5)C(C(OC(C)=O)C23)C14 MOL25595
-CCN1CC2(C)CCC(OCc3ccccc3)C34C5CC6CCC(O)(C(CC23)C14)C5C6OCc1ccccc1 MOL25596
-O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1ccnc2ccccc12 MOL25597
-O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1cccc2cccnc12 MOL25598
-CN(N=Cc1cccs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL25599
-O=[N+]([O-])c1ccc(Cl)cc1NN=Cc1cccs1 MOL25600
-CN(N=Cc1cccs1)c1ccc(Cl)cc1[N+](=O)[O-] MOL25601
-CN1CCN(Cc2ccccc2)CC1CC#N MOL25602
-CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CC#N MOL25603
-COCOC1C=CCCCCC(=O)C(C)C#CC1 MOL25604
-O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3ccccc3Cc3ccccc31)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 MOL25605
-O=[N+]([O-])c1ccc2c(c1)C(=NN=C1c3cc([N+](=O)[O-])ccc3-c3c1cc([N+](=O)[O-])cc3[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 MOL25606
-CC(=O)c1sc(Nc2ccc(Cl)c(Cl)c2)nc1C MOL25607
-Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)C=Cc1ccc2c(c1)OCO2 MOL25608
-O=P(O)(CN1CCN(CP(=O)(O)c2ccccc2)CCN(CP(=O)(O)c2ccccc2)CC1)c1ccccc1 MOL25609
-CCOC(=O)c1cn(CC)c2ccc3ccsc3c2c1=O MOL25610
-CCOC(=O)c1cn(CC)c2ccc3c(c2c1=O)S(=O)(=O)C=C3 MOL25611
-CCCCn1cc(C(=O)O)c(=O)c2c3sccc3ccc21 MOL25612
-CCOC(=O)c1c[nH]c2cc3c(cc2c1=O)CCS3 MOL25613
-CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)S(=O)(=O)CC3 MOL25614
-O=c1nc2n(cc1C=CBr)C1CC(O)C(CO2)O1 MOL25615
-COc1ccc2c3c1OC1C(OC)(OC)CC4(C=C2)CN(C)CCC314 MOL25616
-COc1ccc(-c2nc(Nc3ccccc3)sc2Cc2sc(Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1 MOL25617
-CCn1c2ccccc2c2ccc(C3C(C(=O)OC)=C(C)NC(C)=C3C(=O)OC)cc21 MOL25618
-Oc1ccc(Br)cc1C=Nc1c(NC2CCCCC2)oc2ccc(Br)cc12 MOL25619
-CCOC(OCC)N1C(=O)C2(C(OCC)OCC)CC3C(OC(=O)N3N)c3cccc1c32 MOL25620
-O=c1c2nn[nH]c2nc2n1CC(c1ccccc1)S2 MOL25621
-CC1CSc2nc3[nH]c(=S)[nH]c3c(=O)n2C1 MOL25622
-CCOC(=O)N(c1ccccc1)c1cc(=O)n2ccccc2n1 MOL25623
-O=C1SC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 MOL25624
-c1ccc(N=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 MOL25625
-Cc1ccc(N=C2SC(c3ccc(C)cc3)(c3ccc(C)cc3)c3ccccc32)cc1 MOL25626
-CC1=NN(c2ccccc2)C(=O)C1=C1SC(c2ccccc2)(c2ccccc2)c2ccccc21 MOL25627
-c1ccc(C2(c3ccccc3)SC(=C3SC(c4ccccc4)(c4ccccc4)c4ccccc43)c3ccccc32)cc1 MOL25628
-COc1ccc([C+]2SC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.[O-][Cl+3]([O-])([O-])O MOL25629
-O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1 MOL25630
-O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1ccccc1 MOL25631
-O=c1c2ccccc2sc2ccccc12 MOL25632
-O=C1c2ccccc2S(=O)(=O)c2ccccc21 MOL25633
-O=C(O)c1ccccc1Sc1ccccc1[N+](=O)[O-] MOL25634
-CCC(C)C1N[Ir-3]([PH](C)(C)C)([PH](C)(C)C)([PH](C)(C)C)[OH+]C1=O.[Cl-] MOL25635
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(c2c[nH]c3ccccc23)C(=O)[OH+]1.[Cl-] MOL25636
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2ccccc2)C(=O)[OH+]1.[Cl-] MOL25637
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2ccc(O)cc2)C(=O)[OH+]1.[Cl-] MOL25638
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)[OH+]C(=O)C2CCCN21.[Cl-] MOL25639
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(CO)C(=O)[OH+]1.[Cl-] MOL25640
-CC(=O)Oc1ccc2c(c1)[nH]c1c3ccc(OC(C)=O)cc3oc(=O)c21 MOL25641
-COc1ccc2c(c1)[nH]c1c3ccc(OC)cc3oc(=O)c21 MOL25642
-CCn1c(=O)c2c3ccc(OC(C)=O)cc3[nH]c2c2ccc(OC(C)=O)cc21 MOL25643
-CCn1c(=O)c2c3ccc(O)cc3[nH]c2c2ccc(O)cc21 MOL25644
-CCn1c(=O)c2c3ccc(OC)cc3[nH]c2c2ccc(OC)cc21 MOL25645
-O=c1c2c3ccccc3[nH]c2c2cccc3c2n1CCC3 MOL25646
-COc1ccc2c(c1)nc(O)c1c3ccccc3[nH]c21 MOL25647
-CC(=O)Oc1ccc2c(c1)oc1c3ccc(OC(C)=O)cc3n(C)c(=O)c21 MOL25648
-CCn1c(=O)c2c3ccc(O)cc3oc2c2ccc(O)cc21 MOL25649
-CCn1c(=O)c2c3cc(OC(C)=O)ccc3oc2c2ccc(OC(C)=O)cc21 MOL25650
-CCn1c(=O)c2c3cc(O)ccc3oc2c2ccc(O)cc21 MOL25651
-Oc1nc2ccccc2c2oc3ccccc3c12 MOL25652
-Cc1ccc2c(n1)NC(=O)C(Cc1ccccc1)(N=[N+]=[N-])C2=O MOL25653
-Cn1c(=O)c(-c2ccccc2)c(N=[N+]=[N-])c2ccccc21 MOL25654
-COc1ccc2c(N=[N+]=[N-])c(-c3ccccc3)c(=O)oc2c1 MOL25655
-[N-]=[N+]=Nc1c([N+](=O)[O-])c(=O)n2c3c(cccc13)CCC2 MOL25656
-[N-]=[N+]=NC1(c2ccccc2)C(=O)c2cccc3c4ccccc4n(c23)C1=O MOL25657
-CCCCC1(N=[N+]=[N-])C(=O)c2cccc3c2N(CCC3)C1=O MOL25658
-CCCCCCCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O MOL25659
-CC(=O)N1C(OCc2ccccc2)CCN1c1ccccc1 MOL25660
-CC(=O)N1C(Nc2ccccc2)CCN1c1ccccc1 MOL25661
-CC(=O)N1C(Nc2ccccn2)CCN1c1ccccc1 MOL25662
-CC(=O)N1C(Nc2nccs2)CCN1c1ccccc1 MOL25663
-CC(=O)N1C(OC(C)C)CC(C)N1c1ccccc1 MOL25664
-CC(=O)N1C(c2[nH]c3ccccc3c2-c2ccccc2)CCN1c1ccccc1 MOL25665
-CC(=O)N1C(c2[nH]c3ccccc3c2Cc2ccccc2)CCN1c1ccccc1 MOL25666
-COC1CCON1C(=O)c1ccccc1 MOL25667
-O=C(c1ccccc1)N1OCCC1Nc1ccc(Br)cc1 MOL25668
-CC1CC(Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1 MOL25669
-CCOC1CCN(C(=O)c2ccccc2)O1 MOL25670
-O=C(c1ccccc1)N1CCC(Nc2nccs2)O1 MOL25671
-CCOC1CC(C)N(C(=O)c2ccccc2)O1 MOL25672
-COc1ccc(NC2CC(C)N(C(=O)c3ccccc3)O2)cc1 MOL25673
-CC(=O)N1C(Nc2cccc3nc(C)ccc23)CCN1c1ccccc1 MOL25674
-CC(=O)N1C(Nc2cnc3ccccc3c2)CCN1c1ccccc1 MOL25675
-CC(=O)NN(c1ccccc1)C1CCN(c2ccccc2)N1C(C)=O MOL25676
-CC(=O)Nc1ccccc1NC1CC(C)N(c2ccccc2)N1C(C)=O MOL25677
-CC(=O)N1C(NN(C)C)CCN1c1ccccc1 MOL25678
-Cc1cn(C2CSC(CO)CO2)c(=O)[nH]c1=O MOL25679
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL25680
-CC(C)CCCC(C)C1CCC2C3CCC4CC(=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL25681
-CC1=C(C(=O)NNC(=O)C[n+]2ccccc2)CC(C(=O)NNC(=O)C[n+]2ccccc2)=C(C)N1.[Cl-] MOL25682
-CCCCN(C)C(=O)C1=C(C)NC(C)=C(C(=O)N(C)CCCC)C1 MOL25683
-CC1=C(C(=O)NNC(=O)c2ccccc2O)CC(C(=O)NNC(=O)c2ccccc2O)=C(C)N1 MOL25684
-CCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCC)C1 MOL25685
-CC1=C(C(=O)NCC(C)O)CC(C(=O)NCC(C)O)=C(C)N1 MOL25686
-COC(=O)c1cc(C(=O)OC)c(CC(=NNC(N)=S)C(=O)Nc2ccc(Cl)c(Cl)c2)nc1CC(=NNC(N)=S)C(=O)Nc1ccc(Cl)c(Cl)c1 MOL25687
-Cc1nc(Nc2ccccc2[N+](=O)[O-])sc1C(=O)CC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C MOL25688
-CC1=C(C(=O)NNC(=O)C(N)=O)CC(C(=O)NNC(=O)C(N)=O)=C(C)N1 MOL25689
-Cc1ccc(NC(=O)C(CC(=O)c2sc(Nc3ccccc3Cl)nc2C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 MOL25690
-Cc1nc(Nc2ccccc2Cl)sc1C(=O)CC(=O)C(=O)Nc1c(Cl)cccc1Cl MOL25691
-CCCNC(=NC(=O)c1ccc(Cl)cc1)SC.I MOL25692
-COCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCOC)C1 MOL25693
-O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=NO MOL25694
-Cc1ccc(Nc2nc(C)c(C(=O)CC(=NNC(N)=S)C(=O)Nc3cc(Cl)cc(Cl)c3)s2)cc1 MOL25695
-Cc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2Cl)nc1C MOL25696
-CC1=C(C(=O)Nc2cccc3c2C(=O)NC3=O)CC(C(=O)Nc2cccc3c2C(=O)NC3=O)=C(C)N1 MOL25697
-Cc1ccc(NC(=O)C(CC(=O)c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 MOL25698
-CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2cccc(C)c2C)nc1CC(=O)C(=O)Nc1cccc(C)c1C MOL25699
-CCCCCC(=O)NC(=S)Nc1nnn[nH]1 MOL25700
-CCOc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)s2)cc1 MOL25701
-CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)C1 MOL25702
-CCOc1ccc(NC(=O)C(CC(=O)c2sc(Nc3ccc(C)cc3)nc2C)=NNC(N)=S)cc1 MOL25703
-Br.CCc1cccc(CC)c1Nc1nc(-c2ccccc2-c2ccccc2)cs1 MOL25704
-CC1=C(C(=O)NC2CCCCC2)CC(C(=O)NC2CCCCC2)=C(C)N1 MOL25705
-CCOc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3ccc(C(C)C)cc3C(C)C)s2)cc1 MOL25706
-CC(O)CNC1=CC(=O)C(=O)c2ccccc21 MOL25707
-COC(=O)c1cc(C(=O)OC)c(CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)nc1CC(=NNC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1.[Cl-] MOL25708
-CCOc1ccccc1-c1nc2c(s1)C(=O)c1ccccc1C2=O MOL25709
-CCOC(=O)C(=O)N1C(C)=C(C(=O)OCC)CC(C(=O)OCC)=C1C MOL25710
-O=C1c2ccccc2C(=O)c2sc(Nc3cc(Cl)ccc3Cl)nc21 MOL25711
-CCOc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1 MOL25712
-O=C1c2ccccc2C(=O)c2sc(Nc3ccccc3C(F)(F)F)nc21 MOL25713
-CCc1cccc(CC)c1Nc1nc2c(s1)C(=O)c1ccccc1C2=O MOL25714
-Cc1ccc(Nc2nc(C)c(C(=O)CC(=O)C(=O)Nc3ccc(Cl)cc3)s2)cc1 MOL25715
-CSC(=NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1ccc(Br)cc1.I MOL25716
-Br.Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)Nc1ccccc1 MOL25717
-COC(=O)c1cc(C(=O)OC)c(CC(=NNC(N)=S)C(=O)Nc2c(C)cccc2C)nc1CC(=Nc1c(C)cccc1C)NNC(N)=S MOL25718
-O=[N+]([O-])c1ccc2nc(S)nc(S)c2c1 MOL25719
-CC1(C)CC(=O)C(=CC2CCNC2=S)C(=O)N1 MOL25720
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)Sc2scc(-c3ccc(O)c(O)c3)[n+]21.[Cl-] MOL25721
-CC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccccc1Cl)S2 MOL25722
-CC(=O)Nc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1 MOL25723
-C=CCn1c(=O)c2ccccc2[n+]2c(-c3cccc([N+](=O)[O-])c3)csc12.[Cl-] MOL25724
-Cn1c(=O)c2ccccc2[n+]2c(-c3cccc([N+](=O)[O-])c3)csc12.[Br-] MOL25725
-CC(=Cc1ccccc1)C=C1NC(=S)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O MOL25726
-COc1cc(C=C2Sc3scc(-c4cccc([N+](=O)[O-])c4)[n+]3C2=O)cc(OC)c1OC.[Cl-] MOL25727
-CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccccc1Cl)S2.[ClH2+] MOL25728
-COc1ccccc1C=C1SC(NNc2nc(C)c(C(C)=O)s2)=NC1=O MOL25729
-CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)S2.[Cl-] MOL25730
-Cc1csc2[n+]1C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)S2.[Cl-] MOL25731
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)CNC1=S MOL25732
-COc1ccccc1C=C1Sc2scc(-c3ccc(O)c(O)c3)[n+]2C1=O.[Cl-] MOL25733
-CC(=O)c1sc2n(C)c(=O)c3ccccc3[n+]2c1C.[Cl-] MOL25734
-C=CCn1c(=O)c2ccccc2[n+]2c(C)c(C(=O)OCC)sc12.[Cl-] MOL25735
-Cc1csc2n(C)c(=O)c3ccccc3[n+]12.[Cl-] MOL25736
-C=CCNC(=S)NC=C(C(C)=O)C(=O)Nc1ccccc1C MOL25737
-CCOc1ccc(NC(=S)NC=C(C(C)=O)C(=O)Nc2ccccc2C)cc1 MOL25738
-NC(=O)C(=CNC(=S)c1ccncc1)C(N)=O MOL25739
-NC(=O)[N+](=CC(=S)Nc1ccccc1Cl)C(N)=O MOL25740
-CCOP(=O)(OCC)C(=CNC(=S)c1ccncc1)C(=O)OC MOL25741
-CC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C MOL25742
-CC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)Nc1ccccc1C MOL25743
-CC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C MOL25744
-NC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(N)=O MOL25745
-N#CC(=CNC(N)=S)C(N)=O MOL25746
-Cc1ccc2c(c1)[nH]c(=S)n2C=C(C(N)=O)C(N)=O MOL25747
-CCOc1ccc(C=C2C(=O)N=C(NC(C)=O)N2C)cc1 MOL25748
-CC(=O)NC1=NC(=O)C(=Cc2ccc(C=C3C(=O)N=C(NC(C)=O)N3C)cc2)N1C MOL25749
-CCOC(=O)C(=CNC(N)=S)C(=O)c1ccccc1 MOL25750
-N#CC(=CNC(=S)c1ccncc1)C(N)=O MOL25751
-CCOP(=O)(OCC)C(=CN1C(=O)CC(=O)NC1=S)C(=O)OC MOL25752
-CC(=O)C(=CNC(=S)c1cccnc1)C(=O)Nc1ccccc1C MOL25753
-CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccccc1C MOL25754
-CC(=O)C(=CNC(N)=S)C(=O)Nc1ccccc1C MOL25755
-CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1C MOL25756
-NC(=O)C(=CN1CC(=O)NC1=S)C(N)=O MOL25757
-CCOP(=O)(OCC)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OC MOL25758
-CC(=O)C(=CNC(=S)c1ccncc1)C(=O)Nc1ccccc1C MOL25759
-N#CC(C#N)=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 MOL25760
-CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccccc1C MOL25761
-CC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)Nc1ccccc1C MOL25762
-CC(=O)C(=CN1CC(=O)NC1=S)C(=O)Nc1ccccc1C MOL25763
-NC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(N)=O MOL25764
-CC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)Nc1ccccc1C MOL25765
-NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O MOL25766
-CCCCCCCCCCCCCCCCCCNC(=S)NC=C(C(C)=O)C(=O)Nc1ccccc1C MOL25767
-Cc1cccc(C)c1NC(=S)NC=C(C(N)=O)C(N)=O MOL25768
-CC(=O)C(=Cn1c(=S)sc2ccccc21)C(=O)Nc1ccccc1C MOL25769
-CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccccc1C MOL25770
-NC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(N)=O MOL25771
-NC(=O)C(=CNC(=S)Nc1cccc(C(F)(F)F)c1)C(N)=O MOL25772
-CN(NC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)C1=C(Cl)C(=O)[N+](c2ccccc2)=CC1 MOL25773
-N#CC(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(N)=O MOL25774
-CCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC MOL25775
-CCOC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)OCC MOL25776
-Br.CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 MOL25777
-CCOC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OCC MOL25778
-N#CC(C#N)=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21 MOL25779
-Cl.O=C1Oc2ccccc2C(=O)C1=CNc1nc(-c2ccccc2)cs1 MOL25780
-N#CC(C#N)=Cn1c(=S)[nH]c2ccccc21 MOL25781
-CN(NC(=O)C(=Cc1ccc(O)cc1)NC(=O)c1ccccc1)c1ccnc2cc(Cl)ccc12 MOL25782
-CCOC(=O)C(=CNC(=S)Nc1c(CC)cccc1CC)C(=O)OCC MOL25783
-CN(NC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl MOL25784
-NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1 MOL25785
-CCOC(=O)C(=CNC(=S)c1ccncc1)C(=O)OCC MOL25786
-CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1ncc(CC(=O)Nc2ccccc2C)s1 MOL25787
-CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(C#N)C(N)=O MOL25788
-CCOC(=O)C(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)OCC MOL25789
-CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccccc1C MOL25790
-CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32 MOL25791
-COc1ccc2c(c1)C1=NCCN(CCO)c3ccc([N+](=O)[O-])c(c31)N2 MOL25792
-CCN(CC)CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32 MOL25793
-CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43 MOL25794
-COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCO)CCN=1 MOL25795
-COc1ccc2c(c1)c1c3c(ccc4ncn2c43)N(CCN(C)C)CCN=1 MOL25796
-CCN(CC)CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43 MOL25797
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(=NCCN(C)C)c2c1 MOL25798
-CCN(CC)CCN=c1c2cc(OC)ccc2[nH]c2c([N+](=O)[O-])ccc(NCCN(CC)CC)c12 MOL25799
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(=NCCCN(C)C)c2c1 MOL25800
-CCN(CC)CCCN=c1c2cc(OC)ccc2[nH]c2c([N+](=O)[O-])ccc(NCCCN(CC)CC)c12 MOL25801
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCN(C)C)c3c(=N)c2c1 MOL25802
-CCN(CC)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(OC)cc3c(=N)c12 MOL25803
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCCN(C)C)c3c(=N)c2c1 MOL25804
-CCN(CC)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(OC)cc3c(=N)c12 MOL25805
-CN(C)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12 MOL25806
-CCN(CC)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12 MOL25807
-CN(C)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12 MOL25808
-CCN(CC)CCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12 MOL25809
-COc1ccc2c(c1)C1=NCCN(CCN(C)C)c3ccc([N+](=O)[O-])c(c31)N2 MOL25810
-Cc1nc2c(O)c3c(c(O)c2nc1C)C1C=CC3CC1 MOL25811
-CN(C)CCCCN1CCc2c(n(C)c3ccccc23)C1=O.Cl MOL25812
-CC1=C(c2ccccc2)NC(=S)C(C)C(c2ccccc2)=N1 MOL25813
-CC1=C(c2ccc(C)cc2)NC(=S)C(C)C(c2ccc(C)cc2)=N1 MOL25814
-C=C1C(O)CCC2(C)C3OC(C)(C)OC3C3=C(C)C(=O)CC4(OC(C)(C)OC4C12)C3(C)C MOL25815
-NCCCNCCCCN1CC1 MOL25816
-COC(=O)C1(Cc2cccc(Cl)c2)CCCCCCN1C(=O)c1ccccc1 MOL25817
-COc1ccc(C(Nc2ccccc2)=C(CCl)c2ccccc2)cc1OC.Cl MOL25818
-COc1ccc(C(CCl)=C(Nc2ccccc2)c2ccc(OC)c(OC)c2)cc1OC.Cl MOL25819
-Fc1nc(-c2c3ccccc3c3sc4ccccc4n23)nc(N2CCOCCOCCOCCOCC2)n1 MOL25820
-Cc1ccc(N2C(=O)C=C(C3=C(O)C(=O)N(c4ccc(C)cc4)C3=O)C2=O)cc1 MOL25821
-Cc1cc(CO)c(O)c(C(=O)CC2CC(=O)NC(=O)C2)c1 MOL25822
-COCC(=O)OC1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=N MOL25823
-CC(=O)NC1=C(C)C(=O)c2c(nc3n2CCC3OC(=O)c2ccccc2)C1=N MOL25824
-CC(=O)OCC1OC(SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL25825
-CCOC(=O)Cc1nc(=O)c2cn(Cc3ccccc3)nc2[nH]1 MOL25826
-CCOC(=O)Cn1c(C)nc2nn(Cc3ccccc3)cc2c1=O MOL25827
-COc1ccc2oc3c(C)cc4c(OC)nnc(OC)c4c3c2c1 MOL25828
-COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C MOL25829
-COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C MOL25830
-COC1=NC(NC2OCC(O)C(O)C2O)=C(NC(C)=O)CN1C MOL25831
-O=C(c1cccc(C(=O)c2ccc3c4c(cccc24)C(=O)N(c2ccccc2)C3=O)c1)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O MOL25832
-CCOP(=O)(OCC)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)Nc4cc(C(=O)Nc5cc(C(=O)Nc6cc(P(=O)(OCC)OCC)c7cccc(P(=O)(OCC)OCC)c7c6)n(C)c5)n(C)c4)cn3C)cn2C)cc2c(P(=O)(OCC)OCC)cccc12 MOL25833
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(P(=O)(O)O)c5cccc(P(=O)(O)O)c5c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(P(=O)(O)O)c3cccc(P(=O)(O)O)c3c2)n(C)c1.[NaH] MOL25834
-CC(C)=CC(=O)N1CC(C)Cn2c(=S)[nH]c3cccc1c32 MOL25835
-CC1CNc2cccc3[nH]c(=S)n(c23)C1 MOL25836
-Fc1nc(Sc2ncnc3[nH]cnc23)nc(-c2c3ccccc3c3sc4ccccc4n23)n1 MOL25837
-Cn1c(=O)oc2cc(C(=O)CSC(=S)N3CCCCCC3)ccc21 MOL25838
-CC(=O)Nc1cc(Cl)cc(Cl)c1O MOL25839
-CC(=O)NC1=CC(=O)C=C(Cl)C1=O MOL25840
-CC(=O)NC1=CC(=O)c2cc(C)cc(O)c2C1=O MOL25841
-COc1cc(C)cc2c1C(=O)C(NC(C)=O)=CC2=O MOL25842
-CC(=O)OC1CC2C(=O)C(=O)C1(C)C2(C)C MOL25843
-COc1cc(C=C(C)[N+](=O)[O-])cc(OC)c1 MOL25844
-COc1cc(CC(C)=O)cc(OC)c1 MOL25845
-COc1cc(CC(C)NC(C)c2ccccc2)cc(OC)c1 MOL25846
-COc1cc(CC(C)NC(C)c2ccccc2)cc(OC)c1.Cl MOL25847
-COC12C=CC(C=C1C#N)CC2.COC12C=CC(CC1)CC2=O MOL25848
-COC12C=CC(CC1)C(C)(C)C2O MOL25849
-COC12C=CC(CC1)C(C)(C)C2OS(C)(=O)=O MOL25850
-O=S(=O)(c1ccccc1)C1(CCC2OCCO2)C=CC2(CC1)OCCO2 MOL25851
-COC12C=CC(CC1)C(C)(C)C2=O MOL25852
-COC12C=CC(CC1)C(C)(C)C2O MOL25853
-COC(=O)C1=C(O)C(C(=O)OC)C2CC(=O)CC1C2(C)C MOL25854
-Nc1cc(Cl)cc(Cl)c1O MOL25855
-CC1=C(C)SC(=C2Sc3[nH+]c(O)nc(O)c3S2)S1.CCCC[N+](CCCC)(CCCC)CCCC MOL25856
-CC1=C(C)SC(=C2Sc3c(n(C)c(=O)[nH]c3=O)S2)S1 MOL25857
-CC1=C(C)SC(=C2Sc3c(n(C)c(=O)n(C)c3=O)S2)S1 MOL25858
-CCCC[N+](CCCC)(CCCC)CCCC.Oc1nc(O)c2c([nH+]1)SC(=C1Sc3[nH+]c(O)nc(O)c3S1)S2 MOL25859
-CC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl MOL25860
-CN(C)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl MOL25861
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)NC(Cc2c[nH]cn2)C(=O)[OH+]1.[Cl-] MOL25862
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)[OH+]C(=O)C2CCCCN21.[Cl-] MOL25863
-C[PH](C)(C)[Ir-3]1([PH](C)(C)C)([PH](C)(C)C)[OH+]C(=O)c2cccc[n+]21.[Cl-] MOL25864
-CC(O)C1N[Ir-3]([PH](C)(C)C)([PH](C)(C)C)([PH](C)(C)C)[OH+]C1=O.[Cl-] MOL25865
-CC(=O)C=c1[nH]c(=CC=Cc2ccccc2)c(=O)n1C=C1C(=O)Oc2ccccc2C1=O MOL25866
-CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC MOL25867
-COc1cccc(C=C2SC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)c1O MOL25868
-N#CC(C#N)=CNC(=S)c1ccncc1 MOL25869
-CC(=O)N=C1N(C)C(=Cc2ccc(Cl)cc2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL25870
-CCOP(=O)(OCC)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)OC MOL25871
-CC(=S)NC=C(C(N)=O)C(N)=O MOL25872
-Cc1csc(NC=C2C(=O)Oc3ccccc3C2=O)n1.Cl MOL25873
-COc1ccccc1C=C1SC(=S)N(C=C2C(=O)Oc3ccccc3C2=O)C1=O MOL25874
-CC(=O)N=C1N(C)C(=Cc2cccc(Cl)c2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL25875
-CC(=O)N=C1N(C)C(=Cc2ccc(NC(C)=O)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL25876
-COc1ccc(C=C2C(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C(=NC(C)=O)N2C)cc1OC MOL25877
-CC(=O)NC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL25878
-CC(=O)N=C1N(C)C(=Cc2ccccc2Cl)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL25879
-CC(=O)N=C1N(C)C(=Cc2ccc(OC(C)=O)cc2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL25880
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S MOL25881
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S MOL25882
-N#CC(C#N)=CNC(N)=S MOL25883
-CCOC(=O)C(=CNC(=S)Nc1ccc(OCC)cc1)C(=O)c1ccccc1 MOL25884
-NC(=O)C(=CNC(=S)Nc1ccccc1)C(N)=O MOL25885
-NC(=O)C(=CNC(N)=S)C(N)=O MOL25886
-CCOC(=O)C(=O)C(=CNC(=S)c1ccncc1)C(=O)OCC MOL25887
-C=CCNC(=S)NC=C(C(=O)OCC)C(=O)C(=O)OCC MOL25888
-C=CCNC(=S)NC=C(C(N)=O)C(N)=O MOL25889
-N#CC(=Cn1c(=S)[nH]c2ccccc21)C(N)=O MOL25890
-N#CC(=CNC(=S)NCc1ccccc1)C(N)=O MOL25891
-CCOC(=O)C(=Cn1c(=O)sc2ccccc21)C(=O)c1ccccc1 MOL25892
-CCOC(=O)C(=CNC(=S)Nc1c(CC)cccc1C(C)(C)C)C(=O)c1ccccc1 MOL25893
-CCOP(=O)(OCC)C(=Cn1ccc(=O)[nH]c1=S)C(=O)OC MOL25894
-CCOC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 MOL25895
-CCOC(=O)C(=O)C(=CNC(=S)Nc1ccccc1Cl)C(=O)OCC MOL25896
-N#CC(=Cn1ccc(=O)[nH]c1=S)C(N)=O MOL25897
-C=CCNC(=S)NC=C(C#N)C(N)=O MOL25898
-Cc1c(CCCl)c(=O)n2c([nH]c3ccccc32)c1C#N MOL25899
-COCCc1c(C)c(C#N)c2n(C)c3ccccc3n2c1=O MOL25900
-Cc1c(CCCl)c(N=[N+]=[N-])n2c(nc3ccccc32)c1C#N MOL25901
-Cc1c(CCCl)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2c(nc3ccccc32)c1C#N MOL25902
-Cc1c(CCN=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N MOL25903
-Cc1c2c(n3c(nc4ccccc43)c1C#N)SCC2 MOL25904
-Cc1c(CCN2CCOCC2)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N MOL25905
-Cc1c2c(n3c(nc4ccccc43)c1C#N)NCC2 MOL25906
-CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL25907
-CSc1nc(C)c2c(n1)SCC2 MOL25908
-Cc1nc2[nH]ccn2c(=O)c1CCO MOL25909
-O=c1c2c(nc3[nH]ccn13)CCC2 MOL25910
-CCOC(=O)c1cnc2[nH]ccn2c1=O MOL25911
-O=C(O)c1cnc2[nH]ccn2c1=O MOL25912
-Cc1ccc(S(=O)(=O)n2ccn3c(=O)cc(C)nc23)cc1 MOL25913
-Cc1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O MOL25914
-Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cc(O)cc(O)c1C2=O MOL25915
-O=C1c2c(O)cc(O)cc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21 MOL25916
-O=C(O)c1cc(O)c2c(c1)C(C1c3cccc(O)c3C(=O)c3c(O)cc(C(=O)O)cc31)c1cccc(O)c1C2=O MOL25917
-CC(=O)OCc1cc(OC(C)=O)c2cc3c(OC(C)=O)cccc3c(OC(C)=O)c2c1 MOL25918
-O=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21 MOL25919
-O=C1c2cccc(O)c2Cc2c(O)cc(CO)cc21 MOL25920
-O=C(O)c1cc(O)c2c(c1)Cc1cccc(O)c1C2=O MOL25921
-C=C(C)C(CC=C(C)C)CC12CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O MOL25922
-COc1ccc(C2Oc3c(cccc3-c3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(=O)C2O)cc1O MOL25923
-CCCCCCCCC=CCCCCCCCC1CC(O)C(=O)O1 MOL25924
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL25925
-CN(C)c1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1 MOL25926
-Cc1ccccc1C=C1N=C(c2ccccc2)OC1=O MOL25927
-Cc1ccccc1C1=NC(=Cc2c(O)ccc3ccccc23)C(=O)O1 MOL25928
-COC(C)(C)C1=CCC(C)CC1 MOL25929
-COC(C)(C)C1(O)CCC(C)CC1=O MOL25930
-C=CCOC(C)(C)C1=CCC(C)CC1 MOL25931
-COC(C)(C)C1(O)CCC(C)CC1=O MOL25932
-CC(C)=CCCC(C)=CCOC(C)(C)C1=CCC(C)CC1.CC(C)=CCCC(C)=CCOC1CC(C)CCC1=C(C)C MOL25933
-CC(C)=CC1CC(C)C2(CCC3(C)CC4C5C(=CCC32)C(=O)OC5CC4(C)O)O1 MOL25934
-CC1=CC2OC3CC(O)C(C)(C2(C)CC1=O)C31CO1 MOL25935
-CC12c3ccc4c(c3C(=O)c3occ(c31)C(O)CC2O)CCC4=O MOL25936
-COC1C(O)c2coc3c2C(C)(c2ccc4c(c2C3=O)CCC4=O)C1O MOL25937
-CC(C)(O)C1OC2CCC3(C)C(O)(CCC4Cc5c([nH]c6ccccc56)C43C)C2=CC1=O MOL25938
-O=C(Nc1ccccn1)C(=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1 MOL25939
-COc1ccc(NC(=O)C(O)=CC(=O)c2ccccc2)cc1 MOL25940
-COC(=O)C(=CC(=O)c1ccc(Br)cc1)NN=C(c1ccccc1)c1ccccc1 MOL25941
-O=C(Nc1ccccc1)C(=O)C(C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 MOL25942
-Cc1ccc(C(=O)C=C(O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 MOL25943
-COc1c(F)c(F)c(C(=O)C=C2Nc3ccccc3NC2=O)c(F)c1F MOL25944
-O=C1C=CC(=NN=C(c2ccccc2)c2ccccc2)O1 MOL25945
-O=C1NC(=S)NNC12c1ccccc1-c1ccccc12 MOL25946
-N=C1NNC2(C(=O)N1)c1ccccc1-c1ccccc12 MOL25947
-S=C1NNC2(C(=S)N1)c1ccccc1-c1ccccc12 MOL25948
-S=C1N=C(Cl)C2(NN1)c1ccccc1-c1ccccc12 MOL25949
-N=C1NNC2(C(=N)N1)c1ccccc1-c1ccccc12 MOL25950
-O=C1NNC2(C(=O)N1)c1ccccc1-c1ccccc12 MOL25951
-O=C1N=C(SSC2=NC(=O)C3(NN2)c2ccccc2-c2ccccc23)NNC12c1ccccc1-c1ccccc12 MOL25952
-O=C1N=C(S(=O)(=O)O)NNC12c1ccccc1-c1ccccc12 MOL25953
-O=C(O)CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12 MOL25954
-O=C1CSC2=NCC3(NN12)c1ccccc1-c1ccccc13 MOL25955
-O=C1NC(SC(SC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)=C(SC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)SC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)=NNC12c1ccccc1-c1ccccc12 MOL25956
-O=C(O)C(SC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12)SC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12 MOL25957
-CSC1NNC2(C(=O)N1)c1ccccc1-c1ccccc12 MOL25958
-NC(=S)SC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12 MOL25959
-O=C1N=C2SC(=S)NC(=S)N2NC12c1ccccc1-c1ccccc12 MOL25960
-CC(C)(C)C1=NC(=S)SC2=NC(=O)C3(NN21)c1ccccc1-c1ccccc13 MOL25961
-O=C(CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12)NC(=S)Nc1ccccc1 MOL25962
-C=CCNC(=O)NC(=O)CSC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12 MOL25963
-O=C1N=C2SC=C(NC(=S)Nc3ccccc3)N2NC12c1ccccc1-c1ccccc12 MOL25964
-C=CCNC(=O)NC1=CSC2=NC(=O)C3(NN12)c1ccccc1-c1ccccc13 MOL25965
-Cl.OCC(O)C1NCC(O)C1O MOL25966
-O=c1ccc(-c2ccc(-n3ccnc3)cc2)nn1CCO MOL25967
-O=C1CSc2ccnc(=O)n21 MOL25968
-NC(=O)c1cc(-c2ccc(-n3ccnc3)cc2)nnc1O MOL25969
-Cl.OCC1NCC(O)C(O)C1O MOL25970
-CSC1=NC(=O)CCN1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL25971
-COc1ccc(-c2nc(SC)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1 MOL25972
-CCCN(CCC)C(=S)S.[NaH] MOL25973
-CCCCN(CCCC)C(=S)S.[NaH] MOL25974
-S=C(S)N(Cc1ccccc1)Cc1ccccc1.[NaH] MOL25975
-S=C(S)N1CCCCC1.[NaH] MOL25976
-CCCCc1ccc2[n+](c1)C(C(=O)OCC)=PC2 MOL25977
-COc1c(C(CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 MOL25978
-CC(C)C(=O)Oc1cc2c(=O)oc3c(OC(=O)C(C)C)c(OC(=O)C(C)C)cc4c(=O)oc(c1OC(=O)C(C)C)c2c34 MOL25979
-Cc1cn(C2CC(N=[N+]=[N-])C(C(=O)O)O2)c(=O)[nH]c1=O MOL25980
-Cc1cn(C2CC(N)C(C(=O)O)O2)c(=O)[nH]c1=O MOL25981
-COc1ccc(CCNC(=S)NC=C2C(=O)c3ccccc3C2=O)cc1OC MOL25982
-N#CC(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(N)=O MOL25983
-Cc1cccc(C)c1NC(=S)NC=C(C#N)C(N)=O MOL25984
-CN(NC(=O)C(=Cc1ccco1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl MOL25985
-N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(N)=O MOL25986
-CCOC(=O)C(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)OCC MOL25987
-CN(NC(=O)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)c1cnnc(O)c1Cl MOL25988
-CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccc(O)c(O)c2)cs1 MOL25989
-CCOC(=O)Cc1csc(NC=C2C(=O)Oc3ccccc3C2=O)n1.Cl MOL25990
-CN(NC(=O)C(=Cc1cc(Cl)cc(Cl)c1O)NC(=O)c1ccccc1)c1cnn(-c2ccccc2)c(=O)c1Cl MOL25991
-CCOC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1 MOL25992
-CCOC(=O)C(=O)C(=CNC(=S)Nc1c(CC)cccc1CC)C(=O)OCC MOL25993
-CN(NC(=O)C(=Cc1c(O)ccc2ccccc12)NC(=O)c1ccccc1)c1cnnc(O)c1Cl MOL25994
-CC1(C)CC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)C1 MOL25995
-N#CC(=CN1C(=O)CC(=O)NC1=S)C(N)=O MOL25996
-NC(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(N)=O MOL25997
-NC(=O)C(=CNC(=S)NCc1ccccc1)C(N)=O MOL25998
-CCOC(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)c1ccccc1 MOL25999
-CCOc1ccc(NC(=S)NC=C(C#N)C(N)=O)cc1 MOL26000
-N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(N)=O MOL26001
-CC1(C)CC(=O)C(=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(=O)C1 MOL26002
-CCOc1ccc(C=C2C(=O)N(C=C3C(=O)Oc4ccccc4C3=O)C(=NC(C)=O)N2C)cc1 MOL26003
-CC(=O)c1sc(NC=C2C(=O)Oc3ccccc3C2=O)nc1C.Cl MOL26004
-CCOC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)c1ccccc1 MOL26005
-CC(=O)N=C1N(C)C(=Cc2ccco2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL26006
-N#CC(C#N)=CN1C(=O)CNC1=S MOL26007
-CCOC(=O)C(=CNC(=S)Nc1cc(C)ccc1C)C(=O)OCC MOL26008
-N#CC(C#N)=CN1CCNC1=S MOL26009
-CC(=O)N=C1N(C)C(=Cc2cccc([N+](=O)[O-])c2)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL26010
-CCOC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)OCC MOL26011
-N#CC(C#N)=Cn1ccc(=O)[nH]c1=S MOL26012
-CC(=O)N=C1N(C)C(=Cc2ccc3c(c2)OCO3)C(=O)N1C=C1C(=O)Oc2ccccc2C1=O MOL26013
-NC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(N)=O MOL26014
-CCOP(=O)(OCC)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)OC MOL26015
-CN1CCC(O)C(CNC23CC4CC(CC(C4)C2)C3)C1 MOL26016
-Cl.Cn1c(SSc2c(-c3ccc(Cl)cc3)[nH]c(=N)n2C)c(-c2ccc(Cl)cc2)[nH]c1=N MOL26017
-CC1C(=O)C23OCC1(C)C1(O)CCC(C)C21CC3=O MOL26018
-CC(=O)OCC1OC(n2c(=S)[nH]c(-c3ccccc3)c(C#N)c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL26019
-CSc1nc(=O)c(C#N)c(-c2ccccc2)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL26020
-COc1ccc(-c2c(C#N)c(=O)nc(SC)n2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL26021
-Cc1cn(C2CC(ON3C(=O)c4ccccc4C3=O)C(CO)O2)c(=O)[nH]c1=O MOL26022
-COCOC1C=CCCCC#CC(C)C(=O)CC1 MOL26023
-COCOC1C=CCCCCc2oc(cc2C)C1 MOL26024
-Cc1nn(C)c2c1C(=O)N(C)CC(=O)N2C MOL26025
-CCn1nc(C)c2c1C(=O)NCC(=O)N2 MOL26026
-CCn1nc(C)c2c1C(=O)NC(C)C(=O)N2 MOL26027
-CC1(C)CC(=O)C(=CNC(=S)NCCc2ccccc2)C(=O)C1 MOL26028
-CCOC(=O)C(=CNC(=S)c1cccnc1)C(=O)OCC MOL26029
-CC(=O)C(=CNC(=S)Nc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1C MOL26030
-N#CC(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(N)=O MOL26031
-O=C(NNc1ccnc2cc(Cl)ccc12)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1 MOL26032
-CCOC(=O)C(=CNC(=S)Nc1ccc(OCC)cc1)C(=O)OCC MOL26033
-CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(C)c(C(C)=O)s1 MOL26034
-CC1(C)CC(=O)C(=CNC(=S)NC2CCCCC2)C(=O)C1 MOL26035
-NC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(N)=O MOL26036
-CCOC(=O)C(=CNC(=S)Nc1c(CC)cccc1C(C)(C)C)C(=O)OCC MOL26037
-CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(C#N)C#N MOL26038
-CCOC(=O)C(=CNC(=S)Nc1ccc(Cl)c(Cl)c1)C(=O)OCC MOL26039
-CCOC(=O)C(=CN1CC(=O)NC1=S)C(=O)OCC MOL26040
-CCOC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)OCC MOL26041
-CCOc1ccc(NC(=S)NC=C(C(N)=O)C(N)=O)cc1 MOL26042
-N#CC(=CN1CCNC1=S)C(N)=O MOL26043
-CCOC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)c1ccccc1 MOL26044
-CCCCCCCCCCCCCCCCCCNC(=S)NC=C1C(=O)c2ccccc2C1=O MOL26045
-CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(-c2ccccc2)cs1 MOL26046
-O=C(NNc1ccnc2cc(Cl)ccc12)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL26047
-CCN1C(=O)C(=CNc2ccccc2)SC1=NNc1nc(C)cs1 MOL26048
-O=C1c2cn[nH]c2N=C(Nc2ccccc2)C1N=Cc1ccc([N+](=O)[O-])cc1 MOL26049
-COc1ccc(-n2cnn3c(=O)c4cn[nH]c4nc23)cc1 MOL26050
-COCOc1ccc(C(=O)C(C)c2ccc(OCOC)cc2OCOC)c(O)c1 MOL26051
-COCOc1ccc(C2(O)Oc3cc(OCOC)ccc3C2C)c(O)c1 MOL26052
-CCCCCCCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C MOL26053
-CC[N+](C)(CC)Cc1ccccc1[N+](=O)[O-].[ClH2+] MOL26054
-O=[N+]([O-])c1nccn1CCCNc1c2ccccc2[n+](O)c2ccccc12.[Cl-] MOL26055
-c1ccc(C2=C3c4ccccc4C4=[N+]3[Zn-2]35[N+]6=C(C(c7ccccc7)=C7c8ccccc8C(=C4c4ccccc4)[NH+]73)c3ccccc3C6=C(c3ccccc3)C3=c4ccccc4=C2[NH+]35)cc1 MOL26056
-COc1ccc(C2=C3c4ccccc4C4=[N+]3[Zn-2]35[N+]6=C(C(c7ccc(OC)cc7)=C7c8ccccc8C(=C4c4ccc(OC)cc4)[NH+]73)c3ccccc3C6=C(c3ccc(OC)cc3)C3=c4ccccc4=C2[NH+]35)cc1 MOL26057
-CC(=C(C)c1ccc(O)cc1)c1ccc(O)cc1 MOL26058
-CCC(=Cc1ccc(OC)cc1)c1ccc(OC)cc1 MOL26059
-CCC(O)(Cc1ccc(OC)cc1)c1ccc(OC)cc1 MOL26060
-COc1ccc(OC)c2c1-c1nnnn1CCC2(C)C MOL26061
-CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)CC1C MOL26062
-CC(C)=CCN1c2ccccc2NC(=O)CC1C MOL26063
-CC(C)=CCN1CC(C)C(=O)Nc2ccccc21 MOL26064
-CC(C)=CCN1CC(C)C(=O)Nc2cc(Cl)ccc21 MOL26065
-CC(C)=CCN1c2ccc(Cl)cc2NC(=O)CC1C MOL26066
-C=CCNC(=O)N1CC(C)C(=O)Nc2ccccc21 MOL26067
-CC1CC(=O)Nc2ccccc2N1C(=O)C1CC1 MOL26068
-CC1CC(=O)Nc2cc(Cl)ccc2N1C(=O)C1CC1 MOL26069
-C(=NC12CC3CC(CC(C3)C1)C2)C1CCCCC1 MOL26070
-O=C1CN2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)C2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 MOL26071
-CC12CC(=O)Nc3ccccc3N1C(c1ccccc1)=NO2 MOL26072
-O=C1CC2(c3ccccc3)ON=C(c3ccccc3)N2c2ccccc2N1 MOL26073
-CC1(C)CC2(C)ON=C(c3ccccc3)N2c2ccccc2N1 MOL26074
-CC12CC(c3ccccc3)Nc3ccccc3N1C(c1ccccc1)=NO2 MOL26075
-CC12CC(c3ccccc3)Nc3ccccc3N1C(c1ccccc1)=NO2 MOL26076
-COCc1nc(C#N)c(N)o1 MOL26077
-N#Cc1ccc(-c2nc(C#N)c(N)o2)cc1 MOL26078
-N#Cc1nc(-c2ccco2)oc1N MOL26079
-N#Cc1nc(C=Cc2nc(C#N)c(N)o2)oc1N MOL26080
-N#Cc1nc(CCc2nc(C#N)c(N)o2)oc1N MOL26081
-N#Cc1nc(-c2ccc(-c3nc(C#N)c(N)o3)cc2)oc1N MOL26082
-N#Cc1nc(COCCOCc2ccccc2)oc1N MOL26083
-Nc1ncnc2oc(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)nc12 MOL26084
-CC(=O)OCc1ccc(-c2nc(C#N)c(N)o2)o1 MOL26085
-N#Cc1nc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc1N MOL26086
-C=C1OC(c2ccccc2NC)=NC12CCCCC2 MOL26087
-Cc1c(C(=O)C(=O)c2ccccc2)c(C)c(C(=O)C(=O)c2ccccc2)c(C)c1C(=O)C(=O)c1ccccc1 MOL26088
-O=C1CC2C(N3CCCC3)CCC(N1Cc1ccccc1)C2(O)O MOL26089
-CC1=CC(=O)C(=C(C)NCCN(CCNC(C)=C2C(=O)C=C(C)OC2=O)CCNC(C)=C2C(=O)C=C(C)OC2=O)C(=O)O1 MOL26090
-COc1ccc2c(c1)C1=NCCN(C)c3ccc([N+](=O)[O-])c(c31)N2 MOL26091
-COc1ccccc1C1=C2C(=O)N(C)C(c3ccccc3OC)=C2C(=O)N1C MOL26092
-O=[N+]([O-])c1ccc(NN=C2CN3CCN(C2)c2ccccc23)c([N+](=O)[O-])c1 MOL26093
-N#CCCCCC12C3C(=O)N(c4ccccc4)C(=O)C3ON1OC1C(=O)N(c3ccccc3)C(=O)C12 MOL26094
-CCOC(=O)c1cn(C)nc1NC(C)=CC(=O)c1ccccc1 MOL26095
-Cc1cc(-n2c(C=Cc3ccc(Cl)cc3)nc3cc(Cl)ccc3c2=O)on1 MOL26096
-COC(=O)C1=C(C)C(=O)C23C(CCCCC12)C(=O)C(C(=O)OC)C3C MOL26097
-COC1(C)CCC(OS(C)(=O)=O)CO1 MOL26098
-O=C(O)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL26099
-CC(C)OC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL26100
-CC(C)OC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL26101
-CCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL26102
-CCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL26103
-CCCCCCCCCCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Br MOL26104
-CCCCCCCCCCCCCCCCOC1N(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC(=O)C1(C)Cl MOL26105
-COc1ccccc1C=C(NC(=O)c1ccccc1)C(=O)NC(C)C MOL26106
-CCCCNC(=O)C(=Cc1cccc(N(CC)CC)c1)NC(=O)c1ccccc1 MOL26107
-COC(=O)C(O)=CC(=O)c1ccc(Cl)cc1.[NaH] MOL26108
-CCCCN(CCCC)CN1C(=O)C(=Cc2ccc(NC(C)=O)cc2)NC1=S MOL26109
-CCc1cccc(C(C)C)c1NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1 MOL26110
-O=C(Cc1csc2[n+]1C(=O)C(=Cc1ccc(Cl)cc1)S2)Nc1ccccc1.[Br-] MOL26111
-O=C1OC(c2ccccc2)=NC1=Cc1c(O)ccc2ccccc12 MOL26112
-CCCCNC(=O)C(=Cc1ccc(OC)c(OC)c1)NC(=O)c1ccccc1 MOL26113
-COC(=O)C(O)=CC(=O)c1c(C)[nH]c2ccccc12.[NaH] MOL26114
-COC(=O)C(O)=CC(=O)c1ccc(OC)cc1.[NaH] MOL26115
-CC(=Cc1ccccc1)C=C1NC(=S)NC1=O MOL26116
-Cc1ccc(-c2oc(C=Nc3ccccc3)c([N+](=O)[O-])c2-c2ccc(C)cc2)cc1 MOL26117
-CCOC(=O)Cc1csc2[n+]1C(=O)C(=Cc1ccc(OC)c(OC)c1)S2.[Cl-] MOL26118
-CC(=Cc1ccccc1)C=C1NC(=O)NC1=O MOL26119
-CC(=Cc1ccccc1)C=C1N=C(c2ccccc2)OC1=O MOL26120
-O=[N+]([O-])C(C=Nc1ccccc1)=CNc1ccccc1 MOL26121
-O=[N+]([O-])C(C=Nc1ccccc1)C=Nc1ccccc1 MOL26122
-O=C(NC1CCCCC1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL26123
-CCCCCCCCCCCCCCCCNC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL26124
-CCOc1ccc(C=C2NC(=S)N(CN3CCCCC3)C2=O)cc1 MOL26125
-COc1ccc(CCNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1OC MOL26126
-O=C(NCCc1ccccc1)C(=Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 MOL26127
-CCC(C)NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL26128
-O=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2 MOL26129
-c1cncc(-c2ncc3cccnc3n2)c1 MOL26130
-N#Cc1cc(C#N)c(N)nc1N MOL26131
-CCCCc1c2c(nc3c1CCCC3O)CCCC2 MOL26132
-CN(C)c1ccc(C=C(C#N)C(N)=C(C#N)C#N)cc1 MOL26133
-CC(O)CN1c2ccccc2Sc2ccccc21.CS(=O)(=O)O MOL26134
-C[N+](C)(C)N=Cc1ccc(O)c(O)c1.[I-] MOL26135
-COc1cccc(C=NNC(=O)C[NH+](C)C)c1O.[Cl-] MOL26136
-COc1cc(C(CN)N(C)C)cc(OC)c1OC.Cl MOL26137
-CC(Cc1cccc2c1Nc1ccccc1S2)N(C)CCO MOL26138
-N#CC(C#N)=Cc1ccc(C=C(C#N)C#N)cc1 MOL26139
-c1ccc2c(c1)Sc1ccccc1N2CCCN1c2ccccc2Sc2ccccc21 MOL26140
-CN(CCO)CCN1c2ccccc2Sc2ccccc21 MOL26141
-O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccccc21 MOL26142
-CNC(=O)OCCN1c2ccccc2Sc2ccccc21 MOL26143
-CNC(=O)OC(C)CN1c2ccccc2Sc2ccccc21 MOL26144
-COc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 MOL26145
-OCC(CN1CCCCC1)(CN1CCCCC1)CN1CCCCC1 MOL26146
-CCN(CCO)CC1COc2ccccc2O1 MOL26147
-CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccccc21 MOL26148
-CCN(CC)CCN(C(=O)C(C)(C)C)c1ccccc1N MOL26149
-CCN(CC)CCn1c(C(C)(C)C)nc2ccccc21 MOL26150
-CCC[Pb](CCC)(CCC)NS(=O)(=O)c1ccc(C)cc1 MOL26151
-N#CC(C#N)=Cc1c[nH]c2ccccc12 MOL26152
-N#CC(C#N)=Cc1cccs1 MOL26153
-CN(C)CC(CO)(CN(C)C)CN(C)C MOL26154
-COc1cccc(C=C(C#N)C#N)c1OC MOL26155
-COC(=N)CCCl.Cl MOL26156
-CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2ccc(Cl)cc21.Cl MOL26157
-Cl.O=C(N1CCN(CCO)CC1)N1c2ccccc2Sc2ccccc21 MOL26158
-ClCCCC1COc2ccccc2O1 MOL26159
-Br.COc1cc(CNC2=NCCC2)cc(OC)c1OC MOL26160
-CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-] MOL26161
-CN(CCO)CCCC1COc2ccccc2O1 MOL26162
-CC[N+](C)(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1.[I-] MOL26163
-CC(CC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-] MOL26164
-N#CCCC(CC#N)N1CCN(C(CC#N)CCC#N)CC1 MOL26165
-COC(CCC[N+](C)(C)C)CC[N+](C)(C)C.[I-] MOL26166
-Clc1ccccc1C(SCc1ccccc1)SCc1ccccc1 MOL26167
-COc1cc(C(SCc2ccccc2)SCc2ccccc2)ccc1O MOL26168
-c1ccc(CSC(SCc2ccccc2)c2ccc3c(c2)OCO3)cc1 MOL26169
-c1ccc(CSC2(SCc3ccccc3)CCCCC2)cc1 MOL26170
-FC(F)(F)c1nc2ccc(SSc3ccc4nc(C(F)(F)F)[nH]c4c3)cc2[nH]1 MOL26171
-CCN(CC)CCNC(=O)C(O)(c1ccccc1)c1ccccc1 MOL26172
-c1ccc(CSC(SCc2ccccc2)c2ccccc2)cc1 MOL26173
-Clc1ccc(C(SCc2ccccc2)SCc2ccccc2)cc1 MOL26174
-N#CC(C#N)=CC=Cc1ccccc1[N+](=O)[O-] MOL26175
-CC1=C(C)CC(C#N)(C#N)C(C#N)(C#N)C1 MOL26176
-C(=CC(SCc1ccccc1)SCc1ccccc1)c1ccccc1 MOL26177
-c1ccc(CSC(SCc2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL26178
-c1ccc(CSCCC(SCc2ccccc2)SCc2ccccc2)cc1 MOL26179
-O=C1NC(=O)C23C(=O)NC(=O)C12C1C=CC3CC1 MOL26180
-CSC(=N)Nc1cccc2ccccc12.I MOL26181
-N#CC(C#N)=Cc1cc(Cl)ccc1O MOL26182
-O=C(CC(O)(C(F)(F)F)C(F)(F)Cl)CC(O)(C(F)(F)F)C(F)(F)Cl MOL26183
-CC(NC(=O)N(C)C)NC(=O)N(C)C MOL26184
-CC(=O)CC(O)(C(F)(F)Cl)C(F)(F)Cl MOL26185
-O=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl MOL26186
-CCN(CC)c1ccc(NC(=S)NN(C)C)cc1 MOL26187
-CSc1ccc(NC(=S)NN(C)C)cc1 MOL26188
-CCN(CC)c1ccc(NC(=S)NN)cc1 MOL26189
-OC(CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl MOL26190
-OC(CC=NNc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl MOL26191
-CC(=O)CC(O)(C(F)(F)Cl)C(F)(Cl)Cl MOL26192
-OC(Cc1cnnc2ccccc12)C(Cl)(Cl)Cl MOL26193
-CCOC(CN=C=S)OCC MOL26194
-NC(=S)NN=CCC(O)(C(F)(F)F)C(F)(F)F MOL26195
-CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNC(N)=S MOL26196
-OC(CC=NN=CCC(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl MOL26197
-NC(=O)NN=CCC(O)(C(F)(F)Cl)C(F)(F)Cl MOL26198
-CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNC(N)=O MOL26199
-COc1cc(CNC(=O)CCCCCCCCC=CBr)ccc1O MOL26200
-COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O MOL26201
-CC(=O)CC1(O)C(=O)Nc2ccccc21 MOL26202
-CC(CC1(O)C(=O)Nc2ccccc21)=NO MOL26203
-O=[N+]([O-])c1ccc(NN=CCC(O)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 MOL26204
-CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL26205
-CC(C)(CCCCC(C)(C)NCC1COc2ccccc2O1)NCC1COc2ccccc2O1.Cl MOL26206
-Clc1ccc(Cl)c(N=Nc2cc3c4c(c2)CCCN4CCC3)c1 MOL26207
-Cc1cc2c3c(c1)CCCN3CCC2.Cl MOL26208
-COc1cc2c3c(c1)CCCN3CCC2 MOL26209
-CCOC(CN(C)C(=S)Nc1cccc2ccccc12)OCC MOL26210
-CCOC(CN(C)C(=O)Nc1cccc2ccccc12)OCC MOL26211
-CCOC(CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1)OCC MOL26212
-CCOC(CNCCC(=O)OC)OCC MOL26213
-OC(CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F MOL26214
-O=C1CC(C(O)(C(F)(F)F)C(F)(F)Cl)CCC1C(O)(C(F)(F)F)C(F)(F)Cl MOL26215
-O=C1CCCCC1C(O)(C(F)(F)F)C(F)(F)Cl MOL26216
-O=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl MOL26217
-NN=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl MOL26218
-O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1C(O)(C(F)(F)Cl)C(F)(F)Cl MOL26219
-O=C1C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl MOL26220
-FC(F)(F)C1(C(F)(F)F)OC(Cl)(Cl)C(Cl)(Cl)O1 MOL26221
-CCCCCCCCCCCCNC(=O)NCC(OCC)OCC MOL26222
-CCCCCC(C=NNC(N)=S)C(O)(C(F)(F)F)C(F)(F)F MOL26223
-NC(=S)NN=C1CCCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl MOL26224
-CCCCCC(C=NN)C(O)(C(F)(F)F)C(F)(F)F MOL26225
-OC(C1CCCC1=NN=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl MOL26226
-CC(=O)N(C(C)=O)c1cc2c3c(c1)CCCN3CCC2 MOL26227
-NC(=S)NN=C1CCCC1C(O)(C(F)(F)Cl)C(F)(F)Cl MOL26228
-CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN MOL26229
-C=CCOc1ccc(C2(c3ccc(OCC=C)cc3)C(=O)Nc3ccccc32)cc1 MOL26230
-CCOC1CN=C(Nc2cccc3ccccc23)S1 MOL26231
-Br.Oc1cc2c3c(c1)CCCN3CCC2 MOL26232
-OC(NN=C1CCCC1)(C(F)(F)Cl)C(F)(F)Cl MOL26233
-OC(CC(=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F MOL26234
-NN=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 MOL26235
-ON=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 MOL26236
-CC(CC(O)(C(F)(F)F)C(F)(F)F)=NO MOL26237
-OC(C1CCC=NN1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F MOL26238
-CCOC(CCNCC(OCC)OCC)OCC MOL26239
-OC(Cc1ccc2ccccc2n1)(C(F)(F)Cl)C(F)(F)Cl MOL26240
-CC(N)(CC(O)(C(F)(F)Cl)C(F)(F)Cl)C(=O)O MOL26241
-CC1(O)CC(C(F)(F)F)(C(F)(F)F)OC1=O MOL26242
-CCN(CC)C(=O)CCN1CC1 MOL26243
-N#CCN1c2ccccc2CCC1Cl MOL26244
-CCOC(=O)CC(N1CC1)N1CC1 MOL26245
-c1ccc2c(Nc3ncco3)cccc2c1 MOL26246
-Clc1ccc(Nc2ncco2)cc1Cl MOL26247
-Br.CCOC1CN(C)C(=Nc2cccc3ccccc23)S1 MOL26248
-Cn1ccoc1=Nc1ccc(Cl)c(Cl)c1 MOL26249
-CC1=CC(=NO)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 MOL26250
-OC(Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)nc(CC(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F MOL26251
-OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F MOL26252
-CNC(=O)Nc1cc2c3c(c1)CCCN3CCC2 MOL26253
-CN(C)C(=O)Nc1cc2c3c(c1)CCCN3CCC2 MOL26254
-Clc1ccc(Cl)c(N=Nc2cc3c4c(c2)CCN4CCC3)c1 MOL26255
-CCN(CC)c1cc2c3c(c1)CCCN3CCC2.Cl MOL26256
-N#CC(C#N)=CC=Cc1c(Cl)cccc1Cl MOL26257
-CNC(=O)OC(COC)CN1CCN(c2ccccc2C)CC1 MOL26258
-OC(CC(=NN1CCCCC1)c1cccs1)(C(F)(F)F)C(F)(F)F MOL26259
-CCNc1cc2c3c(c1)CCN3CCC2.Cl MOL26260
-OC(c1cc(C(O)(C(F)(F)F)C(F)(F)F)ncn1)(C(F)(F)F)C(F)(F)F MOL26261
-N=c1nn[nH]n1NC(=O)NCCCl MOL26262
-C[N+]1(C)CC=C(N2CCOCC2)CC1.[I-] MOL26263
-OC(CC(O)(C(F)(F)F)C(F)(F)F)C(O)c1ccco1 MOL26264
-CC(O)CC(O)(C(F)(F)F)C(F)(F)F MOL26265
-CC1=CC(=O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 MOL26266
-ON=C(CC(O)(C(F)(F)Cl)C(F)(F)Cl)CC(O)(C(F)(F)Cl)C(F)(F)Cl MOL26267
-CC(=O)O.NCCN1CCCCCc2ccccc21 MOL26268
-Cc1nnc(Nc2ccc(Cl)cc2)o1 MOL26269
-Nc1cnc(Nc2cccc3ccccc23)o1 MOL26270
-CC(=O)O.NCCN1CC2CCC(CC2)C1 MOL26271
-CNC(=O)NCCN1CC2CCC(CC2)C1 MOL26272
-COC(=O)CCN1CCN(CCO)CC1C MOL26273
-COC(CN(C)C(=S)Nc1cccc2ccccc12)OC MOL26274
-CCCCCC(CO)C(O)(C(F)(F)F)C(F)(F)F MOL26275
-CC=CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNC(N)=S MOL26276
-OC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)c1ccccc1 MOL26277
-CC1=CC(O)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 MOL26278
-CC1=CC(=NNC(N)=S)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 MOL26279
-I.N=C(N)NCCN1CCCCCc2ccccc21 MOL26280
-Cc1ccccc1OCC1COC(c2ccc(Cl)cc2)O1 MOL26281
-Nc1nc(Nc2ccccc2)sc1O MOL26282
-NC1CCCC2CCC(N)C12 MOL26283
-CC(=O)C=Cc1cc([N+](=O)[O-])ccc1O MOL26284
-Cc1cc(Cc2cccc3ccccc23)nc2c1ccc1ccccc12 MOL26285
-O=C1OCC(C2CCCCC2)C(Br)=C1Br MOL26286
-O=C1CC2OC(c3ccccc3)OC2CO1 MOL26287
-CC1(C)OC2COC(=O)CC2O1 MOL26288
-CC(=O)OCC1OC(=O)C2OC(c3ccccc3)OC12 MOL26289
-CC(=O)OC1C(=O)OC2COC(c3ccccc3)OC21 MOL26290
-CC1(C)OC2C(=O)OC(CO)C2O1 MOL26291
-CC1(C)OC2C(=O)OC(CO)C2O1 MOL26292
-CC(=O)OC1CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C1C(O)CC(=O)O MOL26293
-CC1(C)OC2OC3C(I)CN(C(=O)OCc4ccccc4)C3C2O1 MOL26294
-NCC(O)c1cc(I)c(Oc2ccc(O)cc2)c(I)c1 MOL26295
-O=C(O)C1C(OCc2ccccc2)C(OCc2ccccc2)CN1C(=O)OCc1ccccc1 MOL26296
-O=C(OCc1ccccc1)N1CC(O)C2OC3OC4(CCCCC4)OC3C21 MOL26297
-O=C(OCc1ccccc1)N1CCC(O)C1CO MOL26298
-O=C(OCc1ccccc1)N1CC(OCc2ccccc2)C(OCc2ccccc2)C1CO MOL26299
-CS(=O)(=O)OCC1OC2OC3(CCCCC3)OC2C1OCc1ccccc1 MOL26300
-COC(=O)C(CO)NC(=O)OC(C)(C)C MOL26301
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)C1C(O)CC(=O)OC(C)(C)C MOL26302
-OCC(O)c1cc(I)c(Oc2ccc(O)cc2)c(I)c1 MOL26303
-CC(C)(C)[Si](C)(C)OCC(NC(=O)OCc1ccccc1)C(=O)O MOL26304
-CC(C)(C)[Si](C)(C)OCC(CO)NC(=O)OCc1ccccc1 MOL26305
-COc1c(Br)cc(C=C(C#N)c2cccnc2)cc1Br MOL26306
-N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1ccccn1 MOL26307
-COc1ccc(C=C(C#N)c2ccccn2)cc1OC MOL26308
-N#CC(=Cc1cc(F)cc(F)c1)c1ccccn1 MOL26309
-N#CC(=Cc1cc(Cl)cc(Cl)c1)c1ccccn1 MOL26310
-COc1c(Br)cc(C=C(C#N)c2ccccn2)cc1Br MOL26311
-COc1cc(C=C(C#N)c2ccccn2)cc(Br)c1O MOL26312
-N#CC(=Cc1cc(Br)c(O)c(Br)c1)c1cccnc1 MOL26313
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL26314
-CCCCCc1cc(CCCC)sc1-c1ccco1 MOL26315
-c1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1 MOL26316
-Clc1cccc(-c2sc(-c3cccs3)cc2Cc2cccs2)c1 MOL26317
-CN(N=Cc1ccnc2ccccc12)c1ccc(Cl)cc1[N+](=O)[O-] MOL26318
-CN(N=Cc1cccc2cccnc12)c1ccc(Cl)cc1[N+](=O)[O-] MOL26319
-COc1ccc(CCn2cnc3ccccc32)cc1.Cl MOL26320
-Cl.Clc1ccc(CCn2ccc3ccccc32)c(Cl)c1 MOL26321
-COc1ccc(C(O)c2nccn2C)c(OC)c1 MOL26322
-CC(C)=Nn1cnc2c1=NC(C)(C)NC=2C(N)=O MOL26323
-CC(C)=NNC=NC(C#N)=C(N)C#N MOL26324
-CC(C)=Nn1cnc(C(=N)C#N)c1N MOL26325
-CSC1NC(c2ccccc2)=C(C#N)C(=O)N1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL26326
-CSC1NC(c2ccc(Cl)cc2)=C(C#N)C(=O)N1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL26327
-C=C1CCc2ccccc2C1=O MOL26328
-CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccccc1 MOL26329
-Cc1ccc(C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1 MOL26330
-COc1ccc(C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O)cc1 MOL26331
-CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)cc1 MOL26332
-CC(C)(CN1CCCCC1)C(=O)CC(SCCS(=O)(=O)O)c1ccc(Cl)c(Cl)c1 MOL26333
-CC[N+]1(C)CCC(O)(c2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)C1.[Br-] MOL26334
-O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccccc1 MOL26335
-O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc(O)cc1 MOL26336
-O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1cccc(O)c1 MOL26337
-COc1ccc(CC2COC(=O)C2Cc2ccccc2)cc1OC MOL26338
-COc1ccc(CC2COC(=O)C2Cc2ccc(O)cc2)cc1OC MOL26339
-COc1ccc(CC2COC(=O)C2Cc2cccc(O)c2)cc1OC MOL26340
-COc1cc(CC2COC(=O)C2Cc2ccc(O)c(OC)c2)ccc1O MOL26341
-COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O MOL26342
-COc1cc(CC2(O)C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O MOL26343
-COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC MOL26344
-COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1O MOL26345
-COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O MOL26346
-COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O MOL26347
-O=C(C=Cc1ccccc1)CSc1ncn[nH]1 MOL26348
-N#CC(=CNC(=S)Nc1ccccc1)C(N)=O MOL26349
-CN(NC(=O)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1)c1cnnc(O)c1Cl MOL26350
-Cc1noc(NS(=O)(=O)c2ccc(Nc3nc(CC(=O)Nc4ccccc4)cs3)cc2)c1C MOL26351
-N#CC(C#N)=CNC(=S)Nc1ccc(Cl)c(Cl)c1 MOL26352
-CCOc1ccc(NC(=S)NC=C(C#N)C#N)cc1 MOL26353
-CCOC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OCC MOL26354
-CC(=O)c1sc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc1C MOL26355
-Cc1ccc2c(c1)[nH]c(=S)n2C=C(C#N)C#N MOL26356
-NC(=O)C(=CNC(=S)c1cccnc1)C(N)=O MOL26357
-O=C1C(=CNC(=S)NCc2ccccc2)C(=O)c2ccccc21 MOL26358
-CCOP(=O)(OCC)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)OC MOL26359
-CCOC(=O)Cc1csc(NN=C2SC(=CNc3ccccc3)C(=O)N2CC)n1 MOL26360
-CCCCCCCCCCCCCCCCCCNC(=S)NC=C(C(N)=O)C(N)=O MOL26361
-Cl.O=C1Oc2ccccc2C(=O)C1=CNc1nc(-c2ccc(O)c(O)c2)cs1 MOL26362
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)n1 MOL26363
-CCOC(=O)C(=CNC(=S)Nc1c(C)cccc1C)C(=O)c1ccccc1 MOL26364
-CN(NC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)c1ccnc2cc(Cl)ccc12 MOL26365
-Cc1ccc(NC(=S)NC=C(C(N)=O)C(N)=O)c(C)c1 MOL26366
-CCOP(=O)(OCC)C(=CNC(=S)c1cccnc1)C(=O)OC MOL26367
-CCOC(=O)C(=O)C(=CN1CC(=O)NC1=S)C(=O)OCC MOL26368
-COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN(C)c2ccnc3cc(Cl)ccc23)cc1OC MOL26369
-COc1ccc(CCNC(=S)NC=C2C(=O)CC(C)(C)CC2=O)cc1OC MOL26370
-COc1ccc(C=C2C(=O)N=C(NC(C)=O)N2C)cc1OC MOL26371
-CC(=O)NC1=NC(=O)C(=Cc2cccc(Cl)c2Cl)N1C MOL26372
-CC(=O)NC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)N1C MOL26373
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)C(=Cc2ccccc2)NC1=S MOL26374
-CC(C)CN(CC(C)C)CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S MOL26375
-O=[N+]([O-])c1ccc2nc(S)nc(S)c2c1 MOL26376
-NC(=S)C(=S)NC=C1C(=O)Oc2ccccc2C1=O MOL26377
-S=c1[nH]c2ccccc2c(=S)n1CN1CCCCC1 MOL26378
-CC1(C)CC(=O)C(=CNC(=S)C(N)=S)C(=O)C1 MOL26379
-COc1ccc(C=C2NC(=S)N(C=C3C(=O)Oc4ccccc4C3=O)C2=O)cc1 MOL26380
-CCOC(=O)c1sc2[n+](c1C)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)S2.[Cl-] MOL26381
-COc1cccc(C=C2SC(NNc3nc(C)c(C(C)=O)s3)=NC2=O)c1O.Cl MOL26382
-O=C(Cc1csc2[n+]1C(=O)C(=Cc1cccc([N+](=O)[O-])c1)S2)Nc1ccccc1.[Br-] MOL26383
-O=C(NC1CCCCC1)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL26384
-O=[N+]([O-])c1c(C=Nc2ccccc2)oc(-c2c(O)ccc3ccccc23)c1-c1c(O)ccc2ccccc12 MOL26385
-O=C(NCc1ccccc1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL26386
-CC(C)N(CN1C(=O)NC(=Cc2cccc(C=C3NC(=O)N(CN(C(C)C)C(C)C)C3=O)c2)C1=O)C(C)C MOL26387
-CC1=NC(=Cc2cccs2)C(=O)O1 MOL26388
-CC(=Cc1ccccc1)C=C1NC(=S)N(CN2CCCCCC2)C1=O MOL26389
-CCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL26390
-O=C1NC(=O)C(=Cc2cccc(Br)c2)N1 MOL26391
-O=C1NC(=O)C(=Cc2c(O)ccc3ccccc23)N1 MOL26392
-COc1ccccc1C=C1NC(=S)NC1=O MOL26393
-O=C1NC(=O)C(=Cc2ccc(C=C3NC(=O)NC3=O)cc2)N1 MOL26394
-O=C1NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)N1 MOL26395
-CN(N)c1cnnc(O)c1Cl MOL26396
-O=C(NCc1ccccc1)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL26397
-COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1OC MOL26398
-CCCCCCCCCCCCCCCCNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 MOL26399
-O=C1NC(=Cc2ccc(C=C3NC(=O)N(CN4CCCCC4)C3=O)cc2)C(=O)N1CN1CCCCC1 MOL26400
-CCCCCCCCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 MOL26401
-CCCCCCNC(=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1 MOL26402
-S=c1sc2ccccc2n1CN1CCCC1 MOL26403
-COc1ccc(C=C2Sc3scc(-c4ccc([N+](=O)[O-])cc4)[n+]3C2=O)cc1OC.[Br-] MOL26404
-CCOc1ccccc1C=C1NC(=O)NC1=O MOL26405
-O=C1NC(=Cc2ccccc2)C(=O)N1CN1CCCC1 MOL26406
-O=C1NC(=O)C(=Cc2cccc(O)c2)N1 MOL26407
-CCOc1ccccc1NC(=O)C(=O)C(c1ccccc1)S(=O)(=O)Cc1ccccc1 MOL26408
-CCCCCCNC(=O)C(=Cc1ccc(OC)cc1)NC(=O)c1ccccc1 MOL26409
-Br.O=C1C(=Cc2ccc(Cl)cc2)SC2SC=C(c3ccc([N+](=O)[O-])cc3)N12 MOL26410
-COc1ccc(C=C2C(=O)NC3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1.Cl MOL26411
-Cc1ccc(C=C2Sc3scc(-c4ccccc4)[n+]3C2=O)cc1.[Cl-] MOL26412
-CCCCCCNC(=O)C(=Cc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 MOL26413
-CCCCCCCCNC(=O)C(=Cc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCCCCCCCC)cc1)NC(=O)c1ccccc1 MOL26414
-Cc1ccccc1NC(=O)Cc1csc2[n+]1C(=O)C(=Cc1ccc3c(c1)OCO3)S2.[Br-] MOL26415
-O=C1C(=O)C(c2ccccc2)S(=O)(=O)C1c1ccccc1 MOL26416
-O=C1C(=Cc2cccc(O)c2)SC(=S)N1C=Cc1nc2ccccc2nc1O MOL26417
-CC(=Cc1ccccc1)C=C1SC(=S)N(C=C2C(=O)NC(=O)NC2=O)C1=O MOL26418
-O=C1C(=CC=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)C(=O)c2ccccc21 MOL26419
-S=C1SC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 MOL26420
-O=C1C(=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)C(=O)c2ccccc21 MOL26421
-CCN1C(=O)C(=C2SC(c3ccccc3)(c3ccccc3)c3ccccc32)SC1=S MOL26422
-Cc1cn(C2C=CC(O)CC2)c(=O)[nH]c1=O MOL26423
-N#Cc1c(O)cc(=O)n2c1[nH]c1ccccc12 MOL26424
-COc1cc(=O)n2c3ccccc3n(C)c2c1C#N MOL26425
-COC(=O)c1c(O)c(C#N)c2[nH]c3ccccc3n2c1=O MOL26426
-N#Cc1c(Cl)c(C=O)c(=O)n2c1[nH]c1ccccc12 MOL26427
-N#Cc1c(O)c(C=O)c(=O)n2c1[nH]c1ccccc12 MOL26428
-N#Cc1c(O)c(C=Nc2ncccn2)c(=O)n2c1[nH]c1ccccc12 MOL26429
-N#Cc1c(O)c(C=Nc2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 MOL26430
-N#Cc1c(O)c(N=Nc2ccc(Cl)cc2)c(=O)n2c1[nH]c1ccccc12 MOL26431
-COc1cccc(CCCCCCCC(=O)O)c1 MOL26432
-COc1ccc(Cl)c(CCCCCCCC(=O)O)c1 MOL26433
-COc1c(Cl)cc(Cl)c(CCCCCCCC(=O)O)c1Cl MOL26434
-O=C(O)CCCCCCCc1cc(O)ccc1[N+](=O)[O-] MOL26435
-COc1ccc(Br)c(CCCCCCCC(=O)O)c1 MOL26436
-O=C(O)CCCCCCCc1cccc(OCCO)c1 MOL26437
-O=C(O)CCCCCCCc1cccc(OCCOCCO)c1 MOL26438
-C=C1C2CCC3C4(C)CCCC(C)(C(=O)OC)C4CCC3(C2)C1OC(C)=O MOL26439
-CC(=O)OC1C(C)(O)C2CCC3C4(C)CCCC(C)(C)C4CCC13C2 MOL26440
-COC1(C)CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1C3 MOL26441
-COC1=CC(=O)C2C=C3C(CO)=CCC(O)C3(C)CC2C1=O MOL26442
-CN=c1sc2c(n1C)C(=O)c1ccccc1C2=O MOL26443
-Br.NC(=O)C(=CNc1nc(-c2ccc(Br)cc2)cs1)C(N)=O MOL26444
-COC(=O)C(=O)C(=CNC(=S)NC1CCCCC1)C(=O)c1ccc(F)cc1 MOL26445
-O=C1NC(=O)C(=CN2C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)SC2=S)C(=O)N1 MOL26446
-COc1ccc(NC(=O)C(=CN2C(=O)C(=Cc3ccc(OC)c(OC)c3)NC2=S)C(C)=O)cc1 MOL26447
-O=C1NC(=O)C(=CNC(=S)NCc2ccccc2)C(=O)N1 MOL26448
-CC1=CC(=O)C(=CNC(=S)c2cccnc2)C(=O)O1 MOL26449
-COC(=O)C(C#N)=CN1CCNC1=S MOL26450
-Cl.NC(=O)C(=CNc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C(N)=O MOL26451
-COC(=O)C(C#N)=Cn1ccc(=O)[nH]c1=S MOL26452
-CCOC(=O)C(=CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)C(=O)c1ccccc1 MOL26453
-CC(=Cc1ccccc1)C=C1C(=O)NC(=S)N1C=C1C(=O)NC(=O)NC1=O MOL26454
-CC(=O)Nc1ccc(C=C2C(=O)NC(=S)N2C=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1 MOL26455
-COC(=O)C(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)c1ccc([N+](=O)[O-])cc1 MOL26456
-N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1ccc([N+](=O)[O-])cc1 MOL26457
-COc1cccc(C=C2SC(=S)N(C=C(C(C)=O)C(=O)NCC(=O)O)C2=O)c1O MOL26458
-C=CCn1c(=S)[nH]c2c(Cl)cc(Cl)cc2c1=O MOL26459
-COC(=O)C(=O)C(=CNC(=S)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])cc1 MOL26460
-NC(=S)NC=C(c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1ccc(Cl)cc1Cl MOL26461
-CC1=CC(=O)C(=Cn2c(=S)sc3ccccc32)C(=O)O1 MOL26462
-O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3)S(=O)(=O)Cc3ccc(Cl)cc3)c2c1 MOL26463
-Cc1noc(NS(=O)(=O)c2ccc(NC(=S)NC=C3C(=O)NC(=O)NC3=O)cc2)c1C MOL26464
-O=C1CN(C=C2C(=O)NC(=O)NC2=O)C(=S)N1 MOL26465
-COc1cccc(C=C2Sc3sc(C(C)=O)c(C)[n+]3C2=O)c1O.[Cl-] MOL26466
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)C(=Cc2cccc(O)c2)SC1=S MOL26467
-CC(=S)NC=C(c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1ccc(Cl)cc1Cl MOL26468
-O=C1CN(C=C(c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)C(=S)N1 MOL26469
-CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C#N)S(=O)(=O)c3ccc(C)cc3)C2=O)cc1 MOL26470
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)C(=Cc2cccc(OC)c2O)SC1=S MOL26471
-O=C1Oc2ccccc2C(=O)C1=CN1C(=O)NC(=Cc2ccccc2Br)C1=O MOL26472
-COc1cccc(C=C2SC(NNc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)=NC2=O)c1O MOL26473
-COC(=O)C(C#N)=CNC(=S)NNC(C)=O MOL26474
-CC(=O)Nc1ccc(C=C2SC(=S)N(C=C3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1 MOL26475
-CC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)Nc1ccccc1 MOL26476
-Oc1nc2ccccc2nc1C=Cn1c(=S)[nH]c2ccccc21 MOL26477
-NC(=S)NC=Cc1nc2ccccc2nc1O MOL26478
-Oc1nc2ccccc2nc1C=CNC(=S)Nc1ccccc1 MOL26479
-CC(=S)NC=Cc1nc2ccccc2nc1O MOL26480
-COc1ccc(CCNC(=S)NC=Cc2nc3ccccc3nc2O)cc1OC MOL26481
-CC(=O)NNC(=S)NC=Cc1nc2ccccc2nc1O MOL26482
-Cc1ccc(S(=O)(=O)C(C#N)=CN2CCNC2=S)cc1 MOL26483
-Oc1nc2ccccc2nc1C=CNC(=S)Nc1cc(Cl)ccc1Cl MOL26484
-Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)NN=C2C(=O)Nc3ccccc32)cc1 MOL26485
-Cc1ccc(S(=O)(=O)C(C#N)=CN2CC(=O)NC2=S)cc1 MOL26486
-O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccccc3)S(=O)Cc3ccccc3)c2c1 MOL26487
-O=c1ccn(C=Cc2nc3ccccc3nc2O)c(=S)[nH]1 MOL26488
-COc1cc(C2c3[nH]c4ccc(F)cc4c3CC3COC(=O)N32)cc(OC)c1O MOL26489
-O=C(CC(=O)Nc1ccccc1)NN=Cc1cc(N=Nc2ccc(Br)cc2)ccc1O MOL26490
-O=C(CC(=O)Nc1ccccc1Cl)NNC(c1cc(N=Nc2ccc(Br)cc2)ccc1O)P(O)O MOL26491
-Cc1ccccc1NC(=O)CC(=O)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O MOL26492
-O=C(CC(=O)Nc1ccccc1Cl)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O MOL26493
-O=C(CC(=O)Nc1ccccc1)NNC(Sc1ccccc1)c1cc(N=Nc2ccc(Br)cc2)ccc1O MOL26494
-COc1ccc(NC(=O)CC(=O)NNC(Sc2ccccc2)c2cc(N=Nc3ccc(Br)cc3)ccc2O)cc1 MOL26495
-CCOc1ccc(N=Nc2ccc3cc(C(C)=NNC(=O)C(C#N)=Cc4ccc(N(CCC#N)CCC#N)cc4)c(=O)oc3c2)cc1 MOL26496
-CCOC(=O)C(C#N)=Cc1ccc(N(CCC(=O)O)CCC(=O)O)c(I)c1 MOL26497
-CC(=NNC(=O)C(C#N)=Cc1ccc(N(CCC#N)CCC#N)cc1)c1ccccc1 MOL26498
-O=C(CC(=O)Nc1ccccc1)NNC(c1cc(N=Nc2ccc(Br)cc2)ccc1O)P(O)O MOL26499
-N#CC(=CN1CC(=O)NC1=S)C(N)=O MOL26500
-Cc1noc(NS(=O)(=O)c2ccc(NC(=S)NC=C(C#N)C(N)=O)cc2)c1C MOL26501
-CCOC(=O)C(=Cn1c(=O)[nH]c(=O)[nH]c1=S)C(=O)c1ccccc1 MOL26502
-COC(=O)C(=O)C(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1c(C)[nH]c2ccccc12 MOL26503
-NC(=O)C(=CN1C(=O)C(=Cc2cccc(O)c2)SC1=S)C(N)=O MOL26504
-COc1cc(C=C2SC(=S)N(C=C3C(=O)C=C(C)OC3=O)C2=O)cc(OC)c1OC MOL26505
-COc1ccc(C=C2SC(=S)N(C=C3C(=O)N(c4ccccc4)N=C3C)C2=O)cc1OC MOL26506
-CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(c3ccccc3)S(=O)Cc3ccccc3)C2=O)cc1 MOL26507
-COc1cc(C=C2SC(=S)N(C=C3C(=O)NC(=O)NC3=O)C2=O)cc(OC)c1OC MOL26508
-O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccc(Cl)cc3Cl)S(=O)(=O)Cc3ccc(Cl)cc3Cl)c2c1 MOL26509
-COC(=O)C(C#N)=Cn1c(=S)[nH]c2ccccc21 MOL26510
-O=C1NC(=O)C(=Cn2c(=S)sc3ccccc32)C(=O)N1 MOL26511
-COC(=O)C(=O)C(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)c1c(C)[nH]c2ccccc12 MOL26512
-N#CC(=CN1C(=O)CC(=O)NC1=S)c1cccc(Cl)c1 MOL26513
-COc1cccc(C=C2SC(=S)N(C=C(C#N)C(N)=O)C2=O)c1O MOL26514
-CCCCOC(=O)C(=O)C(=CN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S)C(=O)C=C(C)C MOL26515
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=S)NC(=O)C1=Cc1cccc([N+](=O)[O-])c1 MOL26516
-NC(=O)C(=CN1C(=O)C(=Cc2ccccc2O)SC1=S)C(N)=O MOL26517
-Cc1cccc(C)c1NC(=S)NC=C1C(=O)NC(=O)NC1=O MOL26518
-COc1ccccc1NC(=S)NC=C1C(=O)NC(=O)NC1=O MOL26519
-CC1=CC(=O)C(=CN2C(=S)NC(=O)C2=Cc2cccc([N+](=O)[O-])c2)C(=O)O1 MOL26520
-O=C1CC(=O)N(C=C2C(=O)NC(=O)NC2=O)C(=S)N1 MOL26521
-CCOC(=O)C1=C(C)OC(=O)C2(OC)C=C(Cl)C12C MOL26522
-COC(=O)C12CCC1(C(=O)OC)C1(C)OC(=O)C=C(C)C12 MOL26523
-Cc1cc2oc(=O)cc(C)c2c(=O)o1 MOL26524
-Cc1ccc(NC(=S)NC=C2C(=O)NC(=O)NC2=O)c(C)c1 MOL26525
-NC(=S)C(=S)NC=C(c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 MOL26526
-CCCCCCCCCCCCCCCCNC(=S)NC=C(C#N)C(=O)OC MOL26527
-NC(=O)C(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O MOL26528
-Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 MOL26529
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S MOL26530
-N#CC(=CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)c1nc2ccccc2s1 MOL26531
-N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 MOL26532
-CCCCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)C=C(C)C MOL26533
-COC(=O)C(C#N)=CNC(=S)Nc1ccccc1 MOL26534
-CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccccc1 MOL26535
-CC1=NN(c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccccc21 MOL26536
-Cc1ccc2c(c1)[nH]c(=S)n2C=C(C#N)c1ccc([N+](=O)[O-])cc1 MOL26537
-CCOC(=O)C(=CN1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S)C(=O)c1ccccc1 MOL26538
-COc1ccc(C=C2SC(=S)N(C=Cc3nc4ccccc4nc3O)C2=O)cc1OC MOL26539
-CC(=O)NNC(=S)NC=C1C(=O)NC(=O)NC1=O MOL26540
-COc1ccc(NC(=O)C(=CN2C(=O)C(=CC(C)=Cc3ccccc3)SC2=S)C(C)=O)cc1 MOL26541
-O=C1NC(=O)C(CN2C(=O)C(=Cc3cccc(O)c3)SC2=S)C(=O)N1 MOL26542
-CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C#N)C#N)C2=O)cc1 MOL26543
-Cl.NC(=O)C(=CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(N)=O MOL26544
-COc1cc(C=C2SC(=S)N(C=C(C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc(OC)c1OC MOL26545
-CCOC(=O)C(=CN1CC(=CC(C)=Cc2ccccc2)SC1=S)C(=O)OCC MOL26546
-N#CC(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)C(N)=O MOL26547
-COc1cc(C=C2SC(=S)N(C=Cc3nc4ccccc4nc3O)C2=O)cc(OC)c1OC MOL26548
-COc1ccc(C=C2SC(=S)N(C=C3C(=O)NC(=S)NC3=O)C2=O)cc1OC MOL26549
-COC(=O)C(C#N)=CNC(=S)C(N)=S MOL26550
-CC(=O)NNC(=S)NC=C(C(=O)c1ccccc1)C(=O)c1ccccc1 MOL26551
-O=C(C1=CC=CCC1)C(=CNC(=S)c1ccncc1)C(=O)c1ccccc1 MOL26552
-Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccc(C)cc2C)cc1 MOL26553
-COc1ccc(CCNC(=S)NC=C(C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC MOL26554
-N#CC(=CNC(=S)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2ccccc2c1 MOL26555
-CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(C(=O)c1ccccc1)C(=O)c1ccccc1 MOL26556
-C=CNC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1 MOL26557
-Cc1noc(NS(=O)(=O)c2ccc(NC(=S)NC=C(C(=O)c3ccccc3)C(=O)c3ccccc3)cc2)c1C MOL26558
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL26559
-O=S(Cc1ccccc1)C(=CNC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1 MOL26560
-COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(C)=O MOL26561
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(N)=S MOL26562
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NN=C1C(=O)Nc2ccccc21 MOL26563
-CC(=S)NC=C(C#N)c1nc2ccccc2s1 MOL26564
-N#CC(=CNC(=S)c1ccncc1)c1nc2ccccc2s1 MOL26565
-N#CC(=CN1CC(=O)NC1=S)c1nc2ccccc2s1 MOL26566
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NNC(C)=O MOL26567
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(C)=S MOL26568
-N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S MOL26569
-CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccccc1 MOL26570
-N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)NC1CCCCC1 MOL26571
-Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2cc(Cl)ccc2Cl)cc1 MOL26572
-N#CC(=CNC(N)=S)c1nc2ccccc2s1 MOL26573
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CCNC1=S MOL26574
-N#CC(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2ccccc2c1 MOL26575
-O=C(C(=CNC(=S)NCc1ccccc1)C(=O)c1ccccc1)c1ccccc1 MOL26576
-O=C1CN(C=C(c2ccccc2)S(=O)Cc2ccccc2)C(=S)N1 MOL26577
-Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccccc2)cc1 MOL26578
-CC(=S)NC=C1C(=N)NN(c2ccccc2)C1=O MOL26579
-COc1ccccc1NC(=S)NC=C(C#N)c1nc2ccccc2s1 MOL26580
-N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc2ccccc2c1 MOL26581
-Cc1ccc(NC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)c(C)c1 MOL26582
-N=C1NN(c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccccc21 MOL26583
-COc1ccccc1NC(=O)C(=CC1CC(=O)NC1=S)C(C)=O MOL26584
-CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccccc1 MOL26585
-COc1ccccc1NC(=O)C(=CNC(=S)c1ccncc1)C(C)=O MOL26586
-CCc1cccc(CC)c1NC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1 MOL26587
-COc1ccccc1NC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(C)=O MOL26588
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S MOL26589
-N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)C(=O)c1ccc2ccccc2c1 MOL26590
-CCc1cccc(CC)c1NC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1 MOL26591
-O=C1CN(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=S)N1 MOL26592
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1c(CC)cccc1CC MOL26593
-CCOC(=O)C1N=[N+](c2ccccc2)C(=O)C1=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21 MOL26594
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S MOL26595
-COc1ccc(NC(=O)C(=Cn2c(=S)[nH]c3cc(C)ccc32)C(C)=O)cc1 MOL26596
-N#CC(=CNC(=S)C(N)=S)C(=O)c1ccc2ccccc2c1 MOL26597
-Cc1ccc2c(c1)[nH]c(=S)n2C=C(c1ccccc1)S(=O)Cc1ccccc1 MOL26598
-CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccccc1 MOL26599
-CCOC(=O)C(=O)C(=CN1CCNC1=S)C(=O)OCC MOL26600
-N#CC(=CNC(N)=S)C(=O)c1ccc2ccccc2c1 MOL26601
-CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1 MOL26602
-N#CC(=CN1CCNC1=S)C(=O)c1ccc2ccccc2c1 MOL26603
-COc1ccccc1NC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1 MOL26604
-CC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1 MOL26605
-N#CC(=CN1CC(=O)NC1=S)C(=O)c1ccc2ccccc2c1 MOL26606
-c1ccc2c(c1)CCc1[nH]c3c(c1-2)-c1ccccc1CC3 MOL26607
-NC(=O)NN=C1Cc2ccccc2C1 MOL26608
-NC(=S)NN=C1Cc2ccccc2C1 MOL26609
-CC(C)C(C=Cc1ccc(Cl)cc1)=NNC(=O)NN=C(C=Cc1ccc(Cl)cc1)C(C)C MOL26610
-CC(C)C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(=O)NN=C(C=Cc1ccc(Cl)c(Cl)c1)C(C)C MOL26611
-COc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(OC)cc2)C(C)C)C(C)C)cc1 MOL26612
-Cl.O=C(C=Cc1ccccc1)CCN1CCCCC1 MOL26613
-C[N+](C)(C)CC1CCCCCCCCCCC1=O.[I-] MOL26614
-O=C(Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)OCc1ccccc1.[NaH] MOL26615
-Cl.Nc1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1 MOL26616
-Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL26617
-O=C(c1ccco1)N(Cc1ccco1)C(=S)Nc1ccccc1 MOL26618
-O=C1c2cccnc2-c2nccc3c2c1nc1cc(Br)ccc13 MOL26619
-Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O MOL26620
-CC(C)c1cc2c(cc1S(=O)(=O)O)C1(C)CCCC(C)(C(=O)O)C1CC2 MOL26621
-Oc1ccccc1C1C=C(c2ccccc2)NC(N2CCCCC2)=C1c1nc2ccccc2[nH]1 MOL26622
-COCOC1C=CCCCc2cc(C)c(o2)CC1 MOL26623
-C=CCNC(=S)NC=C(C(C)=O)C(=O)Nc1ccccc1 MOL26624
-COc1ccccc1NC(=O)C(=Cn1c(=S)sc2ccccc21)C(C)=O MOL26625
-COc1ccc(NC(=O)C(=CNC(=S)NNC(C)=O)C(C)=O)cc1 MOL26626
-Cc1ccc(S(=O)(=O)C(C#N)=Cn2ccc(=O)[nH]c2=S)cc1 MOL26627
-COc1ccccc1NC(=O)C(=CNC(=S)NNC(C)=O)C(C)=O MOL26628
-CC(=O)C(=CNC(N)=S)C(=O)Nc1ccccc1 MOL26629
-O=C(C(=CNC(=S)Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1 MOL26630
-COc1ccc(CCNC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1OC MOL26631
-Cc1ccc(S(=O)(=O)C(C#N)=CNS(=S)c2ccncc2)cc1 MOL26632
-C=CCNC(=S)NC=C(C(C)=O)C(=O)Nc1ccccc1OC MOL26633
-Cc1ccc(S(=O)(=O)C(C#N)=CNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 MOL26634
-CCc1cccc(C(C)(C)C)c1NC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1 MOL26635
-N#CC(=CNC(=S)NN=C1C(=O)Nc2ccccc21)c1nc2ccccc2s1 MOL26636
-NS(=O)(=O)c1ccc(NC(=S)NC=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 MOL26637
-CC1=NN(c2ccccc2)C(=O)C1=CNC(=S)C(N)=S MOL26638
-CC1=NN(c2ccccc2)C(=O)C1=CN1CC(=O)NC1=S MOL26639
-COc1ccccc1NC(=O)C(=CNC(=S)NCCNc1ccc(OC)c(OC)c1)C(C)=O MOL26640
-CC(=O)C(=CNC(=S)c1ccncc1)C(=O)Nc1ccccc1 MOL26641
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccccc1OC MOL26642
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1ccc(=O)[nH]c1=S MOL26643
-C=CCNC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C(=O)OCC MOL26644
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NCc1ccccc1 MOL26645
-N#CC(=Cn1c(=S)sc2ccccc21)c1nc2ccccc2s1 MOL26646
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccc(Cl)cc1Cl MOL26647
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)Nc1ccccc1 MOL26648
-CC(=O)NNC(=S)NC=C(C#N)c1nc2ccccc2s1 MOL26649
-N#CC(=Cn1c(=S)[nH]c2ccccc21)c1nc2ccccc2s1 MOL26650
-N#CC(=CNC(=S)NCc1ccccc1)c1nc2ccccc2s1 MOL26651
-N=C1NN(c2ccccc2)C(=O)C1=CNC(=S)NN=C1C(=O)Nc2ccccc21 MOL26652
-CC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C MOL26653
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)c1cccnc1 MOL26654
-N#CC(=CNC(=S)Nc1ccccc1Cl)C(=O)c1ccc2ccccc2c1 MOL26655
-COc1ccc(NC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(C)=O)cc1 MOL26656
-N#CC(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2s1 MOL26657
-N#CC(=CN1CCNC1=S)c1nc2ccccc2s1 MOL26658
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CNC(=S)NCCc1ccc(OC)c(OC)c1 MOL26659
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1c(=S)sc2ccccc21 MOL26660
-CC(=O)NNC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1 MOL26661
-O=C1Nc2ccccc2C1=NNC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1 MOL26662
-COc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12 MOL26663
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O MOL26664
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCBr)O2)c(=O)[nH]c1=O MOL26665
-COCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26666
-C=C(C)CNC(=S)N(N)c1ccc2ccccc2c1 MOL26667
-C=C(C)CNC(=S)N(N)c1ccc(OC)cc1 MOL26668
-Cc1cnc(N=c2sc(C)cn2-c2ncc(C)s2)s1 MOL26669
-COC(=O)C1(NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(C)=O)CCCC1 MOL26670
-CNC1c2ccccc2C(=O)c2cc3c(cc21)OCCOCCOCCOCCO3 MOL26671
-CN(C)C12C=CC=CC3=C(c4ccccc4)C(c4ccccc4)=C(c4ccccc4)C31c1ccccc1C2 MOL26672
-COc1ccc(-c2oc3cc(-c4cc5oc(-c6ccc(OC)cc6)c(-c6ccc(OC)cc6)c5cc4OC)c(OC)cc3c2-c2ccc(OC)cc2)cc1 MOL26673
-CC(C)=CCS(=O)c1ccccc1NC1=CC(=O)CC(C)(C)C1 MOL26674
-CCCCCCCCCCCCCC=C(COCC[N+](C)(C)C)OC(C)=O.CCCCCCCCCCCCCCC(=COCC[N+](C)(C)C)OC(C)=O.[I-].[I-] MOL26675
-C=C1C(=O)OC2C=C(C)CCC=C(C)CC(OC(=O)C(=CCO)CO)C12 MOL26676
-C=C1C(=O)OC2C1CCC(C)=C1C(=O)C3OC3(C)C12 MOL26677
-C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(C)C12 MOL26678
-CCOC(=O)C(NC(C)=O)C(c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL26679
-CCOC(=O)C(NC(=O)c1ccccc1)C(c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL26680
-CCOC(=O)C(NC(C)=O)C(c1ccccc1)[Sn](Cl)(c1ccccc1)c1ccccc1 MOL26681
-CCOC(=O)C(NC(C)=O)C(c1ccc(OC)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL26682
-CCOC(=O)C(NC(=O)c1ccccc1)C(c1ccc(OC)cc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL26683
-CCOC(=O)C(NC(=O)c1ccccc1)C(C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 MOL26684
-COP(=N[Si](C)(C)C)(OC)OC MOL26685
-COP(=O)(OC)N(C)[Si](C)(C)C MOL26686
-COC(=O)C1Cc2ccc(O)c(O)c2CN1.Cl MOL26687
-N#CC(=Cn1ccc(=O)[nH]c1=S)c1nc2ccccc2s1 MOL26688
-CC(=O)C(=CN1CC(=O)NC1=S)C(=O)Nc1ccccc1 MOL26689
-N#CC(=CNC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(=O)c1ccc2ccccc2c1 MOL26690
-C=CCNC(=S)NC=C(C#N)c1nc2ccccc2s1 MOL26691
-COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(C)=O MOL26692
-Cc1ccc(S(=O)(=O)C(C#N)=Cn2c(=S)[nH]c3ccc([N+](=O)[O-])cc32)cc1 MOL26693
-Oc1nc2ccccc2nc1C=CNC(=S)NCc1ccccc1 MOL26694
-COc1ccccc1NC(=O)C(=CNC(N)=S)C(C)=O MOL26695
-COc1ccccc1NC(=O)C(=CN1CCNC1=S)C(C)=O MOL26696
-CC(=O)C(=CNC(=S)C(N)=S)C(=O)Nc1ccccc1 MOL26697
-N#CC(=CNC(=S)NC1CCCCC1)c1nc2ccccc2s1 MOL26698
-O=C(C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccccc1)c1ccccc1 MOL26699
-C=CCNC(=S)NC=C(c1ccccc1)S(=O)Cc1ccccc1 MOL26700
-N#CC(=CNC(=S)C(N)=S)c1nc2ccccc2s1 MOL26701
-COc1ccccc1NC(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(C)=O MOL26702
-O=S(Cc1ccccc1)C(=CNC(=S)Nc1ccccc1)c1ccccc1 MOL26703
-N#CC(=Cn1ccc(=O)[nH]c1=S)C(=O)c1ccc2ccccc2c1 MOL26704
-NC(=S)C(=S)NC=Cc1nc2ccccc2nc1O MOL26705
-COc1ccccc1NC(=S)NC=C(C#N)C(=O)c1ccc2ccccc2c1 MOL26706
-O=C(C(=Cn1c(=O)cc[nH]c1=S)C(=O)c1ccccc1)c1ccccc1 MOL26707
-CC(=O)NNC(=S)NC=C(C#N)S(=O)(=O)c1ccc(C)cc1 MOL26708
-N#CC(=CNC(=S)Nc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 MOL26709
-O=C(C(=CNC(=S)NC1C(=O)Nc2ccccc21)C(=O)c1ccccc1)c1ccccc1 MOL26710
-CC(=O)C(=CNC(N)=S)C(C)=O MOL26711
-O=C1NC(=O)C(=CNC(=S)Nc2ccccc2)C(=O)N1 MOL26712
-C=CCNC(=S)NC=C1C(=O)NC(=O)NC1=O MOL26713
-O=C1NC(=O)C(=CNC(=S)NN=C2C(=O)Nc3ccccc32)C(=O)N1 MOL26714
-CCOC1=C=C=C(NC=C2SC(=S)NC2=O)C=C1 MOL26715
-O=C(OCc1ccccc1)C(c1ccccc1)=[N+]1C(=S)Nc2ccc([N+](=O)[O-])cc21 MOL26716
-CC(=O)C(=CN1CC(=O)NC1=S)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26717
-C=CCNC(=S)NC=Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] MOL26718
-CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26719
-CC(=O)NNC(=S)NC=C(C(C)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26720
-CC(=O)NNC(=S)NC=C(C(=O)c1ccccc1)c1ccccc1 MOL26721
-CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26722
-C=CCNC(=S)NC=C(C(C)=O)C(=O)Nc1ccc(Cl)cc1 MOL26723
-CC(=O)C(=Cn1c(=S)sc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26724
-CC(=O)C(=CN1CCNC1=S)C(=O)Nc1ccc(Cl)cc1 MOL26725
-CC(=O)C(=CNC(=S)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 MOL26726
-CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26727
-CC(=O)C(=CNC(N)=S)C(=O)Nc1ccc(Cl)cc1 MOL26728
-CC(=S)NC=Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] MOL26729
-CC(=O)NNC(=S)NC=C(C(C)=O)C(=O)Nc1ccc(Cl)cc1 MOL26730
-CC(=O)C(=Cn1ccc(=O)[nH]c1=S)C(=O)Nc1ccc(Cl)cc1 MOL26731
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)ccc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)ccc1O.[NaH] MOL26732
-CC(=O)C(=Cn1c(=S)[nH]c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL26733
-CC(=O)NNC(=S)NC=Cc1c(C)ccc([N+](=O)[O-])c1[N+](=O)[O-] MOL26734
-C=CCNC(=S)NC=C(C(=O)c1ccccc1)c1ccccc1 MOL26735
-O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21 MOL26736
-CC(=O)C(=Cn1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)Nc1ccc(Cl)cc1 MOL26737
-CC1=CC(=O)C(=CNC(=S)Nc2cc(Cl)ccc2Cl)C(=O)O1 MOL26738
-CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=CN1C(=O)CC(=O)NC1=S MOL26739
-O=C1NC(=O)C(=CNC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1 MOL26740
-CCCCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)C=C(C)C MOL26741
-COc1ccc(C=C2SC(=S)N(C=C(C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC MOL26742
-CCCCOC(=O)C(=O)C(=CNC(=S)c1cccnc1)C(=O)C=C(C)C MOL26743
-CC1=CC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(=O)O1 MOL26744
-C=CCNC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C MOL26745
-O=C1NC(=O)C(=CN2C(=O)C(=Cc3ccc(O)cc3)SC2=S)C(=O)N1 MOL26746
-CCOC(=O)CC(=O)C(=CNC(=S)NNC(C)=O)C(=O)OCC MOL26747
-CC1=CC(=O)C(=CN2C(=O)C(=Cc3cccc(O)c3)SC2=S)C(=O)O1 MOL26748
-NS(=O)(=O)c1ccc(NC(=S)NC=C2C(=O)NC(=O)NC2=O)cc1 MOL26749
-N#CC(=CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S)c1nc2ccccc2s1 MOL26750
-O=C1NC(=O)C(=CNC(=S)Nc2cc(Cl)ccc2Cl)C(=O)N1 MOL26751
-CC(=O)Nc1ccc(C=C2SC(=S)N(C=C(C(C)=O)C(N)=O)C2=O)cc1 MOL26752
-Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)NC(=O)NC1=O MOL26753
-COc1ccccc1NC(=O)C(=CN1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1=S)C(C)=O MOL26754
-CC(=S)NC=C1C(=O)NC(=O)NC1=O MOL26755
-CC1CCC2C(C(=O)OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12 MOL26756
-CC1CCC2C(C(=O)OC3C4CCOC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)=COC(OC3OC(CO)C(O)C(O)C3O)C12 MOL26757
-Cc1oc2ccccc2c(=O)c1C MOL26758
-Cc1cc(=O)c2ccccc2o1 MOL26759
-C=CCNC(=S)NC=C(C#N)C(=O)OC MOL26760
-CC1=CC(=O)C(=CNC(=S)Nc2cccc(C)c2C)C(=O)O1 MOL26761
-COc1ccccc1NC(=S)NC=C1C(=O)C=C(C)OC1=O MOL26762
-NC(=S)NC=C1C(=O)CCCC1=O MOL26763
-CC(=O)C(=CNC(N)=S)C(N)=O MOL26764
-CCCCNC(=S)NC=C1C(=O)C=C(C)OC1=O MOL26765
-Cc1ccc(NC(=S)NC=C(c2ccccc2)S(=O)Cc2ccccc2)c(C)c1 MOL26766
-O=S(Cc1ccccc1)C(=Cn1c(=S)[nH]c2ccccc21)c1ccccc1 MOL26767
-CC1=NN(c2ccccc2)C(=O)C1=CNC(N)=S MOL26768
-CC(=O)NNC(=S)NC=C(C(C)=O)C(=O)Nc1ccccc1 MOL26769
-O=C(NC=C(c1ccccc1)S(=O)Cc1ccccc1)Nc1ccccc1Cl MOL26770
-O=c1ccn(C=C(c2ccccc2)S(=O)Cc2ccccc2)c(=S)[nH]1 MOL26771
-CC(=O)C(=Cn1c(=S)sc2ccccc21)C(=O)Nc1ccccc1 MOL26772
-COc1ccccc1NC(=O)C(=CNC(=S)C(N)=S)C(C)=O MOL26773
-CC(=O)NNC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C MOL26774
-CCOc1ccc(NC(=S)NC=C2C(=O)C=C(C)OC2=O)cc1 MOL26775
-CCOC(=O)C(=O)C(=Cn1c(=S)[nH]c2cc(C)ccc21)C(=O)OCC MOL26776
-CCOC(=O)C(=Cc1ccc(CO)o1)P(=O)(OCC)OCC MOL26777
-CCOC(=O)C(=Cc1ccnc2ccccc12)P(=O)(OCC)OCC MOL26778
-O=C1C(=Cc2ccco2)C(=O)C2CCCCC12 MOL26779
-COC(=O)C(=Cc1ccco1)P(=O)(OC)OC MOL26780
-COC(=O)C(=C(C)c1ccco1)P(=O)(OC)OC MOL26781
-CC(C)OP(=O)(OC(C)C)C(C#N)=Cc1ccco1 MOL26782
-CCOP(=O)(OCC)c1cc2cc(O)ccc2oc1=O MOL26783
-CCOP(=O)(OCC)C(C#N)=Cc1c[nH]c2ccccc12 MOL26784
-CCOC(=O)C(=Cc1c[nH]c2ccccc12)P(=O)(OCC)OCC MOL26785
-CCOP(=O)(OCC)C(C#N)=Cc1c(C)[nH]c2ccccc12 MOL26786
-CCOC(=O)C(C#N)=Cc1ccc(CO)o1 MOL26787
-CCOC(=O)C(=Cc1c(C)[nH]c2ccccc12)P(=O)(OCC)OCC MOL26788
-CCOP(=O)(OCC)C(C#N)=Cc1ccccn1 MOL26789
-CC(C)OP(=O)(OC(C)C)C(C#N)=Cc1c[nH]c2ccccc12 MOL26790
-CCCCOP(=O)(OCCCC)C(C#N)=Cc1ccc(C)o1 MOL26791
-CCOC(=O)C(C#N)=Cc1ccnc2ccccc12 MOL26792
-CCOP(=O)(OCC)C(C#N)=Cc1ccnc2ccccc12 MOL26793
-CCOP(=O)(OCC)C(C#N)=Cc1cccn1C MOL26794
-CCOC(=O)C(C#N)=Cc1c[nH]c2ccccc12 MOL26795
-O=C1C(=Cc2c[nH]c3ccccc23)C(=O)c2ccccc21 MOL26796
-COC(=O)C(C#N)=Cc1ccco1 MOL26797
-N#CC(=Cc1ccco1)C(N)=O MOL26798
-NC(CS)C(=O)NCCNCCNc1ccc(NCCNCCNC(=O)C(N)CS)c2c1C(=O)c1c(O)ccc(O)c1C2=O MOL26799
-COc1ccc(C2CC(=O)Oc3ccccc3O2)cc1 MOL26800
-CC(=N)NOCc1nc(C)no1 MOL26801
-COC(=O)c1ccc(C=C2Cc3ccccc3C2=O)cc1 MOL26802
-N#Cc1ccc(C=C2Cc3ccccc3C2=O)cc1 MOL26803
-COC(=O)c1ccc(C=C2CCc3ccccc3C2=O)cc1 MOL26804
-C1=C(c2ccccc2)C(N2CCOCC2)Oc2ccccc21 MOL26805
-CC1(C)C(O)c2ccccc2OC1N1CCN(C2Oc3ccccc3C(O)C2(C)C)CC1 MOL26806
-CC1(C)C(=O)c2ccccc2OC1N1CCN(C2Oc3ccccc3C(=O)C2(C)C)CC1 MOL26807
-Cc1cn(C2CC(N)C(C(=O)NCC(=O)O)O2)c(=O)[nH]c1=O MOL26808
-CC(C)C1CCC2(C)CC3C(CO)CC(O)C3C(C)(O)CC=C12 MOL26809
-CCOC1SC(SC)=NN1C(=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)N1N=C(SC)SC1OCC MOL26810
-CSC1=NN(C(C)=O)C(C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)S1 MOL26811
-O=c1ccn(CC2COC(CP(=O)(O)O)O2)c(=O)[nH]1.[NaH] MOL26812
-O=c1ccn(CC2COC(CP(=O)(O)O)O2)c(=O)[nH]1.[NaH] MOL26813
-N.Nc1ncnc2c1ncn2C1OC(CCP(=O)(O)O)C(O)C1O MOL26814
-N.Nc1ncnc2c1ncn2C(CO)OC(CO)CCP(=O)(O)O MOL26815
-Cc1cn(C(CO)OC(CO)CP(=O)(O)O)c(=O)[nH]c1=O.[NaH] MOL26816
-N.O=c1ccn(C(CO)OC(CO)CCP(=O)(O)O)c(=O)[nH]1 MOL26817
-COc1cccc(C=CC(=O)c2ccccc2)c1O MOL26818
-CCOc1ccc(C=CC(=O)c2ccccc2)cc1 MOL26819
-NNc1c(Cl)c(=O)n(-c2ccccc2)[nH]c1=O MOL26820
-Oc1nncc(NN=C(C=Cc2ccc(CC(=NNc3cnnc(O)c3Cl)c3ccccc3)cc2)c2ccccc2)c1Cl MOL26821
-Nc1ccccc1N1C(=O)C(Cl)=C(Cl)C1=O MOL26822
-Nc1cc([N+](=O)[O-])ccc1N1C(=O)CCCC1=O MOL26823
-Nc1cc(Cl)ccc1N1C(=O)CCC1=O MOL26824
-Nc1cc(Cl)ccc1N1C(=O)C=CC1=O MOL26825
-CC(=Cc1ccccc1)C(O)C(=O)c1nc2ccc([N+](=O)[O-])cc2nc1O MOL26826
-O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)C(O)c1ccc([N+](=O)[O-])cc1 MOL26827
-COc1ccc(C(O)C(=O)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 MOL26828
-O=C(c1nc2cc([N+](=O)[O-])ccc2nc1O)C(O)c1ccco1 MOL26829
-COc1ccc(C(O)C(=O)c2nc3ccc(Cl)cc3nc2O)cc1 MOL26830
-CC1(C(=O)O)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4 MOL26831
-CC1OC(OCC2OC(Oc3ccc(C4CC(=O)c5c(O)cc(O)cc5O4)cc3O)C(O)C(O)C2O)C(O)C(O)C1O MOL26832
-CC(C)C=Cc1cc(C=CC(=O)c2cc(C=CC(C)C)c(O)cc2O)ccc1O MOL26833
-N.O=C(O)c1cc(C(=C(c2cc(Cl)c(O)c(C(=O)O)c2)c2cc(Cl)c(O)c(C(=O)O)c2)c2cc(Cl)c(O)c(C(=O)O)c2)cc(Cl)c1O MOL26834
-[Cl-].c1cc(C[S+]2CCCC2)sc1C[S+]1CCCC1 MOL26835
-[Cl-].c1cc(C[S+]2CCCC2)ccc1C[S+]1CCCC1 MOL26836
-[Cl-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1 MOL26837
-[Cl-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)s2)(c2ccccc2)c2ccccc2)cc1 MOL26838
-[Br-].c1cc(C[S+]2CCCC2)oc1C[S+]1CCCC1 MOL26839
-O=C1NC(O)c2cc3ccccc3cc2O1 MOL26840
-CCOC1NC(=O)c2ccccc21 MOL26841
-N#Cc1c(Cl)cc(C#N)n2c1nc1ccccc12 MOL26842
-CSc1nc(C)c(CCCl)c(Cl)n1 MOL26843
-CSc1nc(C)c(CCOC(C)=O)c(Cl)n1 MOL26844
-Cc1c(CCOC=O)c(=O)nc2[nH]ncn12 MOL26845
-Cc1nc(NN=Cc2ccccc2Cl)nc(O)c1CCO MOL26846
-Cc1cc(C)n(-c2nc(C)c(CCO)c(O)n2)n1 MOL26847
-Cc1nc(-n2[nH]c(C)c(CCO)c2=O)nc(O)c1CCO MOL26848
-Cc1nc2[nH]ccn2c(=O)c1CCCl MOL26849
-CC(C)C1CSC2N1C(=O)C2(OCc1ccccc1)C1CC1 MOL26850
-COC(=O)C=C1CC2OC(O)(C1)C(C)C(=O)OC1CC(C=C(C)C)OC(CC3(O)OC(CCC2O)C(C)C2(O)CCC(C)C(=O)C32)C1C MOL26851
-[C-]#[N+]C1(C)CCC2C(C)CCC(C(=C)C)C23C=C(C)CCC13 MOL26852
-COCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26853
-CCSCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26854
-CCSCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26855
-CCSCCCCCCCCCCCC(=O)O MOL26856
-O=C(O)CCCCCCCCCCCBr MOL26857
-CCOC(=O)NN(C(=O)OCC)C(=C(c1ccccc1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC MOL26858
-CCOC(=O)NN(C(=O)OCC)C(C(=O)c1ccccc1)N(NC(=O)OCC)C(=O)OCC MOL26859
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O MOL26860
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O MOL26861
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O MOL26862
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O MOL26863
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O)C(C)O MOL26864
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O MOL26865
-CC(N)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O MOL26866
-CC(NC(=O)CNC(=O)C(N)CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O MOL26867
-N=C(CSCCSCC(=N)NO)NO MOL26868
-N=C(CCSCCSCCC(=N)NO)NO MOL26869
-CC1=C(C)C1[N+](=O)[O-] MOL26870
-CCCCC1=CC1(C#N)[N+](=O)[O-] MOL26871
-CC(=O)CC12NC(=O)N(C)N=C1N(C)C(=O)N(C)C2=O MOL26872
-CCOC(=O)CNC1=c2ccccc2=S(=O)(O)N=N1 MOL26873
-O=S(=O)(O)c1ccc(O)c(N=Nc2ccc(C=Cc3ccc(N=Nc4cc(S(=O)(=O)O)ccc4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1.[NaH] MOL26874
-O=C(O)c1ccccc1S MOL26875
-C#CC1(O)CCC2C3CCc4cc(Oc5nc(F)nc(-c6c(C)c(C(=O)OCC)n7ccccc67)n5)ccc4C3CCC21C MOL26876
-Br.CN(C)c1ccc(C(Br)=C2OC(=O)c3ccccc32)cc1 MOL26877
-BrCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1 MOL26878
-BrCCCCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1 MOL26879
-Oc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1 MOL26880
-COc1ccc(-c2c3ccccc3c(-c3ccc(OCCBr)cc3)c3ccccc23)cc1 MOL26881
-O=c1ccc2ccc(OP(=O)(O)O)cc2o1 MOL26882
-COC(=O)C=Cc1ccc(OP(=O)(O)O)c(OC)c1 MOL26883
-COc1cc(C=CC(C)=O)ccc1OP(=O)(O)O MOL26884
-CCCn1cc[n+]([Pt-2]([I-])([I-])[n+]2ccn(CCC)c2)c1 MOL26885
-COc1ccc(N=CC=CC(=CCOC(C)=O)OC(C)=O)cc1 MOL26886
-CC(=O)OCC=C(C=CCNC1CCCCC1)OC(C)=O MOL26887
-COc1ccc(NCC=CC(=CCOC(C)=O)OC(C)=O)cc1 MOL26888
-CCCCC1(NN=C2CCCCC2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O MOL26889
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26890
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26891
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26892
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26893
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26894
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26895
-CCC(CCCCC1CCC2CC(=O)CC12)OC MOL26896
-CC(=O)C12CC(C#N)(N3CCCCCC3)C1C=Cc1ccccc12 MOL26897
-O=C(CP(=O)(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(=O)(c2ccccc2)c2ccccc2)c1 MOL26898
-O=C(CP(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(c2ccccc2)c2ccccc2)c1 MOL26899
-CN(C(=O)CC(=O)CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 MOL26900
-CN1N=C(c2ccccc2)c2cc(Cl)ccc2N=C1NN=Cc1ccc(N(C)C)cc1 MOL26901
-CC=NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C MOL26902
-COc1cc(OC)c2c(=O)c3cccc(C)c3n(C)c2c1 MOL26903
-Cc1cccc2c1c(=O)c1c(O)cc(O)cc1n2C MOL26904
-Cc1cccc2c(=O)c3c(O)cc(O)cc3n(C)c12 MOL26905
-Cc1cccc2c1c(=O)c1c(O)cc3c(c1n2C)C=CC(C)(C)O3 MOL26906
-Cc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4 MOL26907
-Cc1cc(O)c2c(=O)c3ccccc3[nH]c2c1 MOL26908
-COc1cc(C)cc2c1c(=O)c1ccccc1n2C MOL26909
-COc1cc(C)c2c(=O)c3ccccc3n(C)c2c1 MOL26910
-Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCC1)O3 MOL26911
-COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCC1)O2 MOL26912
-COC(=O)C1(C)CCCC2(C)C1CCC13C=C(C(C)C)C(CC1=O)CC32 MOL26913
-CC(C)c1ccc2c(c1)C=C1OC(=O)C3(C)CCCC2(C)C13 MOL26914
-COC(=O)C1(C)CCCC2(C)C1CCC13C=C(C(C)C)C(CC21)CC3(Cl)C#N MOL26915
-O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccc2)n1 MOL26916
-Cc1ccccc1Nc1nc(NNC(=O)Cc2ccccc2)nc(NNC(=O)c2ccncc2)n1 MOL26917
-COc1ccccc1Nc1nc(NNC(=O)Cc2ccccc2)nc(NNC(=O)c2ccncc2)n1 MOL26918
-O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2cccc(Cl)c2)n1 MOL26919
-Cc1cccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c1 MOL26920
-COc1cccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c1 MOL26921
-O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccc(Cl)cc2)n1 MOL26922
-Cc1ccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)cc1 MOL26923
-COc1ccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)cc1 MOL26924
-O=C(Cc1ccccc1)NNc1nc(NNC(=O)c2ccncc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1 MOL26925
-O=S(=O)(CCCC1C(CCOCc2ccccc2)C2CCCN1O2)c1ccccc1 MOL26926
-CC1(C)C(C#N)C1C1=C(N2CCOCC2)C2(C)C(CCC2OC(=O)c2ccccc2)C1 MOL26927
-CCOP1(=O)CC(C)=C(Cl)C(OC)C1 MOL26928
-CCOP1(=O)CC(C)=C(Cl)C(O)C1 MOL26929
-COC1(C)CP(=O)(OC(C)C)CC(C)=C1Cl MOL26930
-CC12CP(=O)(O)CC1C2(Cl)Cl MOL26931
-CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4c(=O)c1c23 MOL26932
-CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(OC)c4c(=O)c1c23 MOL26933
-CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(O)c4c(=O)c1c23 MOL26934
-CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4c(=O)c1c23 MOL26935
-O=C(O)C[n+]1cn(NC(=O)Cc2ccccc2)cn1.[BrH2+] MOL26936
-CN(C(=O)Cc1ccccc1)n1cn[n+](CC(=O)OC(C)(C)C)c1.[Br-] MOL26937
-CC(C)(C)OC(=O)Cn1ncn(NC(=O)Cc2ccccc2)c1=O MOL26938
-O=C(O)Cn1ncn(NC(=O)Cc2ccccc2)c1=S MOL26939
-CC(C)(C)OC(=O)Cn1ncn(NC(=O)Cc2ccccc2)c1=S MOL26940
-CN(C(=O)Cc1ccccc1)n1cnn(CC(=O)OC(C)(C)C)c1=S MOL26941
-CON=C(C(=O)Nc1cncs1)c1csc(=N)[nH]1 MOL26942
-CON=C(C(=O)[N-]n1cn[n+](CC(=O)OC(C)(C)C)c1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL26943
-CON=C(C(=O)Nc1cncs1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL26944
-CON=C(C(=O)OC(=NC1CCCCC1)NC1CCCCC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL26945
-CON=C(C(=O)[N-]n1cn[n+](CC(=O)[O-])c1)c1csc(=N)[nH]1.[Na+] MOL26946
-CON=C(C(=O)N(C)n1cnnc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL26947
-CON=C(C(=O)N(C(=O)C(=NOC)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)n1cnn(CC(=O)OC(C)(C)C)c1=O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL26948
-CC=CC(C(=O)OC)N1C(=O)c2ccccc2C1O MOL26949
-C=C(C)C(C(=O)OC)N1C(=O)c2ccccc2C1=O MOL26950
-Cc1cc(O)c2c(c1)C(=O)C=C(Br)C2=O MOL26951
-COc1cc(C)cc2c1C(=O)C(Br)=CC2=O MOL26952
-COc1cc(Br)c(OC)c2c(OC)cc(C)cc12 MOL26953
-COc1cc(CC(C)N)cc(OC)c1.Cl MOL26954
-COc1cc(CC(C)NC(C)=O)cc(OC)c1 MOL26955
-COc1cc2c(c(OC)c1)C(C)=NC(C)C2 MOL26956
-COc1ccc(OC)c2c(OC)cc(C)cc12 MOL26957
-C=C(CN)CO[Si](C)(C)C(C)(C)C MOL26958
-CCN(CC)[N+](=O)[N-]OCOC(C)=O MOL26959
-O=S(=O)(O)c1ccc(O)c(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)ccc4O)cc3)cc2)c1.[NaH] MOL26960
-C[n+]1ccccc1.O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)O)ccc3O)cc2)cc1)c1cc(S(=O)(=O)O)ccc1O.[Cl-].[NaH] MOL26961
-CCCCCOCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26962
-CCCCCCCCCCOCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26963
-CCCCCSCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL26964
-c1csc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)c1 MOL26965
-Fc1ccc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)cc1 MOL26966
-Clc1cccc(-c2sc(-c3ccsc3)cc2Cc2ccsc2)c1 MOL26967
-Cl.O=[N+]([O-])c1nccn1CCCNCCCn1ccnc1[N+](=O)[O-] MOL26968
-CN(C)CCCNc1c2ccccc2[n+](O)c2ccccc12.Cl.[Cl-] MOL26969
-Cc1ncc([N+](=O)[O-])n1CCNCCCCn1ccnc1[N+](=O)[O-].Cl MOL26970
-Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(Cl)cc1Cl.[NaH] MOL26971
-Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(S)cc1Cl MOL26972
-Cc1cc(S(=O)(=O)Nc2n[nH]c(Nc3ccccc3)n2)c(S)cc1Cl MOL26973
-Cc1cc2c(cc1Cl)SSc1cc(Cl)c(C)cc1S(=O)(=O)N=C1NC(=N)NN1C(O)N1NC(=N)NC1=NS2(=O)=O MOL26974
-Cc1cc(S(=O)(=O)Nc2n[nH]c(=N)[nH]2)c(SCC(=O)O)cc1Cl MOL26975
-CCCCC(Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1n[nH]c(=N)[nH]1)C(=O)OC MOL26976
-COC(=O)CSc1cc(Cl)c(C)cc1S(=O)(=O)Nc1n[nH]c(=N)[nH]1 MOL26977
-Cc1cc(S(=O)(=O)Nc2nc(=N)n(C)[nH]2)c(S)cc1Cl MOL26978
-Cc1cc(S(=O)(=O)Nc2nncn2-c2ccc(Cl)cc2)c(S)cc1Cl MOL26979
-CCCCn1cnnc1NS(=O)(=O)c1cc(C)c(Cl)cc1SCC(=O)O MOL26980
-Cc1cc(S(=O)(=O)Nc2cc(=N)[nH][nH]2)c(SCc2nc(N)nc(N(C)C)n2)cc1Cl MOL26981
-Cc1cc(S(N)(=O)=O)c(SCc2nc(N)nc(N(C)C)n2)cc1Cl MOL26982
-CC1=NN(c2nc(N)nc(CSc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)C(C)(C)C1 MOL26983
-CC1=NN(c2nc(N)nc(C(C)Sc3cc(Cl)c(C)cc3S(N)(=O)=O)n2)C(C)(C)C1 MOL26984
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(S)cc1Cl MOL26985
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(SCC(=O)O)cc1Cl MOL26986
-CCC(Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nc(N)nc(N(C)C)n1)C(=O)O MOL26987
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N(C)C)n2)c(SC(C(=O)O)c2ccccc2)cc1Cl MOL26988
-CC1=NN(c2nc(N)nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)C(C)(C)C1 MOL26989
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3N=CCC3C)n2)c(S)cc1Cl MOL26990
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3N=CCC3C)n2)c(SCC(=O)O)cc1Cl MOL26991
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3CCOCC3)n2)c(SCC(=O)O)cc1Cl MOL26992
-Cc1cc2c(cc1Cl)SC(NN(C)C)=NS2(=O)=O MOL26993
-CNNC1=NS(=O)(=O)c2cc(C)c(Cl)cc2S1 MOL26994
-CNNC1=NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2S1 MOL26995
-CNNC1=NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1 MOL26996
-Cc1cc2c(cc1Cl)SC(NNc1ccc([N+](=O)[O-])cc1)=NS2(=O)=O MOL26997
-Cc1cc2c(cc1Cl)SC(NNC1=NCCN1)=NS2(=O)=O MOL26998
-Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccco1)=NS2(=O)=O MOL26999
-Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccncc1)=NS2(=O)=O MOL27000
-Cc1cc2c(cc1Cl)SC(NNC(=O)c1ccccc1)=NS2(=O)=O MOL27001
-CSC1=NS(=O)(=O)c2cc(C(=O)NN(C)C(=O)c3cc4c(cc3Cl)SC(SC)=NS4(=O)=O)c(Cl)cc2S1 MOL27002
-CN(C)NC1=NS(=O)(=O)c2cc3c(=O)n(C)[nH]c3cc2S1 MOL27003
-CN(C)NC1=NS(=O)(=O)c2cc3c(cc2S1)N(N(C)C)C(=O)c1cc2c(cc1N(N(C)C)C3=O)SC(NN(C)C)=NS2(=O)=O MOL27004
-CNNC(=NS(=O)(=O)c1cc(C#N)c(NNC)cc1S)NNC MOL27005
-Cc1cc(S(=O)(=O)N=C(NN)NCC(=O)NN)c(S)cc1Cl MOL27006
-CC(C)Cn1cnnc1NS(=O)(=O)c1cc(C(=O)NN)c(Cl)cc1S MOL27007
-Br.CN(C)c1nc(=NCc2ccccc2)ss1 MOL27008
-Br.CN(C)c1nc(=NCc2ccccn2)ss1 MOL27009
-Br.CN(C)c1nc(=NCc2cccs2)ss1 MOL27010
-Br.CN(C)c1nc(=NCc2cccnc2)ss1 MOL27011
-Br.CN(C)c1nc(=NCc2ccncc2)ss1 MOL27012
-Br.COc1cc(CN=c2nc(N(C)C)ss2)cc(OC)c1OC MOL27013
-CC1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3C(O)C=C3CC=CC(=O)C31C)C(=O)OC24C MOL27014
-CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC2OC24CC=CC(=O)C14C)C(=O)OC35C MOL27015
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL27016
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL27017
-CC1CC(O)c2ccccc2O1 MOL27018
-Cn1c(=O)c2nc(Nc3ccccc3)[nH]c2n(C)c1=O MOL27019
-COc1ccccc1Nc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 MOL27020
-COc1cccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c1 MOL27021
-COc1ccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 MOL27022
-Cn1c(=O)c2nc(Nc3cccc(Cl)c3)[nH]c2n(C)c1=O MOL27023
-CN1CCO[Ge]2(OCC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 MOL27024
-CCOC(=O)CSc1[nH]c(NC(=S)Nc2ccccc2)c(C(N)=O)c1C(N)=O MOL27025
-CCSc1[nH]c(NC(=S)NC(=O)c2ccccc2Cl)c(C(N)=O)c1C(N)=O MOL27026
-CCSc1[nH]c(N=C(NC(=O)c2ccccc2)NC(C)C)c(C(N)=O)c1C(N)=O MOL27027
-CCSc1[nH]c(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C(N)=O)c1C(N)=O MOL27028
-COC(=O)CSc1nc2[nH]c(SC)c(C(N)=O)c2c(=O)n1-c1ccccc1 MOL27029
-CCOC(=O)CSc1[nH]c2nc(C)nc(Cl)c2c1C#N MOL27030
-COC(=O)CSc1[nH]c2nc(C)nc(Nc3ccccc3)c2c1C#N MOL27031
-CC(=O)OC1C(CN2CCOC2=O)OC(n2cc(C)c(=O)[nH]c2=O)C1OC(C)=O MOL27032
-CC(=O)OC1C(CN2CCOC2=O)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O MOL27033
-CCOC(=O)c1ccc(C(=O)OCC)n1-c1cc2cc(c1)CSCc1cc(cc(-n3c(C(=O)OCC)ccc3C(=O)OCC)c1)CSC2 MOL27034
-CC1=C2CN(C(=O)OCC(C)C)CCC2C2=C(C(=O)c3ccccc3C2=O)C1C MOL27035
-CCOC(=O)N1CCC2C(=C(C)C(C)C3=C2C(=O)c2ccccc2C3=O)C1 MOL27036
-COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3S2)cc1 MOL27037
-CCCC(=O)OC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 MOL27038
-CCC(=O)OC1=C(c2ccccc2)Sc2ccc(Cl)cc2-n2cccc21 MOL27039
-COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccc(Cl)cc3S2)cc1 MOL27040
-COc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc(Cl)ccc3S2)cc1 MOL27041
-COc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3cc(C(F)(F)F)ccc3S2)cc1 MOL27042
-CCC1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O MOL27043
-COc1ccc(C(=O)C=Cc2ccc(OCC(=O)N3CCN(c4ccccc4)CC3)cc2)cc1OC MOL27044
-COc1ccc(C(=O)C=Cc2ccc(OCC(=N)N)cc2)cc1OC.Cl MOL27045
-CN(C)CCNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl MOL27046
-CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CCN(CCO)CC1 MOL27047
-CC(C)(Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)N1CCN(c2ccccc2)CC1 MOL27048
-Cl.NC1c2c(Br)sc(Br)c2C(=O)C1O MOL27049
-O=C(OCc1ccccc1)C1(N2CN(C3(C(=O)OCc4ccccc4)CCCC3)CN(C3(C(=O)OCc4ccccc4)CCCC3)C2)CCCC1 MOL27050
-CCCCCCN(CCCCCC)C(=S)NP(=O)(OCC)OCC MOL27051
-CCOC(=O)c1sc2nc(-c3ccccc3)nn2c1CBr MOL27052
-CCOc1ccc(-c2nc(-c3oc4ccccc4c(=O)c3OC(C)=O)cs2)cc1 MOL27053
-Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C1OCC(C)(O)C1O3 MOL27054
-C#CC(C)(C)Oc1cc(OC)c2c(=O)c3ccccc3n(C)c2c1 MOL27055
-C=C(C)C1Cc2c(cc3c(c2O)c(=O)c2ccccc2n3C)O1 MOL27056
-COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2=O MOL27057
-O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21 MOL27058
-N#Cc1ccc(N=C(NCC(=O)O)Nc2cccc3ccccc23)cc1 MOL27059
-CC(C)(C)[Si](C)(C)Oc1cc(CO)cc2c1cc(=N)o[n+]2[O-] MOL27060
-c1ccc(COCC2OC(c3ccccc3)CC(OCc3ccccc3)C2OCc2ccccc2)cc1 MOL27061
-CC1OC(c2ccc3c(OCc4ccccc4)cccc3c2O)CC(OCc2ccccc2)C1OCc1ccccc1 MOL27062
-CC1OC(c2ccccc2)=CC(OCc2ccccc2)C1OCc1ccccc1 MOL27063
-C1=C(c2ccccc2)OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 MOL27064
-N#Cc1ccc(N=C(NCC(=O)O)Nc2ccc3ccccc3c2)cc1 MOL27065
-COc1cc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc(OC)c1OC MOL27066
-O=[N+]([O-])c1ccc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)o1 MOL27067
-Clc1ccc(C=NNc2nnc3c4ccccc4c4ncccc4c3n2)cc1 MOL27068
-C=CCc1c(O)c2nsnc2c2nsnc12 MOL27069
-CN1CCN(c2cc3nsnc3c3nsnc23)CC1 MOL27070
-Cn1c2ccc(Cl)cc2c2ccc3c(c21)C(=O)C=CC3=O MOL27071
-Cc1ccc2c(c1)c1ccc3c(c1n2C)C(=O)C=CC3=O MOL27072
-CCCn1c2ccccc2c2ccc3c(c21)C(=O)C=CC3=O MOL27073
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(-c3cccc([N+](=O)[O-])c3)c21 MOL27074
-Cc1ccc2c3ccc4c(c3n(C)c2c1)C(=O)C=CC4=O MOL27075
-Cn1c2ccccc2c2c(-c3ccccc3)cc3c(c21)C(=O)C=CC3=O MOL27076
-COC(=O)c1c2c(c3c(c1C(=O)OC)c1ccccc1n3C)C(=O)C=CC2=O MOL27077
-COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCC4C3C2=O)c1 MOL27078
-COc1cccc(N2C(=O)C3CC(CC(C)(C)C)c4c([nH]c5ccccc45)C3C2=O)c1 MOL27079
-COc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4c5ccccc5CCC4C3C2=O)c1 MOL27080
-C=C1OC(=O)C2(C(C=CC)C=CC(=O)C2O)C1O MOL27081
-COC(=O)C(=O)c1c2ccccc2n2ccc3c4ccccc4[nH]c3c12 MOL27082
-O=Cc1c2ccccc2n2ccc3c4ccccc4[nH]c3c12 MOL27083
-c1ccc2c(c1)ccn2CCc1c[nH]c2ccccc12 MOL27084
-c1ccc2c(c1)cc1c3[nH]c4ccccc4c3ccn21 MOL27085
-O=C(C(=O)n1ccc2ccccc21)c1c[nH]c2ccccc12 MOL27086
-O=C(C(=O)N1CCc2ccccc21)c1c[nH]c2ccccc12 MOL27087
-c1ccc2c(c1)CCN2CCc1c[nH]c2ccccc12 MOL27088
-c1ccc2c(c1)CC1c3[nH]c4ccccc4c3CCN21 MOL27089
-c1ccc2c(c1)cc1n2CCc2c-1[nH]c1ccccc21 MOL27090
-NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O.[Cu] MOL27091
-COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(O)c(C(=O)OC)c2)cc(Cl)c1O MOL27092
-COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)c3ccccc3)c(C(=O)OC)c2)cc(Cl)c1OC(=O)c1ccccc1 MOL27093
-CC(=O)OC1C2C(=C(C)C(=O)OC2c2ccoc2)C2(C)C3CCC(C)(C(=O)O3)C12 MOL27094
-CC(=O)OC1C2C(=C(C)C(=O)OC2c2ccoc2)C2(C)CC3CC(C)(C(=O)O3)C12 MOL27095
-CC1C(=O)OC2C=CC3(C)C(=O)OC4OC5(c6ccoc6)CC1(O)C2(C)C43O5 MOL27096
-CC1C(=O)OC2CCC3(C)C(=O)OC4OC5(c6ccoc6)CC1(O)C2(C)C43O5 MOL27097
-COC(=O)C1(C)CCCC2(C)C3(O)C(C)C(=O)OC(c4ccoc4)C3C(OC(C)=O)C12O MOL27098
-Cc1ccc(S(=O)(=O)OC2C3OC(C)(C)OC3OC2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 MOL27099
-Cc1ccc(S(=O)(=O)OC2C(O)C(O)OC2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 MOL27100
-CC(=CCCC1=CC(=O)OC1)CCC1C2C(=O)CC(C)C3(C)CCC1(C)C23C MOL27101
-CC(=CCCC1=CC(=O)OC1)CCC1C2C(=O)CC(C)C3(C)CCC1(C)C23C MOL27102
-CC(=O)OCC12CCC3C4(C)CCCC(C)(C)C4CCC3(C)C1CC(C1=CC(=O)OC1O)O2 MOL27103
-CC(=O)OCC12CCC3C4(C)CCCC(C)(C)C4CCC3(C)C1CC(C1=CC(=O)OC1O)O2 MOL27104
-C=C(C)C1Cc2c(cc(O)c3c(=O)c4c(oc23)C(O)Oc2cc(OC)c(OC)cc2-4)O1 MOL27105
-O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 MOL27106
-NC(=O)NN=C1CCCCc2ccccc21 MOL27107
-O=C(NN=C1CCc2ccccc2C1)NN=C1CCc2ccccc2C1 MOL27108
-NC(=S)NN=C1CCCCc2ccccc21 MOL27109
-CN(C)CC1CCCc2ccccc2C1=O.Cl MOL27110
-C[N+](C)(C)CC1CCCc2ccccc2C1=O.[I-] MOL27111
-C[N+](C)(C)CC1Cc2ccccc2C1=O.[I-] MOL27112
-CCN(CC)CCC(=O)C=Cc1ccc(Cl)c(Cl)c1.Cl MOL27113
-CC[N+]1(C)CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1.[Br-] MOL27114
-Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)C)C(C)C)cc1 MOL27115
-CC(C)(CN1CCCCC1)C(C=Cc1ccc(Cl)c(Cl)c1)=NNC(=O)NN=C(C=Cc1ccc(Cl)c(Cl)c1)C(C)(C)CN1CCCCC1.Cl MOL27116
-Cc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl MOL27117
-COc1ccc(C=CC(=NNC(=O)NN=C(C=Cc2ccc(OC)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1.Cl MOL27118
-CN(C)CC1CCCCCCCCCCC1=O.Cl MOL27119
-CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3=O)C(=O)CCC2 MOL27120
-CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3=NOC)C(=NOC)CCC2 MOL27121
-CCCCNC(=S)NC=C1C(=O)Nc2ccccc2C1=O MOL27122
-O=C1OC(C(O)CO)C(C(O)CO)OC1=O MOL27123
-O=[N+]([O-])C1CCC(=NO)c2nonc21 MOL27124
-CC(C)(C=NO)NO MOL27125
-CC(=O)O.CC(NO)C(=NO)c1ccco1 MOL27126
-CC1(C)[CH-][N+](=O)C(C)(C)N1O MOL27127
-CC1(C)C(=O)N(O)C(C)(C)N1N=O MOL27128
-C[C-]1[N+](=O)C(C)(C)N(N=O)C1(C)C MOL27129
-CC(C)(NO)C(=NO)c1ccccc1 MOL27130
-CC1(C)[C-](c2ccccc2)[N+](=O)C(C)(C)N1O MOL27131
-CC1(C)[C-](CBr)[N+](=O)C(C)(C)N1O MOL27132
-CC1(C)C(=O)N(O)C(C)(C)N1O MOL27133
-CC1(C)NC(=C[N+](=O)[O-])C(C)(C)N1O MOL27134
-CC1=C(C(=O)OC2CC3CCC2(C)C3(C)C)C2Nc3ccccc3N(C)C2O1 MOL27135
-CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC MOL27136
-C(=NNc1nnc(-c2nnc(NN=Cc3ccccc3)o2)o1)c1ccccc1 MOL27137
-NNc1nnc(-c2nnc(NN)o2)o1 MOL27138
-Cc1cccc(C=NNC(=S)N2CCCC2)n1 MOL27139
-C[N+](C)(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-].[I-] MOL27140
-COc1ccc(O)c2c(=O)c3cc(O)ccc3oc12 MOL27141
-COc1cc(OC)c2c(=O)c3cccc(O)c3oc2c1 MOL27142
-COc1cccc2c(=O)c3ccccc3oc12 MOL27143
-COc1c(O)ccc2oc3cccc(O)c3c(=O)c12 MOL27144
-COc1ccc2oc3cc(O)cc(OC)c3c(=O)c2c1O MOL27145
-COc1cc2c(=O)c3ccccc3oc2c(O)c1OC MOL27146
-COc1cc(O)c2c(=O)c3c(OC)c(O)ccc3oc2c1 MOL27147
-COc1c(O)ccc2oc3cc(O)cc(O)c3c(=O)c12 MOL27148
-CC(C)=CCOc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O MOL27149
-CC1CCC2(C(=O)O)CCC3(C)C(=C2C1C)C=CC1C2(C)CCC(O)C(C)(C)C2CCC13C MOL27150
-Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C4C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)cc1 MOL27151
-COc1c(O)cc2c(c1O)C1OC(CO)C(O)C(O)C1OC2=O MOL27152
-COC(=O)c1c(C(=O)OC)c(C(c2ccccc2)c2ccccc2)n(-c2ccccc2)c1Cl MOL27153
-CC1(C)Cc2ccccc2C(C)(Cl)C(=O)N1 MOL27154
-CC(=O)O.COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)NC5C)c4cc(C)cc(OC)c4c3O)c(O)c12 MOL27155
-CS(=O)(=O)c1n[nH]c2nc(O)nc(O)c12 MOL27156
-NC(=S)NNC(=S)NC(=O)c1ccco1 MOL27157
-Cc1nc(SCC(=O)Nc2ccccc2)c2sc(=S)n(-c3ccccc3)c2n1 MOL27158
-CC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1 MOL27159
-Cc1nc(SCC(N)=O)c2sc(=S)n(-c3ccccc3)c2n1 MOL27160
-COc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1 MOL27161
-Cc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1 MOL27162
-Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2sc(=S)n(-c3ccccc3)c2n1 MOL27163
-c1ccc(C2=NC3OC2c2ccccc23)cc1 MOL27164
-O=c1c2cccnc2[nH]c2ccc3[nH]ncc3c12 MOL27165
-O=c1c2cccnc2[nH]c2ccc3cn[nH]c3c12 MOL27166
-O=c1[nH]c2cc3[nH]c4ncccc4c(=O)c3cc2[nH]1 MOL27167
-O=c1c2cc3c(cc2[nH]c2ncccc12)OCO3 MOL27168
-O=c1c2cccnc2[nH]c2ccc3scnc3c12 MOL27169
-CCN(CC)CCn1ncc2c3c(=O)c4cccnc4n(CCN(CC)CC)c3ccc21 MOL27170
-CCN(CC)CCn1ncc2ccc3c(c(=O)c4cccnc4n3CCN(CC)CC)c21.Cl MOL27171
-CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCO3.Cl MOL27172
-CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCCO3.Cl MOL27173
-Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCO3 MOL27174
-Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCOCCO3 MOL27175
-Nc1c2cc3ccc2nc2ccc(cc12)OCCOCCOCCOCCOCCOCCO3 MOL27176
-NC(=O)CSc1c2cc(O)ccc2nc2ccc(O)cc12 MOL27177
-CC1(C)CC(=O)c2c(nc(SSc3nc4c(c(-c5ccc(Br)cc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccc(Br)cc2)C1 MOL27178
-CC1(C)CC(=O)c2c(nc(SSc3nc4c(c(-c5ccccc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccccc2)C1 MOL27179
-CN(C)C=C(C(=O)c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1 MOL27180
-CC(=O)N(C(C)=O)c1ncc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c(-c2ccccc2)n1 MOL27181
-COC(=O)C1Cc2cc(O)c(O)cc2C2(CCN(C)CC2)O1.Cc1ccc(S(=O)(=O)O)cc1 MOL27182
-CCCCCCCCCCC[N+]1(Cc2ccccc2)CC2CCN(Cc3ccccc3)CC2C1.[Br-] MOL27183
-COC(=O)Cc1ccc2c(cnn2-c2ccccc2)c1OC MOL27184
-CC(c1ccccc1)N1CN(C(=O)OCc2ccccc2)C(CO)C1=O MOL27185
-CC(c1ccccc1)N1CN(C(=O)OCc2ccccc2)C(C)(C)CC1=O MOL27186
-CCOc1c(OC)cc(-c2nc3n(n2)C(=O)C(CC)S3)cc1OC MOL27187
-O=C1CCSc2nc(-c3ccc4c(c3)OCO4)nn21 MOL27188
-CCOC(=O)c1sc2nc1CSc1sc(=S)sc1SCc1nc(sc1C(=O)OCC)-c1nc(c(C(=O)OCC)s1)CSc1sc(=S)sc1SCc1nc-2sc1C(=O)OCC MOL27189
-CCN(CC)CC.O=P(O)(OCCc1ccccc1)Oc1ccccc1O MOL27190
-CCOP(=O)(OCC)C(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)P(=O)(OCC)OCC MOL27191
-CC(C)(C)c1cc(C(P(=O)(c2ccccc2)c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O MOL27192
-O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1coc2ccccc2c1=O MOL27193
-c1ccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL27194
-Fc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 MOL27195
-Clc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL27196
-Brc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 MOL27197
-O=[N+]([O-])c1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL27198
-Cc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 MOL27199
-FC(F)(F)c1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL27200
-COc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 MOL27201
-N#Cc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL27202
-CN(C)c1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL27203
-Clc1cccc(C=NC23CC4CC(CC(C4)C2)C3)c1Cl MOL27204
-Clc1ccc(C=NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 MOL27205
-Clc1cccc(Cl)c1C=NC12CC3CC(CC(C3)C1)C2 MOL27206
-Clc1ccc(C=NC23CC4CC(CC(C4)C2)C3)cc1Cl MOL27207
-Clc1cc(Cl)cc(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL27208
-Fc1ccc(F)c(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL27209
-O=[N+]([O-])c1ccc(Cl)c(C=NC23CC4CC(CC(C4)C2)C3)c1 MOL27210
-Clc1cccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1Cl MOL27211
-Clc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c(Cl)c1 MOL27212
-Clc1ccc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1Cl MOL27213
-Clc1cc(Cl)cc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 MOL27214
-O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)cc2)cc1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL27215
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc(N=Nc4cc(S(=O)(=O)O)c5cccnc5c4O)cc3)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1.[NaH] MOL27216
-OCC12CCC(n3cnc4c(O)ncnc43)C1C2 MOL27217
-O=c1ccn(C2CCC3(CO)CC23)c(=O)[nH]1 MOL27218
-N=c1ccn(C2CCC3(CO)CC23)c(=O)[nH]1 MOL27219
-Cc1cn(C2CCC3(CO)CC23)c(=O)[nH]c1=O MOL27220
-COc1ccc(OC)c(C(Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)c1 MOL27221
-O=c1[nH]c(=Cc2ccc3c(c2)OCO3)c(=O)[nH]c1=Cc1ccc2c(c1)OCO2 MOL27222
-COc1ccccc1C=Cc1nc2ccccc2o1 MOL27223
-c1ccc2c(c1)N=c1cc3c(cc1N2)=NC12CCCCC1CC1=C(CCCC1)N32 MOL27224
-O=C1C=C2C(=NC34CCCCC3C(c3ccccc3)C3=C(c5ccccc5CC3)N24)c2ccccc21 MOL27225
-c1ccc(C2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=NC34CCCCC24)Nc2ccccc2N=5)cc1 MOL27226
-CCC(C)(C)c1cc2c(O)c(c1)C1(CC(C)(C)c3ccc(O)c1c3)SS2 MOL27227
-C=CC1(O[Si](C)(C)C)CC2(C(=O)OCC)C(O)C(=O)N3CCc4cc(OC)c(OC)cc4C312 MOL27228
-CCOC(=O)C12CC(C=COC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2=O MOL27229
-CCOC(=O)C12CC(C=COC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2O MOL27230
-O=C(O)CNC(=O)C(CSC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.[NaH] MOL27231
-COC(=O)CNC(=O)C(CSC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC MOL27232
-CC=CC=C1C=Cc2c(C(=O)OC)coc(=O)c21 MOL27233
-Cl.NC1CC(=O)c2c(Br)sc(Br)c21 MOL27234
-O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCOCC3)c21 MOL27235
-O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCNCC3)c21 MOL27236
-O=C1CC(NC(=O)C(F)(F)F)c2c1csc2Br MOL27237
-Cl.NC1CC(=O)c2c(Cl)sc(Cl)c21 MOL27238
-Cl.NC1c2c(Cl)sc(Cl)c2C(=O)C1O MOL27239
-CC(C)C(NC(=O)Oc1ccccc1)C(=O)NC1c2c(Br)sc(Br)c2C(=O)C1O MOL27240
-O=C1CC(NC(=O)C(F)(F)F)c2c(Br)sc(N3CCC(c4ccccc4)CC3)c21 MOL27241
-O=C1c2c(Br)sc(Br)c2C(NC(=O)C(F)(F)F)C1Br MOL27242
-Cl.NC1c2c(Br)sc(N3CCCC3)c2C(=O)C1O MOL27243
-O=C(NC1CC(=NO)c2c(Br)sc(Br)c21)C(F)(F)F MOL27244
-O=C1c2c(Br)sc(Br)c2C(NC(=O)C(F)(F)F)C1O MOL27245
-Cl.O=C(NCCCN1CCCCCC1)C(c1ccccc1)C1CCCCC1 MOL27246
-O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(OCCN1CCCCCC1)C(c1ccsc1)C1CCCCC1 MOL27247
-CCC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 MOL27248
-CCC1(C)C=Cc2c(cc(OC)c3c(=O)c4ccccc4n(C)c23)O1 MOL27249
-Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC1(CCCCC1)O3 MOL27250
-COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCCC1)O2 MOL27251
-COc1cc(OC)c2c(=O)c3ccccc3n3c(C(C)O)cc1c23 MOL27252
-Cc1cccc2[nH]c3cc(O)cc(O)c3c(=O)c12 MOL27253
-Cc1cccc2c(=O)c3c(O)cc(O)cc3[nH]c12 MOL27254
-COc1cc(O)c2c(=O)c3c(C)cccc3n(C)c2c1 MOL27255
-COc1cc(O)c2c(=O)c3cccc(C)c3[nH]c2c1 MOL27256
-Cc1cccc2[nH]c3c(c(O)cc4[nH]c5cccc(C)c5c(=O)c43)c(=O)c12 MOL27257
-COc1c(C)c2c(c(=O)c3c(C)cccc3n2C)c2c1c(=O)c1c(C)cccc1n2C MOL27258
-Cc1cccc2c1c(=O)c1c(O)c3c(cc1n2C)OC(C)(C)C=C3 MOL27259
-Cc1ccc2c(=O)c3c(O)c4c(cc3n(C)c2c1)OC(C)(C)C=C4 MOL27260
-C#CCn1c(=O)c2ccccc2n(CC#C)c1=O MOL27261
-C#CCn1c(=O)c2cc(OC)c(OC)cc2n(CC#C)c1=O MOL27262
-CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(OC)nc2N1 MOL27263
-CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(OC)n(C)c2=O)N1 MOL27264
-CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(SC)nc2N1 MOL27265
-CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(nc(SC)n(C)c2=O)N1 MOL27266
-CCOC(=O)C1=CC(C)(C(=O)OCC)Nc2c(O)nc(N)nc2N1 MOL27267
-CC(=O)OC1COC(Nc2[nH]c(=N)n(C)c(=O)c2N=O)C(OC(C)=O)C1OC(C)=O MOL27268
-CCCCNc1nc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c(N=O)c(=O)n1C MOL27269
-CC(=O)OC1COC(Nc2nc(NCc3ccccc3)n(C)c(=O)c2N=O)C(OC(C)=O)C1OC(C)=O MOL27270
-CC(Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.[KH] MOL27271
-COc1nc(N)c(N=O)c(OCc2ccccc2)n1 MOL27272
-Cn1cnc(N)c(N=O)c1=O MOL27273
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(P(=O)(O)O)c5cc(P(=O)(O)O)ccc45)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc(P(=O)(O)O)c3cc(P(=O)(O)O)ccc23)n(C)c1.[NaH] MOL27274
-COC1CCC(OS(C)(=O)=O)C(C)O1 MOL27275
-COC1CCC(C(C)O)OO1 MOL27276
-[O-][n+]1cc(SCc2ccccc2)ncc1SCc1ccccc1 MOL27277
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCO)c2c1 MOL27278
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCC(=O)O)c2c1 MOL27279
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(C)C)c2c1 MOL27280
-CCN(CC)CCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12 MOL27281
-NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL27282
-CC(C)CCCC(C)C1CCC2C3CCC4CC(O)(C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL27283
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(F)c(O)c(C(=O)O)c5)c5cc(F)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL27284
-C[n+]1c(C=Cc2ccc3c(c2)OCO3)ccc2ccccc21.[I-] MOL27285
-COc1ccc(C=Cc2sc3ccccc3[n+]2CCCCI)cc1OC.[I-] MOL27286
-COc1cc(C=Cc2sc3ccccc3[n+]2C)ccc1N(C)C.[I-] MOL27287
-CC1Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2C(C)N1Cc1ccccc1 MOL27288
-Brc1ccc(OCc2ccccc2)c2ccccc12 MOL27289
-COc1ccccc1-c1cc(B(O)O)ccc1OC MOL27290
-COC(=O)c1c(C)cc(C)cc1OC MOL27291
-COc1cc(C)cc2c1C(=O)C(Br)CC2 MOL27292
-COc1cc(C)cc2c1C(=O)C(Br)(Br)CC2 MOL27293
-COc1cc(C)c(Br)c2c1C(=O)C(Br)(Br)CC2 MOL27294
-COc1cc(C)cc2ccc(Br)c(O)c12 MOL27295
-COc1cc(C)c(Br)c2ccc(Br)c(O)c12 MOL27296
-CCN(CC)C(=O)Oc1c(Br)ccc2cc(C)cc(OC)c12 MOL27297
-CC(=O)Oc1ccc2ccccc2c1Br MOL27298
-Brc1c(OCc2ccccc2)ccc2ccccc12 MOL27299
-O=S(=O)(Oc1cccc2ccccc12)C(F)(F)F MOL27300
-C[Sn](C)(C)c1cccc2ccccc12 MOL27301
-c1ccc2c(-c3cccc4ccccc34)cccc2c1 MOL27302
-COc1ccc2ccccc2c1-c1cccc2ccccc12 MOL27303
-COc1ccc(Br)cc1-c1cc(Br)ccc1OC MOL27304
-C[N+](C)(C)C.O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(O)=[OH+])ccc3O)cc2S(=O)(O)=[OH+])c(S(=O)(O)=[OH+])c1)c1cc(S(=O)(O)=[OH+])ccc1O MOL27305
-CCC[N+](CCC)(CCC)CCC.O=S(O)(=[OH+])c1cc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(O)=[OH+])c3cccnc3c2O)cc1S(=O)(O)=[OH+] MOL27306
-COC(=O)C1=C(C)C=C(N2CCOCC2)C(C(=O)OC)C1c1ccccc1 MOL27307
-Cl.Oc1c(CN2CCOCC2)ccc2cccnc12 MOL27308
-O=[N+]([O-])c1cc(F)ccc1Sc1ccccc1 MOL27309
-O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)c1ccccc1 MOL27310
-O=C(O)c1ccc(S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 MOL27311
-O=C1c2ccccc2S(=O)(=O)c2c1cccc2[N+](=O)[O-] MOL27312
-CNc1c2c(c3nc4ccccc4c4c3c1N=C4)NCCC2=O MOL27313
-CN(C)c1ccc(C=Cc2sc3ccccc3[n+]2C)cc1.[I-] MOL27314
-CC1(C)COC2=C(C1)C(=O)c1ccccc1C2=O MOL27315
-CCCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F MOL27316
-CCCCCCCCCCCCC(F)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL27317
-NCCCCCCCCCCC(=O)O MOL27318
-Cc1cn(C2CC(Sc3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL27319
-Cc1cn(C2CC(S(=O)c3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL27320
-CC(=Cc1ccccc1)C=C(C#N)C(N)=O MOL27321
-N#CC(=CC=Cc1ccco1)C(N)=O MOL27322
-O=C(C=C(Nc1ccccc1O)c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 MOL27323
-COc1ccccc1NC(=CC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL27324
-Cc1ccc(C(=CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)Sc2ccccc2)cc1 MOL27325
-O=C(C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2)C(Br)C(=O)c1ccccc1 MOL27326
-CCCCCCCCCCCCCCCCNC(=O)C(O)=CC(=O)c1ccc(C)cc1 MOL27327
-Cc1ccc(S(=O)(=O)CN2C(=O)C(c3ccccc3)(c3ccccc3)C23OC(c2ccc(Cl)cc2)=CC3=O)cc1 MOL27328
-Cc1ccc(C(=O)Cc2nc3c(nc2O)c(C)nn3-c2ccccc2)c(C)c1 MOL27329
-COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)C1 MOL27330
-COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc(C)cc2)C1 MOL27331
-COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc([N+](=O)[O-])cc2)C1 MOL27332
-Cc1nn(-c2ccccc2)c2c1N=C(C(=O)O)CC(c1ccccc1)=N2 MOL27333
-Cc1ccc(C2=Nc3c(c(C)nn3-c3ccccc3)N=C(C(=O)O)C2)cc1 MOL27334
-O=C(C=C1Nc2ccccc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 MOL27335
-Cc1ccc(C(=O)C=C2Nc3ccccc3N=C2NC23CC4CC(CC(C4)C2)C3)cc1 MOL27336
-Cc1ccc(C(=O)C=C2Nc3ccccc3SC2=NCS(=O)(=O)c2ccc(C)cc2)cc1 MOL27337
-Cc1ccc(CS(=O)(=O)CN=C2Sc3ccccc3NC2=CC(=O)c2ccc(Cl)cc2)cc1 MOL27338
-O=C(C=C1Nc2ccc([N+](=O)[O-])cc2N=C1NC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL27339
-COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccccc4)cc3c2)cc1 MOL27340
-COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccccc4C)cc3c2)cc1 MOL27341
-COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccc(Cl)cc4)cc3c2)cc1 MOL27342
-O=C(Nc1ccc(Br)cc1)c1c(-c2ccccc2)c2ccc(O)cc2oc1=O MOL27343
-CC(=O)N(C(=O)CC(=O)N1N=C(C)C(N=Nc2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 MOL27344
-CC1=NN(C(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1 MOL27345
-CC(=O)N(C(=O)CC(=O)N1N=C(c2ccccc2)C(N=Nc2ccccc2[N+](=O)[O-])C1=O)c1ccc(Cl)cc1 MOL27346
-CC(NNC(=O)CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O MOL27347
-CC(=O)N(C(=O)CC(=O)NNCc1ccccc1Cl)c1ccc(Cl)cc1 MOL27348
-Nc1ccc(C=Cc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL27349
-O=C(NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O)C(=O)NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL27350
-CC1Oc2cc(O)cc(O)c2C(=O)C1C MOL27351
-CC1Oc2cc(O)cc(O)c2C(=O)C1C MOL27352
-Cc1nn(-c2ccccc2)c2c1CC(=O)Nc1ccccc1-2 MOL27353
-COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-].Cl MOL27354
-COc1ccc2nc3ccccc3c(NCCC[N+](C)(C)O)c2c1[N+](=O)[O-].Cl.[Cl-] MOL27355
-CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)cn1C MOL27356
-CCOC(=O)c1cc(-n2nnc3ccccc32)cn1C MOL27357
-CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c[nH]1 MOL27358
-CCOC(=O)c1c(Br)c(-c2ccc(OC)cc2)c(Br)n1C MOL27359
-CCOC(=O)c1c(Br)c(-c2ccc([N+](=O)[O-])cc2)c(Br)n1C MOL27360
-CCOC(=O)c1c(Br)c(-c2ccc(Br)cc2)c(Br)n1C MOL27361
-CCOC(=O)c1[nH]c(Br)c(-c2ccc(Br)cc2)c1Br MOL27362
-CCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br MOL27363
-CCOC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]1 MOL27364
-CCOC(=O)c1c(-c2ccc(OC)cc2)ccn1C MOL27365
-CCOC(=O)c1c(-c2ccc(Br)cc2)ccn1C MOL27366
-CCOC(=O)c1cc(-c2ccc(OC)cc2)c([N+](=O)[O-])n1C MOL27367
-CCOC(=O)c1cc(-c2cc(OC)c(OC)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1C MOL27368
-CCOC(=O)c1cc(-c2ccc(Cl)cc2)c([N+](=O)[O-])n1C MOL27369
-CCOC(=O)c1cc(-c2ccc(OC)cc2)c([N+](=O)[O-])[nH]1 MOL27370
-CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])[nH]1 MOL27371
-CCOC(=O)c1c(-c2ccccc2)c(C)cn1C MOL27372
-CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)cn1C MOL27373
-CCOC(=O)c1c(-c2ccccc2)c(OC)cn1C MOL27374
-CN1CNc2[nH]c(=N)n(C)c(=O)c2C1 MOL27375
-CCc1cc2c(oc3cc4ccccc4cc32)c(O)n1 MOL27376
-CCc1nc(O)c2oc3cc4ccccc4cc3c2c1C(=O)O MOL27377
-CCc1cc2c(oc3cc(C)ccc32)c(O)n1 MOL27378
-Cc1c(C(=O)O)c2cc3ccccc3cc2c(=O)n1C MOL27379
-Cc1nc(O)c2oc3cc4ccccc4cc3c2c1C(=O)O MOL27380
-Cc1cc2cc3ccccc3cc2c(O)n1 MOL27381
-CCc1cc2c(oc3c4ccccc4ccc23)c(O)n1 MOL27382
-CCc1cc2c(oc3cc(C)ccc32)c(=O)n1C MOL27383
-CC#CCCCC1(C)CCNC1=S MOL27384
-CC#CCCCC1(C)CCCNC1=S MOL27385
-O=C(Cc1ccc([N+](=O)[O-])cc1)OCC#CCOC(=O)Cc1ccc([N+](=O)[O-])cc1 MOL27386
-CC(=O)CC(=O)N1CCSC1=S MOL27387
-COC(C)C12C3(c4ccccc4)[Co]1(C#[O+])(C#[O+])(C#[O+])[Co]32(C#[O+])(C#[O+])C#[O+] MOL27388
-CCOC(=O)C(C(=O)c1ccccc1C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL27389
-COC=C1C(=O)OC(C)(C)OC1=O MOL27390
-C=CCCCC(C)(C(=O)OC(C)(C)C)C1=NOC(C)(C)C1 MOL27391
-CC(C)(C)OC(=O)N1CCCC1=O MOL27392
-CCOC(=O)C1C=C1C(C)(C)O MOL27393
-[N-]=[N+]=CC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 MOL27394
-C#CCOC(=O)C=[N+]=[N-] MOL27395
-CC(=O)C(=[N+]=[N-])C(=O)N(C)CCC#N MOL27396
-[N-]=[N+]=C(C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 MOL27397
-CCCCCC#CCOC(=O)C(=[N+]=[N-])P(=O)(c1ccccc1)c1ccccc1 MOL27398
-C#CC(C)(C)OC(=O)C(=[N+]=[N-])C(C)=O MOL27399
-CC(C)CC(C#CCCOC(=O)c1ccccc1)OC(=O)c1ccccc1 MOL27400
-CC(=O)C(=[N+]=[N-])C(=O)OCCOC(=O)C(=[N+]=[N-])C(C)=O MOL27401
-C=CCCC(=O)C(=[N+]=[N-])C(=O)CCC(=O)c1ccccc1 MOL27402
-O=S(=O)(C=CC=CS(=O)(=O)c1ccccc1)c1ccccc1 MOL27403
-CC1CCCCNC1=S MOL27404
-C#CC(O)CS(=O)(=O)c1ccccc1 MOL27405
-O=S(C=CC=CS(=O)(=O)c1ccccc1)c1ccccc1 MOL27406
-C[Si](C)(C)C#CC(O)CS(=O)c1ccccc1 MOL27407
-O=C(O)C1(C(O)c2ccccc2)SCCCS1 MOL27408
-CC1(CCC2C=CCC2)CCCNC1=S MOL27409
-C=C=C(CC1CCCCC1=O)S(=O)(=O)c1ccccc1 MOL27410
-C=C=C(CCC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 MOL27411
-C=CCC1(C2=C(C)C(=O)c3ccccc32)CCCS1 MOL27412
-C=CCC(SC)C1=C(C)C(=O)c2ccccc21 MOL27413
-C=CCSCCCC#Cc1ccccc1C(=O)OC MOL27414
-COc1nc2ccc(CNc3ccc(C(=O)O)cc3)cc2nc1OC MOL27415
-COc1cc(OCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC MOL27416
-Nc1nc2cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc2nc1-c1ccccc1 MOL27417
-O=C(CN1CCOCC1)NC1=NNC(=O)c2cccnc2N1 MOL27418
-N=C1NNC(=O)c2cccnc2N1 MOL27419
-CC(C)CC(=O)CC(C)C1(CCCOCc2ccccc2)C(=O)N2CCC3(CC24CCCC14)OCCO3 MOL27420
-S=C1C(CCCOCc2ccccc2)C2CCCC23CC2(CCN13)OCCS2 MOL27421
-CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C MOL27422
-Cc1cn(C2CC(F)C(COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O MOL27423
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCc3ccccc3)O2)c(=O)[nH]c1=O MOL27424
-CCCCCCCCCCCCC(Br)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL27425
-C1CCN(C2=[S+][Ru-2]3([S+]=C(N4CCCCC4)[SH+]3)[SH+]2)CC1 MOL27426
-C1CCN(C2=[S+][Ru][SH+]2)CC1 MOL27427
-CC1(CO)COc2ccccc2C1=O MOL27428
-CC1(C)CCCC2(C)C1CCC1(C)Oc3cc(O)c(O)cc3C(C#N)C12 MOL27429
-N=C(N)C1CN(CCCCCCCCCCN2CC(C(=N)N)C(=O)NC2=O)C(=O)NC1=O MOL27430
-COC(=O)C=C(SC=C(c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)OC)c(C(=O)OC)c21)C(=O)OC MOL27431
-O=C(C=C(SC=C(c1ccccc1)N1CCn2c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)c21)C(=O)c1ccccc1)c1ccccc1 MOL27432
-CC(C)C1NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C(OC2C)C(C(C)C)NC(=O)C2N=C1OC2C MOL27433
-CCCC(CCC)C1=[O+][Cu-4]234[O+]=C(C(CCC)CCC)[OH+][Cu-4]2([O+]=C(C(CCC)CCC)[OH+]3)([O+]=C(C(CCC)CCC)[OH+]4)[OH+]1 MOL27434
-c1ccc2c(c1)CCN2CCN1CCc2ccccc21 MOL27435
-OC(c1ccsc1)c1cc2ccccc2s1 MOL27436
-OC(c1cccs1)c1cc2ccccc2s1 MOL27437
-OC(c1ccoc1)c1cc2ccccc2s1 MOL27438
-OC(c1cc2ccccc2o1)c1cc2ccccc2s1 MOL27439
-COc1cc(OC)c(CSCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(OC)c1 MOL27440
-CSc1ccc(C(=C=C=C(c2ccc(SC)s2)c2ccc(SC)s2)c2ccc(SC)s2)s1 MOL27441
-CSc1ccc(C(=O)C(=O)c2ccc(SC)s2)s1 MOL27442
-CCOC(=O)C=CC1(CCOC(C)=O)CCCCC1 MOL27443
-CCOC(=O)C=CCC(C)(C)CCOC(C)=O MOL27444
-CCOC(=O)C=CCC(C)(C)COC(C)=O MOL27445
-CCOC(=O)C=CCCC(C)(C)COC(C)=O MOL27446
-COc1ccc(C(Br)=C2OC(=O)c3ccccc32)cc1 MOL27447
-O=C1OC(C(O)c2cccnc2)c2ccccc21 MOL27448
-O=C1OC(=C(Br)c2ccc(Cl)c(Cl)c2)c2ccccc21 MOL27449
-O=C(C=CC(=O)NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O)NN=Cc1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL27450
-Cc1nc2cccc(F)c2c(=O)n1-c1nnc(C(F)(F)F)s1 MOL27451
-Cc1nc2cccc(F)c2c(=O)n1-c1nnc(C2CC2)s1 MOL27452
-Cc1nc2cccc(F)c2c(=O)n1C1CCCCNC1=O MOL27453
-Cc1nc2ccc(Br)cc2c(=O)n1-c1nnc(C(C)(C)C)s1 MOL27454
-CCOP(=O)(OCC)C(C#N)Cc1ccco1 MOL27455
-CCOP(=O)(OCC)C(C#N)=C(C)c1ccco1 MOL27456
-CCOC(=O)c1c2cccccc-2nc1Nc1cccc2c(C)ccnc12 MOL27457
-CCOC(=O)c1c2cccccc-2nc1Nc1ccccc1N1C=CC(C)C(C(=O)OC)=C1C(=O)OC MOL27458
-COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(Cl)cc1)CC2 MOL27459
-COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(O)cc1)CC2 MOL27460
-COc1ccc(C=C2CCc3cc(OC)c(OC)cc3C2=O)cc1 MOL27461
-COc1cc2c(cc1OC)C(=O)C(=Cc1ccc([N+](=O)[O-])cc1)CC2 MOL27462
-COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(N(C)C)cc1)CC2 MOL27463
-CCCCCc1c(CCCC)c(O)nc2cc(CNCC(OC)OC)ccc12 MOL27464
-Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O MOL27465
-CC(=O)COP(=O)(OCC(C)=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL27466
-Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O MOL27467
-Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(OCC(=O)c3ccco3)OCC(=O)c3ccco3)O2)c(=O)[nH]c1=O MOL27468
-CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL27469
-CCOP(=O)(OCC)C(F)(F)CC1CCCCC1 MOL27470
-CCOP(=O)(OCC)C(F)(F)Cc1cnc(C)c2c1COC(C)(C)O2 MOL27471
-O=C1COc2ccc([N+](=O)[O-])cc2C(=O)C1 MOL27472
-Cc1nc2[nH]ncn2c(=O)c1CCO MOL27473
-Cc1nc2[nH]ncn2c(=O)c1CCCl MOL27474
-COc1cccc(NC(C)=C2CCOC2=O)c1 MOL27475
-O=c1c2c([nH]c3nccn13)CCCC2 MOL27476
-Cc1cc(=O)n2ccnc2[nH]1 MOL27477
-O=c1cc(-c2ccccc2)[nH]c2nccn12 MOL27478
-CC1=Nc2nc(Cl)cn2C(=O)C1(Cl)Cl MOL27479
-CCCCC(=O)c1c(O)nc2sccn2c1=O MOL27480
-O=C(Nc1nccs1)c1c(O)nc2sccn2c1=O MOL27481
-O=C(Nc1ccccc1F)c1c(O)nc2sccn2c1=O MOL27482
-N=c1ccn(C2OC(CO)C(F)C2F)c(=O)[nH]1 MOL27483
-O=C1OCC(Cc2ccc(O)c(O)c2)C1Cc1ccc(O)c(O)c1 MOL27484
-CCOC(=O)C12CCC(c3c(C)cccc3C)(O1)C(C(=O)OC)=C2C(=O)OC MOL27485
-CC(=O)CC(=O)N1CCOC1=O MOL27486
-CC(=O)C(=[N+]=[N-])C(=O)N1CCOC1=O MOL27487
-C=CCCCC1(C)CCCCNC1=O MOL27488
-O=C(OC(=C(c1ccccc1)c1ccccc1)N1CCCC1=S)C(c1ccccc1)c1ccccc1 MOL27489
-CC1(CCCC2(C)CCNC2=O)OCCO1 MOL27490
-C=CCCC1CCCCNC1=S MOL27491
-[N-]=[N+]=CC(=O)C1CCN(c2ccccc2)C1=O MOL27492
-C=CCc1ccccc1C1CC2(C(=O)OC)OC1C(C(=O)OC)=C2C(=O)OC MOL27493
-C=CCOC(=O)C1C2OC3(C(C(=O)OC)=C2C(=O)OC)c2ccccc2CCC13 MOL27494
-C=CCCC1(CC(Sc2ccccc2)P(=O)(c2ccccc2)c2ccccc2)OCCO1 MOL27495
-COC(=O)C1=C(C(=O)OC)C2(C)CCC(=O)C1O2 MOL27496
-CON=C(C)CCC#Cc1ccccc1C(=O)OC MOL27497
-CN(CC#N)C(=O)Cc1ccc([N+](=O)[O-])cc1 MOL27498
-COC(=O)c1ccccc1C#CCCCOS(C)(=O)=O MOL27499
-CCOC(=O)C1C(=O)CC1(C)C MOL27500
-[N-]=[N+]=CC(=O)C1CCCN1C(=O)c1ccccc1 MOL27501
-CC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C#N MOL27502
-C#CCOC(=O)C(=[N+]=[N-])C(=O)CC(C)C MOL27503
-CC(=O)C(=[N+]=[N-])C(=O)NCC#N MOL27504
-COC(=O)C1(CCC(=O)N(C)c2ccccc2)NNC2C(=O)N(c3ccccc3)C(=O)C21 MOL27505
-C=C(O)c1ccccc1C#Cc1ccccc1C(=O)OC MOL27506
-COC(=O)CCC1=NCC(C)(C)O1 MOL27507
-COC(=O)c1ccccc1C#CC#Cc1ccccc1C(=O)OC MOL27508
-COC(=O)C=CCC(=O)NS(C)(=O)=O MOL27509
-CCOC(=O)C12OC(CCC1=O)C(C(=O)OC)=C2C(=O)OC MOL27510
-O=C1C2C(C(=O)N1c1ccccc1)C1(c3ccccc3)CCC2(C(=O)c2ccccc2)O1 MOL27511
-C=CCC1(C)CCCN(Cc2ccccc2)C1=O MOL27512
-COc1cc(O)c2c(c1)OC(C)C(C)C2=O MOL27513
-COc1cc(O)c2c(c1)OC(C)C(C)C2=O MOL27514
-CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3=O MOL27515
-CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3=O MOL27516
-Cc1cn(C2CC(F)C(COC(=O)CCCCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O MOL27517
-COCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F MOL27518
-CCSCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F MOL27519
-O=C(O)CCCCCCCCCCCI MOL27520
-CC1(C)CC(=O)C(C(CC(c2ccccc2)c2cc3c(cc2O)OCO3)C2=C(O)CC(C)(C)CC2=O)=C(O)C1 MOL27521
-CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2CC(c1ccccc1)c1ccc(O)c(O)c1O MOL27522
-FC(F)C(F)(F)N1c2ccccc2Sc2ccccc21 MOL27523
-CON(C)c1nc(N)c(C#N)c(C#N)c1C#N MOL27524
-CON(C)c1nc(N(C)OC)nc(N(C)OC)n1 MOL27525
-C[N+](C)(N)c1nc(N)c(C#N)c(C#N)c1C#N.[Cl-] MOL27526
-COc1cc(NN=CC#N)cc(OC)c1OC MOL27527
-CC(C)(CCCCC(C)(C)C1NC(=O)N1)C1NC(=O)N1 MOL27528
-COCCCNc1nc(N)c(C#N)c(C#N)c1C#N MOL27529
-N#Cc1c(N)nc(Nc2cccc3ccccc23)c(C#N)c1C#N MOL27530
-CON(C)C(C#N)=C(C#N)C#N MOL27531
-CNC(=O)OC(C)CN1c2ccccc2Sc2ccc(Cl)cc21 MOL27532
-OCC1COc2cc(Cl)c(Cl)cc2O1 MOL27533
-Clc1nc(Cl)nc(Nc2cccc3ccccc23)n1 MOL27534
-Br.COc1ccc(NC2=NCCO2)c2ccccc12 MOL27535
-OCCN1c2ccccc2Sc2ccc(Cl)cc21 MOL27536
-C[N+](C)(CCO)CCN1c2ccccc2Sc2ccccc21.[I-] MOL27537
-N#CSCC1COc2ccccc2O1 MOL27538
-CCN(CC)CCN(C(=O)c1ccc(F)cc1)c1ccccc1N MOL27539
-CCN(CC)CCNc1ccc(Cl)cc1N MOL27540
-CCN(CCO)C(=O)C1(c2ccccc2)CCCCC1 MOL27541
-CCN(CC)CCNCc1cc(Cl)cc2c1OCOC2 MOL27542
-OCC(CO)CC1COc2ccccc2O1 MOL27543
-N=c1[nH]c2ccc3ccccc3c2[nH]1 MOL27544
-Br.c1ccc2c(CCNC3=NCCO3)cccc2c1 MOL27545
-CCOC(=O)N1CCN(C(=O)Nc2cccc3ccccc23)CC1 MOL27546
-Br.CC(C)(CCCCC(C)(C)NC1=NCCO1)NC1=NCCO1 MOL27547
-Br.CN(C1=NCCO1)c1cccc2ccccc12 MOL27548
-c1ccc(C(NC2=NCCO2)c2ccccc2)cc1 MOL27549
-CN(CCO)CCC1COc2ccccc2O1 MOL27550
-c1ccc(CSC(SCc2ccccc2)c2cccc3ccccc23)cc1 MOL27551
-FC(F)(F)c1nc2cc(Cl)c(SSc3cc4[nH]c(C(F)(F)F)nc4cc3Cl)cc2[nH]1 MOL27552
-CCN(CC)CCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21.Cl MOL27553
-CCN(CC)CCn1c(Cc2cccc(OC)c2)nc2ccccc21 MOL27554
-c1ccc(CSC2(SCc3ccccc3)CCCC2)cc1 MOL27555
-COc1ccc(N2C(=O)C(=O)N(C)C2=O)c2ccccc12 MOL27556
-COc1ccc(CN2C(=O)C(=O)N(C)C2=O)c2ccccc12 MOL27557
-CCN(CC)CCN1C(=O)C(=O)N(c2cccc3ccccc23)C1=O.Cl MOL27558
-CN(C)N1C(=O)C(=O)N(c2cccc3ccccc23)C1=O MOL27559
-COc1ccc(N2C(=O)C(=O)C3(CCCCC3)C2=O)c2ccccc12 MOL27560
-N#CCCC1C(C#N)C2(Cl)CC1(Cl)C(Cl)=C2Cl MOL27561
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCCCC4C3C2=O)cc1 MOL27562
-CCCCCCCC1C(C)c2c([nH]c3ccccc23)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21 MOL27563
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCCCCCCC4C3C2=O)cc1 MOL27564
-COc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1 MOL27565
-COc1ccc(N2C(=O)C3c4[nH]c5cccc(C)c5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL27566
-COc1ccc(N2C(=O)C3c4[nH]c5cc(C)ccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL27567
-COc1ccc(N2C(=O)C3c4[nH]c5c(C)cccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL27568
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(F)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL27569
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(Br)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL27570
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL27571
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)C3C2C1 MOL27572
-CC1=C2c3ccccc3N(C(=O)C=CC(=O)O)C2C2C(=O)OC(=O)C2C1 MOL27573
-O=Cc1cn(CCCCCCCCn2cc(C=O)c3ccccc32)c2ccccc12 MOL27574
-O=[N+]([O-])C=Cc1cn(CCCCCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12 MOL27575
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21 MOL27576
-O=c1ccc(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)c3ccccc3c(=O)c21 MOL27577
-CCCCC1c2c([nH]c3ccccc23)C2C(=O)N(c3ccc(OC)cc3)C(=O)C2C1CCC MOL27578
-COc1ccc2c(c1)C(=O)C(Nc1ccc(C=O)cc1)(OC)C(OC)(c1ccc([N+](=O)[O-])cc1)O2 MOL27579
-COC1(Nc2ccc(C=O)cc2)C(=O)c2ccccc2OC1(OC)c1ccc([N+](=O)[O-])cc1 MOL27580
-Cc1cc(CO)c(O)c(CN(CCO)CCO)c1 MOL27581
-Cc1cc(CO)c(O)c(CN(CC(=O)O)CC(=O)O)c1 MOL27582
-Cc1cc(CO)c(O)c(CNCc2cc(C)cc(CO)c2O)c1 MOL27583
-c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1 MOL27584
-c1ccc(CCN(CCc2ccccn2)CCc2ccccn2)nc1 MOL27585
-N#CC1C(=O)SC2c3ccccc3C(=O)c3ccccc3C12 MOL27586
-COc1cccc2c1[OH+][Cu-3]1(O)[O+]=C(c3ccccc3O)[N-][N+]1=C2 MOL27587
-COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Cu+2]23(O)(O)([OH+]C(C)=O)[n+]2cccc4ccc5ccc[n+]3c5c42)c1 MOL27588
-CCCCCCCC=[N+]1[N-]C(c2ccncc2)=[O+][Ni-2]12[O+]=C(c1ccncc1)[N-][N+]2=CCCCCCCC MOL27589
-COc1cccc2c1[OH+][Pd-2]1(O)[O+]=C(c3ccccc3O)[N-][N+]1=C2 MOL27590
-CC(=O)[OH+][Ni-4]1(O)(O)([n+]2ccccc2)[O+]=C(c2ccncc2)[N-][N+]1=Cc1ccoc1 MOL27591
-COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Zn-4]2(O)(O)(O)[OH+]C(C)=O)c1 MOL27592
-CC(=O)[OH+][Ni-4]12(O)([O+]=C(c3ccncc3)[N-][N+]1=Cc1ccsc1)[n+]1cccc3ccc4ccc[n+]2c4c31 MOL27593
-O[Zn-2]12[O+]=C([N-][N+]1=Cc1ccccc1)c1ccccc1[OH+]2 MOL27594
-CCCCCCCC=[N+]1[N-]C(c2ccncc2)=[O+][Co+2]1(O)(O)(O)(O)[OH+]C(C)=O MOL27595
-COc1cccc(C=[N+]2[N-]C(c3ccncc3)=[O+][Co-4]2(O)(O)([OH+]C(C)=O)[n+]2ccccc2)c1 MOL27596
-Cc1ccnc(NS(=O)(=O)c2ccc(N=Cc3ccccc3O)cc2)n1 MOL27597
-CC(=O)[OH+][Co-3]12([OH+]c3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)[OH+]c1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 MOL27598
-CC(=O)[OH+][Cu-4]12([OH+]c3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)[OH+]c1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 MOL27599
-CC(=O)[OH+][Cu-4]12(Oc3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3ncccn3)cc1)Oc1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2ncccn2)cc1 MOL27600
-CC(=O)[OH+][Co-3]12(Oc3ccccc3C=[N+]1c1ccc(S(=O)(=O)Nc3ncccn3)cc1)Oc1ccccc1C=[N+]2c1ccc(S(=O)(=O)Nc2ncccn2)cc1 MOL27601
-N#Cc1[nH]c(=O)n(-c2ccccc2)c1N MOL27602
-N#Cc1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1N MOL27603
-COc1ccc(-n2c(N)c(C#N)[nH]c2=O)cc1 MOL27604
-N#Cc1[nH]c(=O)n(-c2ccc(Cl)cc2)c1N MOL27605
-N#Cc1[nH]c(=O)n(-c2cccc3ccccc23)c1N MOL27606
-C=CCNc1nc2c(N)ncnc2s1 MOL27607
-C=CCNc1nc(C#N)c(N)s1 MOL27608
-N#Cc1nc(NC(=O)c2ccccc2)sc1N MOL27609
-COc1ccc(C=C2C(=O)C(c3ccccc3)N(c3ccccc3)C2=O)cc1OC MOL27610
-CCN(C=C1C(=O)C(c2ccccc2)N(c2ccccc2)C1=O)CC MOL27611
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C1c1ccccc1 MOL27612
-O=C1C(C(c2ccccc2)N2CCOCC2)=C(O)C(c2ccccc2)N1c1ccccc1 MOL27613
-O=C1C(C(c2ccc([N+](=O)[O-])cc2)N2CCOCC2)=C(O)C(c2ccccc2)N1c1ccccc1 MOL27614
-CN(C)C(C1=C(O)C(c2ccccc2)N(c2ccccc2)C1=O)N1CCOCC1 MOL27615
-O=C1c2c[nH]nc2C(c2ccccc2)N1c1ccccc1 MOL27616
-CCOC(=O)C1(C(=O)OCC)CCC(C(OC)OC)C(CC(=O)OC)C1 MOL27617
-CCN1C(=O)CSC1=NNC(=O)C(O)(c1ccccc1)C1C=CC=CC1 MOL27618
-C=CCN1C(=O)CSC1=NNC(=O)C(O)(c1ccccc1)c1ccccc1 MOL27619
-Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL27620
-CCCCCC=C(c1cc(Cl)c(O)c(C(=O)NO)c1)c1cc(Cl)c(O)c(C(=O)NO)c1 MOL27621
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)NO)c5)c5cc(Cl)c(O)c(C(=O)NO)c5)CCC4(C)C3CCC12C MOL27622
-O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(c1ccccc1)C1CCCCC1.O=C(O)C(=O)O MOL27623
-CC1CCN(CCCCCNC(=O)C(c2ccccc2)C2CCCCC2)CC(C)(C)C1 MOL27624
-O=C(O)C(=O)O.c1ccc(C(CNCCN2CCCCCC2)C2CCCCC2)cc1 MOL27625
-Cl.O=C(NCCCCCN1CCC2(CCCCC2)CC1)C(C1CCCCC1)C1CCCCC1 MOL27626
-Cl.O=C(NCCCN1CC2CCCC2C1)C(c1ccccc1)c1ccccc1 MOL27627
-Cl.O=C(NCCCCCCCN1CCCCCCC1)C(C1CCCCC1)C1CCCCC1 MOL27628
-Cl.O=C(NCCCN1CC2CCCC2C1)C(C1CCCCC1)C1CCCCC1 MOL27629
-Cl.O=C(NCCCCN1CC2CCCC2C1)C(C1CCCCC1)C1CCCCC1 MOL27630
-O=C(CC(c1ccccc1)c1ccccc1)NCCCCN1CCCCCCC1.O=C(O)C(=O)O MOL27631
-CCC(C(=O)NC1CN2CCC1CC2)c1ccccc1 MOL27632
-CCc1ccccc1C(C(=O)NC1CN2CCC1CC2)c1ccsc1 MOL27633
-O=C(NC1CN2CCC1CC2)C(c1ccc(F)cc1)c1ccc(F)cc1 MOL27634
-COc1ccccc1C(C(=O)NC1CN2CCC1CC2)c1ccsc1 MOL27635
-Cl.O=C(NCCCCN1CCCC1)C(c1cc2ccccc2s1)C1CCCCC1 MOL27636
-O=C(NCCCCN1CCCCCC1)C1c2ccccc2-c2ccccc21 MOL27637
-O=C(NCCCCCCCN1CCCCCC1)C1c2ccccc2-c2ccccc21 MOL27638
-Br.c1ccc2c(c1)C(=NCCCN1CCCCCCC1)c1cccn1-2 MOL27639
-CCC1(O)N=C(c2ccccc2)c2ccccc2-n2cccc21 MOL27640
-CCOC(=O)C1(O)N=C(c2ccccc2)c2ccccc2-n2cccc21 MOL27641
-OC1(c2ccccc2)N=C(c2ccccc2)c2ccccc2-n2cccc21 MOL27642
-OC1(CN2CCCCC2)N=C(c2ccccc2)c2ccsc2-n2cccc21 MOL27643
-O=C(NCC1(O)N=C(c2ccc(F)cc2)c2ccsc2-n2cccc21)c1ccc(Cl)cc1Cl MOL27644
-O=C(NCCN1CCOCC1)C1(O)N=C(c2ccccc2)c2ccsc2-n2cccc21 MOL27645
-Cl.OC1(CN2CCOCC2)N=C(c2ccccc2)c2ccsc2-n2cccc21 MOL27646
-CC1(C)NC(c2ccccc2)c2ccsc2-n2cccc21.Cl MOL27647
-Cl.Fc1ccc(C2NC(c3ccc(Cl)cc3)c3cccn3-c3sccc32)cc1 MOL27648
-O=C1OC(c2ccccc2)c2ccsc2-n2cccc21 MOL27649
-O=C(N=C(c1ccc(F)cc1)c1ccsc1-n1cccc1)Nc1ccccc1 MOL27650
-O=CC(O)C(O)C(O)C(O)COP(=O)(O)Cc1ccccc1 MOL27651
-O=P(O)(Cc1ccccc1)OCC1(O)OCC(O)C(O)C1O MOL27652
-N.O=CC(O)C(O)C(O)C(O)COP(=O)(O)Cc1ccccc1 MOL27653
-O=C1c2ccccc2-c2nnc(-c3ccccc3)cc21 MOL27654
-COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 MOL27655
-O=C1c2ccccc2-c2nnc(-c3ccc(Cl)cc3)cc21 MOL27656
-O=C1c2ccccc2-c2nnc(-c3ccc([N+](=O)[O-])cc3)cc21 MOL27657
-Cc1cc2c(nn1)-c1ccccc1C2=O MOL27658
-O=C1c2ccccc2-c2nnc3c(c21)Cc1ccccc1C3 MOL27659
-COc1nc2c(c(=O)n1C)NC(C(O)C(O)CO)C=N2 MOL27660
-COc1nc2c(c(=O)n1C)NC(C(O)C(O)CO)C=N2 MOL27661
-COc1nc2nccnc2c(=O)n1C MOL27662
-Cn1c(=O)[nH]c2nccnc2c1=O MOL27663
-COc1nc2c(c(=O)n1C)N(C(C)=O)C1C(N2)OCC(OC(C)=O)C1OC(C)=O MOL27664
-Cc1cn(CC(=O)NCCO)c(=O)[nH]c1=O MOL27665
-Cc1cn(CC(=O)NCCCO)c(=O)[nH]c1=O MOL27666
-Cc1cn(CC(=O)NCCCCO)c(=O)[nH]c1=O MOL27667
-N=c1ccn(CC(=O)NCCO)c(=O)[nH]1 MOL27668
-N=c1ccn(CC(=O)NCCCO)c(=O)[nH]1 MOL27669
-N=c1ccn(CC(=O)NCCCCO)c(=O)[nH]1 MOL27670
-Nc1ncnc2c1ncn2CC(=O)NCCO MOL27671
-Nc1ncnc2c1ncn2CC(=O)NCCCO MOL27672
-Nc1ncnc2c1ncn2CC(=O)NCCCCO MOL27673
-O=P(O)(O)CCON=Cc1cnc(O)nc1O.[NaH] MOL27674
-O=c1ccn(CC=NOCCP(=O)(O)O)c(=O)[nH]1.[NaH] MOL27675
-CC1=NC(C)(C)N(O)C1(C)C MOL27676
-C[C-]1[N+](=O)C(C)(C)N(O)C1(C)C MOL27677
-CC1(C)N=C(C=NO)C(C)(C)N1O MOL27678
-CC(=O)O.ON=C1CCCCC1NO MOL27679
-CC1(C)N=C([C-](Cl)[N+](=O)C(=O)c2ccc(F)cc2)C(C)(C)N1O MOL27680
-CC1(C)[C-](C=NO)[N+](=O)C(C)(C)N1O MOL27681
-C=C1N(C=O)C(C)(C)N(O)C1(C)C MOL27682
-CC1=NC(C)(C)[N+]([O-])=C1 MOL27683
-CC(C)(C=NO)[N+](=O)[CH-]c1ccccc1 MOL27684
-CC(C)(NO)C(=NO)c1ccco1 MOL27685
-CC(=O)O.ON=C1CCCCCC1NO MOL27686
-CC12CCCCC1=[N+]([O-])C(C)(C)N2O MOL27687
-Oc1c(N2CCCCC2)cc(-c2cc(N3CCCCC3)c(O)c3ccccc23)c2ccccc12 MOL27688
-CCC(=NNC(N)=S)C(C)=NO MOL27689
-CC1=[N+]([O-])C2(CCCC2)N(O)C1(C)C MOL27690
-C1=CC2=CC=CC3c4nc5ccc6ccccc6c5nc4C(=C1)C23 MOL27691
-CC1(C)CC(C#Cc2ccccc2)CC(C)(C)N1O MOL27692
-CC1(C)N[C-](C(=O)c2ccccc2)[N+](=O)C1(O)c1ccccc1 MOL27693
-CC1(C)[N+]([O-])=[N+]([O-])C1(Br)c1ccccc1 MOL27694
-CC1(C)C2CC(c3ccncc3)ON2C(C)(C)N1O MOL27695
-COC(=O)C1ON2C(C1C(=O)OC)C(C)(C)N(O)C2(C)C MOL27696
-CC1(C)[CH-][N+](=O)C(C)(C)N1 MOL27697
-CC[C-]1[N+](=O)C(C)(C)NC1(C)C MOL27698
-CC1(C)[C-](C#N)[N+](=O)C(C)(C)N1O MOL27699
-CC1(C)N=C([C-](C#N)[N+](=O)C(=O)c2ccccc2)C(C)(C)N1O MOL27700
-CC1(C)N=C(C(Cl)=[N+]([O-])C(=O)c2ccc(Cl)cc2)C(C)(C)N1O MOL27701
-CC1(C)NC(=CC=O)C(C)(C)N1O MOL27702
-CC1(C)NC(C)(C)C(=NO)C(=NO)C1=NO MOL27703
-O=[N+]([O-])C1([N+](=O)[O-])CCC([N+](=O)[O-])([N+](=O)[O-])c2nn(-c3ccccc3)nc21 MOL27704
-n1nc2c([nH]1)c1nn[nH]c1c1nn[nH]c21 MOL27705
-O=C(O)c1nn(-c2ccccc2)nc1-c1nn(-c2ccccc2)nc1C(=O)O MOL27706
-O=[N+]([O-])C1=C[C-]2C(=[N+]([O-])C3(CCCCC3)[N+]2=O)C=C1 MOL27707
-ON=C1CCCc2nonc21 MOL27708
-NN=C1CCCc2nonc21 MOL27709
-ON=C1CCc2nonc2C1=NNc1ccccc1 MOL27710
-NN=C1C(=NO)CCc2nonc21 MOL27711
-O=[N+]([O-])C1([N+](=O)[O-])CCCc2nonc21 MOL27712
-O=C1NCCCc2nonc21 MOL27713
-NCCCc1nonc1C(=O)O MOL27714
-CC(=O)c1ccc(N=Nc2ccc3nonc3c2N)cc1 MOL27715
-Cc1noc(C)c1N=Nc1ccc2nonc2c1N MOL27716
-c1ccc(-n2nc3ccc4nonc4c3n2)cc1 MOL27717
-COc1cc2nn(-c3ccccc3)nc2c2nonc12 MOL27718
-CN(C)C=Nc1ccc2nonc2c1 MOL27719
-CN(C)C=Nc1c(Br)cc(Br)c2nonc12 MOL27720
-NN=C1CCCc2c1no[n+]2[O-] MOL27721
-COC1(OC)CCCc2c1no[n+]2[O-] MOL27722
-COC1(OC)c2no[n+]([O-])c2CCC1O MOL27723
-[O-][n+]1onc2c1C(=NO)CCC2 MOL27724
-O=[N+]([O-])C1([N+](=O)[O-])CC2(Cc3c1no[n+]3[O-])OCCO2 MOL27725
-[O-][n+]1onc2c1CCC(=NO)C2=NNc1ccccc1 MOL27726
-O=[n+]1onc2[c-]1-c1nonc1CC2 MOL27727
-O=[n+]1onc2c3nn(-c4ccccc4)nc3cc[c-]21 MOL27728
-COC1(OC)c2no[n+]([O-])c2C(OC)(OC)[c-]2c1no[n+]2=O MOL27729
-CC(=O)ON=C1C=Cc2c(no[n+]2[O-])C1=O MOL27730
-N#CC(C#N)=Cc1ccccc1O MOL27731
-COc1ccc(CNC(=N)N)c2ccccc12.O=S(=O)(O)O MOL27732
-CCOC(=O)CN1C(=O)C(=O)N(c2ccc(OC)c3ccccc23)C1=O MOL27733
-COc1cc(N2C(=O)C(=O)C3(CCCCC3)C2=O)cc(OC)c1OC MOL27734
-N#CC(C#N)=Cc1ccccc1C(=O)O MOL27735
-N#CC(C#N)=Cc1ccc2c(c1)OC(Cl)O2 MOL27736
-Cc1nnc(Nc2ccccc2)o1 MOL27737
-N#CC12C(=O)NC(=O)C1(C#N)C1C=CC2CC1 MOL27738
-COc1ccc(N2C(=O)C(=O)C3(CCCCC3)C2=O)c(OC)c1OC MOL27739
-CCOC1OC(C)(C=C(C#N)C#N)CCC1C MOL27740
-CCCCCCCCCCCC(=O)NCc1ccc(OC(=O)CCCCCCCCCCC)c(OC)c1 MOL27741
-COC(=O)c1ccccc1NC(=S)NN(C)C MOL27742
-CC1CCC2(CC1)NC1=C(CC(C)CC1)C1=C2CC(C)CC1 MOL27743
-CC1CCC2(CC1)N=C1CCC(C)CC1C1(CCC(C)CC1)N2 MOL27744
-C=CCc1cc(C=C(C#N)C#N)cc(OC)c1O MOL27745
-N#CC(C#N)=Cc1c(O)ccc2ccccc12 MOL27746
-CC(=O)Nc1cc2c3c(c1)CCCN3CCC2 MOL27747
-CN(C)NC(=S)Nc1ccccc1Br MOL27748
-Oc1ccc(C2(c3ccc(O)cc3)CCCC2)cc1 MOL27749
-CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNc1ccccc1 MOL27750
-CC(CC(O)(C(F)(F)Cl)C(F)(F)Cl)=NNC(N)=S MOL27751
-NC(=S)NNCC(=O)CC(O)(C(F)(F)F)C(F)(F)Cl MOL27752
-COc1cc(CNC(=O)CCCCCCCCCCSC#N)ccc1O MOL27753
-O=C1c2ccccc2CCC1C(O)(C(F)(F)F)C(F)(F)F MOL27754
-CC(O)(C#N)CC(O)(C(F)(F)Cl)C(F)(F)Cl MOL27755
-CCN(CC)CCOC(=O)CCN1CC2CCC(CC2)C1 MOL27756
-CC(C)C(C=O)C(O)(C(F)(F)F)C(F)(F)F MOL27757
-COc1ccc(NC2=NCCO2)c2c1CCCC2 MOL27758
-CC1=CC(=NN(C)C)C(C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 MOL27759
-O=c1[nH]c(=S)[nH]n1C(=S)n1[nH]c(=S)[nH]c1=O MOL27760
-Cc1cc(CC(O)(C(F)(F)F)C(F)(F)F)cc(CC(O)(C(F)(F)F)C(F)(F)F)n1 MOL27761
-COC(=O)CN1CCN(c2cccc3c2CCCC3)CC1 MOL27762
-COC(=O)C=CN1CC1 MOL27763
-C1CCCN(NC2=NCCO2)CC1 MOL27764
-COc1cc(OC)c(NC2=NCCO2)cc1Cl MOL27765
-COc1ccc(OC)c(NC2=NCCO2)c1 MOL27766
-CSc1ccccc1NC1=NCCO1 MOL27767
-CN(C)c1cccc(NC2=NCCO2)c1 MOL27768
-Oc1cccc2c1N1CCN2CC1 MOL27769
-COc1cc2c(cc1OC)C1CC3(CCN1CC2)C(=O)N(c1ccccc1)C(=O)N3C(C)=O MOL27770
-CC(C)OC(=O)OCSc1ccccc1N=Cc1cccc([N+](=O)[O-])c1 MOL27771
-CC(=O)N(C)n1cn[n+](CC(=O)OC(C)(C)C)c1.[Br-] MOL27772
-CSc1n(N)cn[n+]1CC(=O)OC(C)(C)C.[I-] MOL27773
-CCOC(=O)c1c(-c2ccccc2)oc(=O)c(Cc2cccc3cccnc23)c1-c1ccccc1 MOL27774
-CCOC(=O)C1=C(C)C(C(=O)OC)C(=Cc2cccc3cccnc23)C1=O MOL27775
-CC(=O)N1C(=O)CC2(N=C(C)CC2=O)c2ccccc21 MOL27776
-CNC(=O)N(C)C(=O)c1ccccc1C(=O)N(C)C(=O)NC MOL27777
-CN(C(=O)c1ccc(Cl)s1)C(=S)N(C)C(=O)c1ccc(Cl)s1 MOL27778
-O=[N+]([O-])c1ccc(CSC2=C(c3ccc(Cl)cc3)SC(=C3SC(SCc4ccc([N+](=O)[O-])cc4)=C(c4ccc(Cl)cc4)S3)S2)cc1 MOL27779
-N#Cc1ccc(CSC2=C(c3ccc(Cl)cc3)SC(=C3SC(SCc4ccc(C#N)cc4)=C(c4ccc(Cl)cc4)S3)S2)cc1 MOL27780
-COc1c2occc2c(OC)c2c(=O)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)coc12 MOL27781
-CCCCCCc1nn2c(-c3ccncc3)nnc2s1 MOL27782
-O=C(O)COCC(=O)N(CCOCCN(Cc1ccccc1)C(=O)COCC(=O)O)Cc1ccccc1 MOL27783
-c1ccc2c(c1)nc1n2C2CCC(C2)N1 MOL27784
-Cc1nnc2cc(C(=O)O)c3ccccc3n2c1=O MOL27785
-O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc3ccccc3c(=O)n2c2ccccc12 MOL27786
-CCOC(=O)c1cc2nc3ccccc3c(=O)n2c2ccccc12 MOL27787
-CNC(=O)c1cc2nc3ccccc3c(=O)n2c2ccccc12 MOL27788
-O=C1NC(=O)C(F)(n2cc(F)c(=O)[nH]c2=O)C(O)N1 MOL27789
-Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C12CC3CC(CC(C3)C1)C2 MOL27790
-CCN(CCCl)c1cc(C(=O)NCCCN(C)CCCNC(=O)c2cc(N(CC)CCCl)c([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-].Cl MOL27791
-CCN(CCCl)c1cc(C(=O)Nc2cc(NC(=O)c3cc(N(CC)CCCl)c([N+](=O)[O-])cc3[N+](=O)[O-])cc(C(=O)NCCN(C)C)c2)c([N+](=O)[O-])cc1[N+](=O)[O-].Cl MOL27792
-Cc1ncc([N+](=O)[O-])n1CCN(C)CCCCn1ccnc1[N+](=O)[O-] MOL27793
-Cc1ncc([N+](=O)[O-])n1CC[N+](C)(O)CCCCn1ccnc1[N+](=O)[O-].[Cl-] MOL27794
-NC(CSS(=O)(=O)c1ccccc1)C(=O)O MOL27795
-Oc1c(O)c(Cc2ccccc2)c(Cc2ccccc2)c(Cc2ccccc2)c1Cc1ccccc1 MOL27796
-Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O MOL27797
-CCCCCCCCCc1c(O)c(O)c(CCCCCCCCC)c(CCCCCCCCC)c1CCCCCCCCC MOL27798
-CCCCCCCCCc1cc(O)c(O)cc1CCCCCCCCC MOL27799
-CCCC(CC)c1c(O)c(O)c(C(CC)CCC)c(C(CC)CCC)c1C(CC)CCC MOL27800
-CCCC(CC)c1cc(O)c(O)cc1C(CC)CCC MOL27801
-CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=O)O MOL27802
-CC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C56CCC(O)(OC5)C(C)(C)C6CCC4(C)C3(C)CCC12C(=O)O MOL27803
-COc1cc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)C(C)C4C2=CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)ccc1O MOL27804
-COc1ccc(C=NNC(=N)NO)c(O)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL27805
-COc1cc(O)c(C=NNC(=N)NO)c(OC)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL27806
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cc(I)cc(I)c1O MOL27807
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1cnc2cc(C(F)(F)F)ccc2c1O MOL27808
-CC1CC(C)CC(NC2=NCCO2)C1 MOL27809
-O=C1CCCC1C(O)(C(F)(F)F)C(F)(F)F MOL27810
-c1cc2c(cc1NC1=NCCO1)CCCC2 MOL27811
-N=C(N)NCCN1CC2CCC(CC2)C1.O=S(=O)(O)O MOL27812
-CN(C)C(=O)NCCN1CCCCCc2ccccc21 MOL27813
-CCNc1cc2c3c(c1)CCCN3CCC2.Cl MOL27814
-O=C1C(C(O)(C(F)(F)F)C(F)(F)F)CCC1C(O)(C(F)(F)F)C(F)(F)F MOL27815
-OC1CCCC1C(O)(C(F)(F)F)C(F)(F)F MOL27816
-OC1c2ccccc2CCC1C(O)(C(F)(F)F)C(F)(F)F MOL27817
-CN1C=COC1N=C1CCCCC1 MOL27818
-CC(C(O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F MOL27819
-CC(C)(C)C(O)CC(O)(C(F)(F)F)C(F)(F)F MOL27820
-O=C(NCCOC(=O)OCCNC(=O)NC1CCCCC1)NC1CCCCC1 MOL27821
-O=C(OCCNC(=O)N1CC1)OCCNC(=O)N1CC1 MOL27822
-Cc1cc(NC2=NCCO2)c2c(c1C)CCCC2 MOL27823
-Cc1cccc(NC2=NCCO2)c1Cl MOL27824
-CC(NC1=NCCO1)c1cccs1 MOL27825
-Cc1ccc(C(=O)CC(O)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] MOL27826
-COc1ccc2c3c1OC1C4(OC)CCC5(CC4C(C)=O)C(C2)N(C)CCC315.Cl MOL27827
-CC(=O)C(C(C)=O)=C1CCCC(O)O1 MOL27828
-CSc1c(S(C)=O)c2ccccc2n1C MOL27829
-O=S(=O)(CCn1c(Sc2ccccc2)c(Sc2ccccc2)c2ccccc21)c1ccccc1 MOL27830
-CCSCCCCCCCCCCCC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F MOL27831
-Cc1cn(C2CC(N=[N+]=[NH2+])C(COC(=O)CCCCCCCCCCCI)O2)c(=O)[nH]c1=O MOL27832
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCOc3ccccc3)O2)c(=O)[nH]c1=O MOL27833
-O=C(O)CCCCCCCCCCCO MOL27834
-Cc1cc(O)cc(O)c1C(=O)OC1(C)C(=O)C=C2C=C(C=CC(=O)O)OC=C2C1=O MOL27835
-O=C1c2ccc3cc(CCl)cc(O)c3c2C(=O)c2cccc(O)c21 MOL27836
-COc1cccc2c1C(=O)c1ccc3cc(CO)cc(O)c3c1C2=O MOL27837
-COc1cccc2c1C(=O)c1ccc3cc(CCl)cc(O)c3c1C2=O MOL27838
-C=Cc1ccccc1C1(O)C=CC(OC)(OC)C=C1 MOL27839
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc(O)cc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc(O)cc1O.[NaH] MOL27840
-Cc1cc(C)c(-c2noc(=NS(=O)(=O)c3ccc(Cl)cc3)o2)c(C)c1 MOL27841
-CC(C)Oc1ccc(CNC2=NCCO2)c2ccccc12 MOL27842
-CC1=COC(C)(C=C(C#N)C#N)CC1 MOL27843
-I.N=C(NN)Nc1cccc2ccccc12 MOL27844
-O=CNNC(=O)Nc1ccc(Cl)cc1 MOL27845
-CCOc1ccc2ccccc2c1NC1=NCCO1 MOL27846
-Cc1ccc2ccccc2c1NC1=NCCO1 MOL27847
-N#CCN1CCCCCc2ccccc21 MOL27848
-O=CNNC(=O)Nc1cccc2ccccc12 MOL27849
-O=c1n(-c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)n1-c1ccc(Cl)c(Cl)c1 MOL27850
-N#CCCC(CC#N)N1CCN(CCO)CC1 MOL27851
-CC(=O)CCC(=O)CC(O)(C(F)(F)F)C(F)(F)F MOL27852
-O=C(CCC(=O)CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F MOL27853
-COc1cc(C(C[N+](=O)[O-])SC(C)=O)ccc1OCc1ccccc1 MOL27854
-CC(=O)SC(C[N+](=O)[O-])c1ccc2c(c1)OCO2 MOL27855
-C=CCCCCCCCCC(=O)ON(Cc1ccc(O)c(OC)c1)C(=O)C(F)(F)F MOL27856
-O=[N+]([O-])CC(SCc1ccccc1)c1ccc2c(c1)OCO2 MOL27857
-COc1cc(CNC(=S)CCCCCCCCCCC(C)C)ccc1O MOL27858
-COC(=O)CCN(CCC(=O)OC)C1CC1 MOL27859
-COC(=O)CC[N+]1([O-])CC1 MOL27860
-CCC=CC(=O)CC(O)(C(F)(F)F)C(F)(F)F MOL27861
-CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F MOL27862
-CC(C)=CC(CC(O)(C(F)(F)F)C(F)(F)F)=NO MOL27863
-CN(C1=NCCO1)c1cccc2c1CCCC2 MOL27864
-O=c1cc(CC(O)(C(F)(F)Cl)C(F)(F)Cl)[nH]n1-c1ccccc1 MOL27865
-COc1ccccc1CC(=O)C(O)(C(F)(F)F)C(F)(F)F MOL27866
-CC1=NS(=O)(=O)NC(C)(C)C1 MOL27867
-c1cc(C2=NCCO2)c2ccsc2c1 MOL27868
-c1ccc2c(c1)-c1ccccc1C2NC1=NCCO1 MOL27869
-c1ccc2cc3c(NC4=NCCO4)cccc3cc2c1 MOL27870
-CCOC(=O)C(CC#Cc1ccc(C#CCC(NC(C)=O)C(=O)OCC)cc1)NC(C)=O MOL27871
-Cn1c(=O)oc2cc(Br)ccc21 MOL27872
-CSc1nc(C)cc(N(C)c2ccccc2)n1 MOL27873
-Cc1cc(N(C)c2ccccc2)nc(N(C)c2ccccc2)n1 MOL27874
-O=c1[nH]c2ccc(Cl)cc2o1 MOL27875
-c1cc2c(cc1NC1=NCCO1)OCO2 MOL27876
-CN(NC1=NCCO1)c1ccc2ccccc2c1 MOL27877
-CC1(C)C2CCC3CC(CCC#N)CCC3C21C#N MOL27878
-c1cc(NC2=NCCO2)c2c(c1)OCO2 MOL27879
-COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(C)=O)C(C2)N(C)CCC315 MOL27880
-COc1ccc(C(O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 MOL27881
-CC(NC1=NCCO1)c1ccco1 MOL27882
-c1cc2c(c(NC3=NCCO3)c1)CCC2 MOL27883
-Cc1ccc(NC2=NCCO2)c2c1CCC2 MOL27884
-COc1ccc2c3c1OC1C4(OC)CCC5(CC4C(C)(C)O)C(C2)N(C)CCC315 MOL27885
-COc1cccc(OC)c1NC1=NCCO1 MOL27886
-CC(C)=NOC(=O)Nc1cccc2c1OCO2 MOL27887
-c1csc(C(NC2=NCCO2)C2CC2)c1 MOL27888
-CC(Cc1ccccc1)NC1=NCCO1 MOL27889
-CC(C)(NC1=NCCO1)c1ccccc1 MOL27890
-c1ccc(C(NC2=NCCO2)C2CC2)cc1 MOL27891
-O=C(CC(O)(C(F)(F)F)C(F)(F)F)C(CCCl)C(O)(C(F)(F)F)C(F)(F)F MOL27892
-OC(c1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F MOL27893
-CC(=O)OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F MOL27894
-CCC(NC1=NCCO1)c1cccs1 MOL27895
-CC(C)(Cc1ccccc1)NC1=NCCO1 MOL27896
-CC(C)CCC[Pb](CCCC(C)C)(CCCC(C)C)OC(=O)C(Cl)(Cl)Cl MOL27897
-CC[Pb](CC)(CC)OC(=O)C(F)(F)F MOL27898
-CC(O)C(=O)O[Pb](C)(C)C MOL27899
-CC[Pb](CC)(CC)OC(=O)COc1ccc(Cl)cc1Cl MOL27900
-Cc1cc2nc(C=C(C(F)(F)F)C(F)(F)F)sc2cc1C MOL27901
-C1COC(NC(C2CC2)C2CC2)=N1 MOL27902
-O=C(CC(O)(C(F)(F)F)C(F)(F)F)C(c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F MOL27903
-CC(=O)OC12CC(C(F)(F)F)(C(F)(F)F)OC1(OC(C)=O)CC(C(F)(F)F)(C(F)(F)F)O2 MOL27904
-C=CCCC(=O)CC(O)(C(F)(F)F)C(F)(F)F MOL27905
-Cc1cc2nc(CC(C(F)(F)F)C(F)(F)F)oc2cc1C MOL27906
-N#CC(C#N)=CN1CCCCC1 MOL27907
-N#CC(C#N)=CN1CCOCC1 MOL27908
-CCOC(C[Se]CC(OCC)OCC)OCC MOL27909
-CC(NC1=NCCO1)c1ccsc1 MOL27910
-c1sc(NC2=NCCO2)c2c1CCCC2 MOL27911
-COC(=O)C1CN=CN1CCc1ccccc1 MOL27912
-CC(=O)OC(Cc1cc(C=C(C(F)(F)F)C(F)(F)F)cc(C)n1)(C(F)(F)F)C(F)(F)F MOL27913
-O=C(CN1CCCCC1)CC(O)(C(F)(F)F)C(F)(F)F MOL27914
-O=C(CN1CCOCC1)CC(O)(C(F)(F)F)C(F)(F)F MOL27915
-CN(CCO)CC(=O)CC(O)(C(F)(F)F)C(F)(F)F MOL27916
-CC(=O)C(N1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F MOL27917
-C=C1N(S(=O)(=O)c2ccc(C)cc2)C(=O)OCC12CCCC2 MOL27918
-ON=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 MOL27919
-CS(=O)(=O)CS(C)(=O)=O MOL27920
-CC1=CC(=O)c2cccc(NC3=NCCO3)c21 MOL27921
-C=C(Br)C[N+]12CN3CN(CN(C3)C1)C2.[Br-] MOL27922
-CCOC(=O)C1SCCC1(C)O MOL27923
-CS(=O)(=O)C(=Cc1ccccc1Cl)S(C)(=O)=O MOL27924
-CCCCCC(C=NNc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F MOL27925
-CCCCCC(CC=NN(C)C)C(O)(C(F)(F)F)C(F)(F)F MOL27926
-CC(c1ccccc1)n1cncc1C(=O)NN1CCN(C)CC1 MOL27927
-Cc1cc2ccccc2c[n+]1CC(=O)CC([O-])(C(F)(F)F)C(F)(F)F MOL27928
-CCC(C)(C)C(CC(O)(C(F)(F)F)C(F)(F)F)=NO MOL27929
-CN(C)N=C(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 MOL27930
-COc1cccc(C(CC(O)(C(F)(F)F)C(F)(F)F)=NN(C)C)c1 MOL27931
-CC1(C)CC(=O)C2=C(C1)C(c1ccccc1Cl)C1C(=O)CC(C)(C)CC1(O)O2 MOL27932
-CC1(C)CCCCC1C=CC(CC(O)(C(F)(F)F)C(F)(F)F)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL27933
-CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)C2c1ccccc1[N+](=O)[O-] MOL27934
-CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)C2c1ccccc1Cl MOL27935
-CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3O MOL27936
-CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3O MOL27937
-CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3O MOL27938
-FC1(F)ON2CCc3ccccc3C2C1c1ccccc1 MOL27939
-O=C1C(c2ccccc2)C2c3ccccc3CCN12 MOL27940
-COc1ccc(C(SCC(N)C(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 MOL27941
-COc1ccc(N2N=NN(C(C)C)C2=C(Cl)c2nnnn2-c2ccc(OC)cc2)cc1 MOL27942
-CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)CC1C MOL27943
-CCN(CC)CCC1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)CC1C MOL27944
-CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 MOL27945
-CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 MOL27946
-CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc21 MOL27947
-CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 MOL27948
-CCN(CC)Cc1ccccc1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 MOL27949
-C=C(Br)C[N+](CC)(CC)CC.[Br-] MOL27950
-C=C(Br)CNC(=O)Nc1ccc(Cl)c(Cl)c1 MOL27951
-Cl.ClCCN1CCOC1=Nc1ccc2c(c1)CCCC2 MOL27952
-I.N=C(N)NCc1ccc2c(c1)OCO2 MOL27953
-OC(CC(O)(C(F)(F)F)C(F)(F)F)c1ccc(C(O)CC(O)(C(F)(F)F)C(F)(F)F)cc1 MOL27954
-CN(C)N=C1CCC(C(F)(F)F)(C(F)(F)F)O1 MOL27955
-CCOC(=O)NC1CN2CCC1CC2 MOL27956
-N#CC(C#N)C1CN2CCC1CC2 MOL27957
-ON=C1CSc2ccccc2C1 MOL27958
-N#CSCC(Cl)=CCl.N#CSCC(Cl)=CCl MOL27959
-C=C(Br)CN(C#N)CC(=C)Br MOL27960
-OC1(CCc2ccccc2)COC(C(F)(F)F)(C(F)(F)F)C1 MOL27961
-C=C(Br)CNCC(=C)Br MOL27962
-C1CCC(CC2CCC(NC3=NCCO3)CC2)CC1 MOL27963
-O=C(O)CCC1C(=O)C2CCN1CC2 MOL27964
-c1ccc2c(c1)SCCC2NC1=NCCO1 MOL27965
-CN(C)C=C(S(C)(=O)=O)S(C)(=O)=O MOL27966
-CC(=O)CNC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL27967
-CN1CCCC1=NC#N MOL27968
-CN(C)C=C1CCc2ccc([N+](=O)[O-])cc2C1=O MOL27969
-CN(C)C=NNC(=O)C(C#N)=CN(C)C MOL27970
-C=C(Br)CNC(=O)CCC(=O)NCC(=C)Br MOL27971
-C=C(Br)CN(CC(=C)Br)C(C)=O MOL27972
-Cc1ccc(S(=O)(=O)O)cc1.N=C(NO)NN=Cc1ccc2c(c1)OCO2 MOL27973
-COc1cc(C=NNC(=N)NO)cc(OC)c1OC.Cc1ccc(S(=O)(=O)O)cc1 MOL27974
-COc1ccc(C=NNC(=N)NO)c(OC)c1OC.Cc1ccc(S(=O)(=O)O)cc1 MOL27975
-COc1cc(OC)c(C=NNC(=N)NO)c(OC)c1.Cc1ccc(S(=O)(=O)O)cc1 MOL27976
-COc1cc(OC)c(OC)cc1C=NNC(=N)NO.Cc1ccc(S(=O)(=O)O)cc1 MOL27977
-COC(=O)C(C)(Cc1ccc2c(c1)nnn2C(C)=O)NC(C)=O MOL27978
-Oc1nc(Nc2cccc(Br)c2)nc2[nH]cnc12 MOL27979
-Cc1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1CO MOL27980
-COC(=O)N1C2C(CC1(C)C(=O)OC)c1ccccc1N2S(=O)(=O)c1ccccc1 MOL27981
-CC(=O)c1ccc(Br)cc1NC1=CC(=O)c2ncccc2C1=O MOL27982
-Clc1cccc(Cl)c1C1SCc2nc3ncccc3n21 MOL27983
-O=[N+]([O-])c1cc(C=NC23CC4CC(CC(C4)C2)C3)ccc1Cl MOL27984
-O=[N+]([O-])c1ccc(Cl)cc1C=NC12CC3CC(CC(C3)C1)C2 MOL27985
-Clc1cccc(Cl)c1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 MOL27986
-O=[N+]([O-])c1cc(C2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)ccc1Cl MOL27987
-O=[N+]([O-])c1ccc(Cl)cc1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 MOL27988
-O=CC(=C1C=Cc2cc([N+](=O)[O-])ccc2S1)c1ccccc1 MOL27989
-CC1=CC=C2c3ccccc3C=CN2C(=O)C1 MOL27990
-CN(C)C1COC2Cc3ccccc3C1O2 MOL27991
-CN(C)C1COC2Cc3ccccc3C1O2.Cl MOL27992
-CN(C)CC1COC2Cc3ccccc3C1O2.Cl MOL27993
-CN(C)CC1COC2Cc3ccccc3C1O2.Cl MOL27994
-CN(C)C(c1ccccc1)C1COC2Cc3ccccc3C1O2 MOL27995
-CN(C)C(c1ccccc1)C1COC2Cc3ccccc3C1O2 MOL27996
-O=C1CCN=C(NC(=O)C(F)(F)F)N1CCc1c[nH]c2ccccc12 MOL27997
-Br.NC(=O)NC1=NCCC(=O)N1CCc1c[nH]c2ccccc12 MOL27998
-CC(=O)NC(=O)NC1=NCCC(=O)N1CCc1c[nH]c2ccccc12 MOL27999
-Br.NC1NCCC(=O)N1CCc1c[nH]c2ccccc12 MOL28000
-Nc1c(Cl)c([N+](=O)[O-])cc2c1OCCCCO2 MOL28001
-O=[N+]([O-])c1cc2c(c3nonc13)OCCCCO2 MOL28002
-C=CCC1(Sc2ccccn2)Sc2ccc3ccccc3c2-c2c(ccc3ccccc23)S1 MOL28003
-CC1OCC(O)C(C2OC(c3ccccc3)=NC2CO)O1 MOL28004
-O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 MOL28005
-COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(OC)c(Br)c(=O)o1 MOL28006
-COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(C)cc2c1C(=O)C=CC2=O MOL28007
-COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN)c4c32)c1 MOL28008
-Cc1cnc(NCCCN(C)C)c2c1[nH]c1ccc3ccccc3c12.O=C(O)C=CC(=O)O MOL28009
-COc1ccc2ccc3[nH]c4c(C)cnc(NCCCN(C)C)c4c3c2c1.O=C(O)C=CC(=O)O MOL28010
-COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN(C)C)c4c32)c1.CS(=O)(=O)O MOL28011
-Cc1cc2nc3c(C#N)c(C)c(CCCl)c(Cl)n3c2cc1C MOL28012
-Cc1nc2ccc(Cl)cc2c2c1CCS2 MOL28013
-COc1cc(OC)c2nc(C)c3c(c2c1)SCC3 MOL28014
-Cc1nc2ccc(Cl)cc2c2c1CCN2c1ccc(F)cc1 MOL28015
-N=C(N)n1nc2c(c1O)CCCC2 MOL28016
-Cc1cc(O)nc(-n2nc(C)c(CCO)c2O)n1 MOL28017
-CCOC(=O)Cc1cc(O)nc(-n2nc(C)c(CCO)c2O)n1 MOL28018
-Cc1nn(-c2nc(O)c3c(n2)CCC3)c(O)c1CCO MOL28019
-Cc1nn(-c2nc(O)c3c(n2)CCCC3)c(O)c1CCO MOL28020
-Cc1nn(-c2nc(O)cc(-c3ccccc3)n2)c(O)c1CCO MOL28021
-CCOC(=O)c1cnc(-n2nc(C)c(CCO)c2O)nc1O MOL28022
-Cc1nn(-c2ncc(C#N)c(O)n2)c(O)c1CCO MOL28023
-Cc1nc2[nH]nnn2c(=O)c1CCO MOL28024
-CSc1nc(C)c2c(n1)N(c1ccc(Cl)cc1)CC2 MOL28025
-Cc1nc2ccccc2c(-n2cccn2)c1CCn1cccn1 MOL28026
-Cc1ccc2ccc3c(-c4ccccc4)cc(C)nc3c2n1 MOL28027
-Cc1ccc2cc(NC(=O)CBr)c3ccc(C)nc3c2n1 MOL28028
-CC(=O)Nc1cc2ccc(C)nc2c2nc(C)ccc12 MOL28029
-Cc1ccc2cc(N)c3ccc(C)nc3c2n1 MOL28030
-Cc1nc2c(ccc3c(C)c(C)c(C)nc32)c(C)c1C MOL28031
-Cc1ccc2cc(NC(=O)CN)c3ccc(C)nc3c2n1 MOL28032
-Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1 MOL28033
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL28034
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)n(C)c2)n(C)c1.[NaH] MOL28035
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3ccc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)n(C)c2)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH] MOL28036
-O=C1OC(=C(Cl)c2c3ccccc3cc3ccccc23)c2ccccc21 MOL28037
-CC1CCCC1=C(I)C(=O)c1ccccc1 MOL28038
-CCOC(=O)NN(C(=O)OCC)C(=C(C1=CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC MOL28039
-CCOC(=O)NN(C(=O)OCC)C(C(=O)C1=CCCCC1)N(NC(=O)OCC)C(=O)OCC MOL28040
-c1ccc(-c2nc(-c3ccccc3SSc3ccccc3-c3nc(-c4ccccc4)nn3-c3ccccc3)n(-c3ccccc3)n2)cc1 MOL28041
-COC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 MOL28042
-OCCNCNc1nc(NCNCCO)nc(N(CNCCO)CNCCO)n1 MOL28043
-NC1C(CO)CNC1CO MOL28044
-[O-][Cl+3]([O-])([O-])[O-].c1cc[n+]2c(c1)-c1cccc[n+]1[Pd-2]21NCCN1 MOL28045
-CC[N+]1(CC)CCN[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])O MOL28046
-CCN1CCN(CC)[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])O MOL28047
-CCN1CCN[Pd-2]12[n+]1ccccc1-c1cccc[n+]12.[O-][Cl+3]([O-])([O-])[O-] MOL28048
-COc1ccc(N=Nc2ccc3oc(=O)c(C(=O)Nc4ccc(OC)cc4)cc3c2)cc1 MOL28049
-CC(=O)N(C(=O)CC(=O)NN)c1ccc(Cl)cc1 MOL28050
-CC1=NN(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)C(=O)C1N=Nc1ccc([N+](=O)[O-])cc1 MOL28051
-CC(=O)N(C(=O)CC(=O)NN=Cc1ccc(Br)c(N(CCC#N)CCC#N)c1)c1ccc(Cl)cc1 MOL28052
-O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)NN=Cc1cc(N=Nc2ccccc2Cl)ccc1O MOL28053
-O=C(CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1)NN=Cc1ccccc1O MOL28054
-NNC(=O)CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1 MOL28055
-NNC(=O)CC(=O)N(C(=O)C=Cc1ccccc1)c1ccc(Cl)cc1 MOL28056
-CC(=O)N(CC(=O)C(=O)NNc1ccoc1)c1ccc(Cl)cc1 MOL28057
-O=C(CC(=O)N(C(=O)C=Cc1ccccc1)c1ccc(Cl)cc1)N1N=C(c2ccccc2)C(N=Nc2cccc([N+](=O)[O-])c2)C1=O MOL28058
-COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1)CC2 MOL28059
-NC(=O)c1ncn(C2C=CC(CP(=O)(O)O)C2)c1N MOL28060
-NC(=O)c1ncn(C2CCC(CP(=O)(O)O)C2)c1N MOL28061
-Nc1ncnc2c1ncn2C1C=CC(CP(=O)(O)O)C1 MOL28062
-Nc1ncnc2c1ncn2C1CCC(CP(=O)(O)O)C1 MOL28063
-Nc1ncnc2c1nnn2C1C=CC(CP(=O)(O)O)C1 MOL28064
-Nc1ncnc2c1nnn2C1CCC(CP(=O)(O)O)C1 MOL28065
-Nc1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1 MOL28066
-CNc1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1 MOL28067
-CN(C)c1ncnc2c1ncn2C1C=CC(COS(N)(=O)=O)C1 MOL28068
-Nc1nc(O)c2ncn(C3C=CC(COS(N)(=O)=O)C3)c2n1 MOL28069
-Nc1ncnc2c1ncn2C1CCC(COS(N)(=O)=O)C1 MOL28070
-Nc1ncnc2c1nnn2C1C=CC(COS(N)(=O)=O)C1 MOL28071
-C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 MOL28072
-C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 MOL28073
-C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C=CC(CC)C(C)C)CCC32)C1 MOL28074
-C#[N+]CCOP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)C=CC(CC)C(C)C)CCC32)C1 MOL28075
-O=C(O)c1c(O)ccc(O)c1C(=O)Nc1ccc(C=Cc2ccc(NC(=O)c3c(O)ccc(O)c3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL28076
-Cn1ccc2c(c1=O)C(=O)OC2(C)C MOL28077
-NC(CS[Ag])C(=O)O.O=[N+]([O-])O MOL28078
-CC(=O)NC(CS[Ag])C(=O)O.O=[N+]([O-])O MOL28079
-NCC(CS)C(=O)NC(CS)C(=O)NC(CS)C(=O)NCCNc1ccc(NCCNC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CN)CS)c2c1C(=O)c1c(O)ccc(O)c1C2=O MOL28080
-O=NN1CCCS1(=O)=O MOL28081
-Cc1cn(C2CC(N(C)O)C(CO)O2)c(=O)[nH]c1=O MOL28082
-Cc1cn(C2CC(NO)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL28083
-Cc1cn(C2CC3C(CON3C)O2)c(=O)[nH]c1=O MOL28084
-Cc1cn(C2CC3C(COC(C)(C)N3O)O2)c(=O)[nH]c1=O MOL28085
-Cc1cn(C2CC3C(COC(c4ccccc4)N3O)O2)c(=O)[nH]c1=O MOL28086
-Cc1cn(C2CC(ON)C(CO)O2)c(=O)[nH]c1=O MOL28087
-Cc1cn(C2CC(ON3C(=O)c4ccccc4C3=O)C(CO)O2)c(=O)[nH]c1=O MOL28088
-Cc1cn(C2CC(C)N(CCO)O2)c(=O)[nH]c1=O MOL28089
-CC12CCC(CC(=O)C1=C(Br)I)C2(C)C MOL28090
-CN(C)C=Nn1c2ccccc2c2ccccc21 MOL28091
-FC1=C2CCCCCC2SC1(F)F MOL28092
-N#CCCC1C(C#N)C2CC1C1C3C=CC(C3)C21 MOL28093
-C=C(Br)CN(C(C)=O)C1CCCCC1 MOL28094
-CC12CCCCC1=C(F)C(F)(F)S2 MOL28095
-CN(C)C=Nc1nnn[nH]1 MOL28096
-CN=CN(C)c1c2ccccc2nc2ccccc12 MOL28097
-CC(C)(C)NC(=O)CCC1C(C(=O)NC(C)(C)C)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MOL28098
-FC(F)(F)C1(C(F)(F)F)C2CCC3(CC(F)(F)C(F)(F)S3)C1C2 MOL28099
-CN(C)C=Nc1cccc2c1NSN2 MOL28100
-CN(C)C=NCc1ccc2c(c1)OCO2 MOL28101
-ON=C1COC(C(F)(F)F)(C(F)(F)F)C1 MOL28102
-FC1C2=C(SC1(F)F)C1CCC2C1 MOL28103
-C[N+](C)(C)C=NCCCCCCN=C[N+](C)(C)C.[I-] MOL28104
-Fc1sc2c(c1F)C1CCC2C1 MOL28105
-FC1(F)[Se]C2C3CCC(C3)C2C1(F)F MOL28106
-COC(=O)C1CC2CC1C1C2SC(F)(F)C1(F)F MOL28107
-O=C(NCC(Cl)=CCl)Nc1cccc2c1CCCC2 MOL28108
-O=C(NCC(Cl)=CCl)Nc1c2ccccc2nc2ccccc12 MOL28109
-O=C(NCC=CBr)NC1CCNc2ccccc21 MOL28110
-FC1=C2C3CCC(C3)C2C1(F)F MOL28111
-S=C=NCC(Cl)=CCl MOL28112
-C1CCC2C(C1)CCCC2NC1=NCCO1 MOL28113
-NC(=S)NCC=CCl MOL28114
-CN1CCN(C2=NCCO2)CC1 MOL28115
-COc1ccc(N(C(=O)NCCO)c2ccccc2)cc1 MOL28116
-CC(NC1=NCCO1)c1cccc([N+](=O)[O-])c1 MOL28117
-Cc1ccc([N+](=O)[O-])cc1NC1=NCCO1 MOL28118
-CC(NC1=NCCO1)c1ccccc1Cl MOL28119
-FC1(F)SC2C(C1(F)F)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl MOL28120
-C=C1CN(C2=NCCO2)C1 MOL28121
-C=CCC(C)C12CCNC(Cc3ccc(O)cc31)C2C MOL28122
-CC(C)=CCC12Cc3ccc(O)cc3C(C(C)CN1)C2C MOL28123
-C#CCN(CC#C)C(=O)C(=O)c1c[nH]c2ccc(OC)cc12 MOL28124
-OCC12COC(c3ccccc3)N1C(c1ccccc1)OC2 MOL28125
-O=C(CCCCCCCCC(=O)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1)NCC1(c2ccccc2)CCN(Cc2ccccc2)CC1 MOL28126
-CN1CCC(CNC(=O)CCCCCCCCC(=O)NCC2(c3ccccc3)CCN(C)CC2)(c2ccccc2)CC1 MOL28127
-O=C(CCCCCCCCC(=O)NCC1(c2ccccc2)CCNCC1)NCC1(c2ccccc2)CCNCC1 MOL28128
-COc1cc(C(=O)OC2CCC3CCC2N3C)cc(OC)c1OC MOL28129
-CCCOC(C(=O)OC1CCC2CCC1N2C)(c1ccccc1)c1ccccc1 MOL28130
-O=C1CCCN1CC#CCN1CC2C3CCC(C3)C2C1 MOL28131
-COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1C(NC(C)=O)CC2 MOL28132
-Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O MOL28133
-CC(=O)NC(NCCN)(c1ccccc1)c1ccccc1 MOL28134
-CCN(CC)CCOC(NC(C)=O)(c1ccccc1)c1ccccc1 MOL28135
-COc1ccccc1N1CCN(CCCNC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 MOL28136
-N=C(N)N1CCC(N2CCOCC2)CC1.O=S(=O)(O)O MOL28137
-CCCNC1(C(N)=O)CCN(Cc2ccccc2)CC1 MOL28138
-O=C1NCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 MOL28139
-CNC1(C#N)CCN(Cc2ccccc2)CC1 MOL28140
-CN(C)c1ccc(-c2nc(O)c3ccccc3[n+]2C)cc1 MOL28141
-Cl.O=C(CCCN1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1 MOL28142
-c1ccc(NC2(c3nnnn3C3CCCCC3)CCNCC2)cc1 MOL28143
-COc1cc(C2NCCC(c3ccccc3)(c3ccccc3)N2)cc(OC)c1OC.Cl MOL28144
-COc1cc(C(=O)NC(CCN)(c2ccccc2)c2ccccc2)cc(OC)c1OC MOL28145
-COc1ccc(-n2nnnc2C2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)cc1 MOL28146
-c1ccc(CN2CCC(Nc3ccccc3)(c3nnnn3Cc3ccccc3)CC2)cc1 MOL28147
-CC(=O)N(c1ccccc1)C1(c2nnnn2C2CCCCC2)CCN(Cc2ccccc2)CC1 MOL28148
-O=C(CCCN1CCC(Nc2ccc(F)cc2)(c2nnnn2C2CCCCC2)CC1)c1ccc(F)cc1 MOL28149
-N#CC(CCN1CCC(Nc2ccccc2)(c2nnnn2C2CCCCC2)CC1)(c1ccccc1)c1ccccc1 MOL28150
-O=C1NC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21 MOL28151
-O=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 MOL28152
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc2cccnc2c1O.[NaH] MOL28153
-CC1(C)CNCC(C)(O)C(=O)NC(C)(C)CNCC(C)(O)C(=O)N1 MOL28154
-CC1(C)CNCC(C)(O)C(=O)NC(C)(C)CNCC(C)(O)C(=O)N1 MOL28155
-COc1ccccc1N1C(=O)C2C3c4ccccc4C(OC(C)=O)(c4ccccc43)C2C1=O MOL28156
-CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccccc3O)C(=O)C12 MOL28157
-CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccccn3)C(=O)C12 MOL28158
-CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(N=C(C)C)C(=O)C12 MOL28159
-CC(=O)OC12c3ccccc3C(c3ccccc31)C1C(=O)N(Nc3ccccc3)C(=O)C12 MOL28160
-O=C1NNC(=O)C2C3c4ccccc4C(c4ccccc43)C12 MOL28161
-O=[N+]([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Cl MOL28162
-O=[N+]([O-])C(Cl)C(Cl)C(Cl)=C(Cl)Cl MOL28163
-O=[N+]([O-])C(Cl)=CC(=C(Cl)Cl)[N+](=O)[O-] MOL28164
-O=[N+]([O-])C(Cl)(Cl)C=C(Cl)C(Cl)(Cl)[N+](=O)[O-] MOL28165
-N#CSC(Cl)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-] MOL28166
-O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)C(Cl)=C(Cl)Cl MOL28167
-CC(C)(C)NC(NC(C)(C)C)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-] MOL28168
-CCN(CC)C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])N(CC)CC MOL28169
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCCCC1)N1CCCCC1 MOL28170
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N1CCOCC1)N1CCOCC1 MOL28171
-O=[N+]([O-])C(Cl)=C(Nc1ccccc1)C(Cl)=C(Cl)Cl MOL28172
-O=[N+]([O-])C(Cl)=C(C(Cl)=C(Cl)Cl)N1CCCCC1 MOL28173
-O=[N+]([O-])C(Cl)=C(C(Cl)=C(Cl)Cl)N1CCOCC1 MOL28174
-O=[N+]([O-])C(Cl)=C(NCCO)C(Cl)=C(Cl)Cl MOL28175
-O=[N+]([O-])C(Cl)=C(NCCNC(C(Cl)=C(Cl)Cl)=C(Cl)[N+](=O)[O-])C(Cl)=C(Cl)Cl MOL28176
-O=[N+]([O-])C(Cl)=CC(=C(Nc1ccccc1)Nc1ccccc1)[N+](=O)[O-] MOL28177
-CC(C)(C)NC(NC(C)(C)C)=C(C=C(Cl)[N+](=O)[O-])[N+](=O)[O-] MOL28178
-O=[N+]([O-])C(Cl)=CC(=C(N1CCCCC1)N1CCCCC1)[N+](=O)[O-] MOL28179
-O=[N+]([O-])C(Cl)=CC(=C(N1CCOCC1)N1CCOCC1)[N+](=O)[O-] MOL28180
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(n1nnc2ccccc21)n1nnc2ccccc21 MOL28181
-O=[N+]([O-])C(C=C(Cl)n1nnc2ccccc21)=C(Cl)n1nnc2ccccc21 MOL28182
-O=[N+]([O-])C(C=C(n1nnc2ccccc21)n1nnc2ccccc21)=C(n1nnc2ccccc21)n1nnc2ccccc21 MOL28183
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(SCc1ccccc1)N1CCCCC1 MOL28184
-O=[N+]([O-])C(=C(Nc1ccccc1)SCc1ccccc1)C(Cl)=C(Cl)Cl MOL28185
-CCN(CC)C(SCc1ccccc1)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-] MOL28186
-O=[N+]([O-])C(=C(Cl)SCc1ccccc1)C(Cl)=C(Cl)Cl MOL28187
-O=[N+]([O-])C(=C(Cl)Sc1ccccc1)C(Cl)=C(Cl)Cl MOL28188
-O=[N+]([O-])C(=C(Sc1ccccc1)Sc1ccccc1)C(Cl)=C(Cl)Cl MOL28189
-O=[N+]([O-])C(Cl)=C(Sc1ccccc1)C(Cl)=C(Cl)Cl MOL28190
-O=[N+]([O-])C(=C1Nc2ccccc2N1)C(Cl)=C(Cl)Cl MOL28191
-O=[N+]([O-])C(=C1Nc2ccccc2O1)C(Cl)=C(Cl)Cl MOL28192
-O=[N+]([O-])C(=C1NCCN1)C(Cl)=C(Cl)Cl MOL28193
-O=[N+]([O-])C(=C1NCCO1)C(Cl)=C(Cl)Cl MOL28194
-O=[N+]([O-])C(=C1OCCS1)C(Cl)=C(Cl)Cl MOL28195
-O=[N+]([O-])C(=C1NCCS1)C(Cl)=C(Cl)Cl MOL28196
-CCOc1snc(C(Cl)(Cl)Cl)c1Cl MOL28197
-Clc1c(C(Cl)(Cl)Cl)nsc1N1CCCCC1 MOL28198
-COC(=O)c1nsc(OC)c1Cl MOL28199
-O=C(c1nsc(Cl)c1Cl)N1CCCCC1 MOL28200
-ON=C(C(Cl)=C(Cl)Cl)C(Cl)Cl MOL28201
-CC(=O)NC(C)(C)C1CCC(C)CC1 MOL28202
-CC(=O)NC1(C)CCC(C(C)(C)NC(C)=O)CC1 MOL28203
-CC(=O)NC(C)(C)C1CC=C(C)CC1 MOL28204
-COCCOCCOCCC(=O)NC1CC2CCC1(C)C2(C)C MOL28205
-CCOC(=O)CC(=O)NC1CC2CCC1(C)C2(C)C MOL28206
-CCCCC1(O)CC2CC1C(C)C2(C)C MOL28207
-CC1(C)CC2(C)CC1CC2O MOL28208
-CC1C(C)(C)C23CC12C1(OCCO1)C3Br MOL28209
-O=C(C(=O)c1cc(-c2ccccc2)nc2ccc3ccccc3c12)c1ccccc1 MOL28210
-C(=Nc1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1)c1ccccc1 MOL28211
-O=[N+]([O-])c1ccc(C=Cc2cc(-c3ccccc3)nc3ccc4ccccc4c23)cc1 MOL28212
-C(=Cc1cc(-c2ccc3ccccc3n2)nc2ccc3ccccc3c12)c1ccc2ccccc2n1 MOL28213
-CC(=O)CCNc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc3ccc4ccccc4c23)cc1 MOL28214
-Cc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 MOL28215
-CC1(C)CC(=O)C2=C(C1)NC1=C(C2)C(=O)CC(C)(C)C1 MOL28216
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc(Cl)cc1 MOL28217
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccccc1 MOL28218
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc2ccccc12 MOL28219
-Cc1cc(Br)c(N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)c(Br)c1 MOL28220
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc([N+](=O)[O-])c1 MOL28221
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc([N+](=O)[O-])cc1 MOL28222
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccccc1C(=O)O MOL28223
-CC1C2=C(CCCC2=O)N(c2ccc(Cl)cc2)C2=C1C(=O)CCC2 MOL28224
-COc1ccc(C2C3=C(CCCC3=O)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 MOL28225
-COc1cc(C2C3=C(CCCC3=O)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)c([N+](=O)[O-])cc1OC MOL28226
-CN1C2=C(CC3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2 MOL28227
-CC1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 MOL28228
-O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc(-c2ccccc2)cc1 MOL28229
-N#Cc1nc(C2=C(Cl)c3ccccc3OC2)[nH]c1C#N MOL28230
-Clc1ccc2sc(-n3ccc4ccccc43)nc2c1 MOL28231
-CN(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-].O=S(=O)(O)O MOL28232
-COC(=O)C1=C(C(=O)OC)SC(=C2c3ccsc3-c3sccc32)S1 MOL28233
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3=O MOL28234
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3=O MOL28235
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL28236
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL28237
-CC(C)C1=C(Cc2ccccc2)C(=O)OC1=Cc1cc(Cl)c(O)c(Cl)c1 MOL28238
-O=C1NC2(CCNCC2)Oc2ccccc21 MOL28239
-c1ccc(CN2CCC(=NN3CCCCC3)CC2)cc1 MOL28240
-CC(Cc1ccccc1)N(C)Cc1nc(C2CCC([N+](=O)[O-])O2)no1 MOL28241
-CCN(CC)Cc1nc(C2CCC([N+](=O)[O-])O2)no1 MOL28242
-CN1c2ccccc2C(=O)NC12CCN(Cc1ccccc1)CC2 MOL28243
-c1ccc(CN2CCC3(N4CCOCC4)C(C2)N=NN3c2ccccc2)cc1 MOL28244
-O=C1NCC2(CCNCC2)N1 MOL28245
-C=CCN1CCC2(CC1)NC(=O)c1ccccc1O2 MOL28246
-CN1c2ccccc2C(=O)NC12CCNCC2 MOL28247
-O=C1NCC2(CCN(Cc3ccccc3)CC2)N1 MOL28248
-O=C1NC2(CCN(CCc3ccccc3)CC2)Oc2ccccc21 MOL28249
-CN(C)CCCc1cccc2[nH]c3c(c12)CN(C)CC3.Cl MOL28250
-Cl.O=C(CCCc1cccc2[nH]c3c(c12)CN(Cc1ccccc1)CC3)c1ccc(F)cc1 MOL28251
-CN1c2ccccc2C(=O)NC12CCN(CC1COc3ccccc3O1)CC2 MOL28252
-O=C(OC1CN2CCC1CC2)C1(c2ccccc2)COc2ccccc21 MOL28253
-O=C1NC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)Oc2ccccc21 MOL28254
-CN1c2ccccc2C(=O)NC12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl MOL28255
-Cl.O=C(CCCN1CCC2(CC1)NC(=O)c1ccccc1O2)c1ccc(F)cc1 MOL28256
-O=C1N=C(NC2CCCCC2)C2(CCN(CCc3ccccc3)CC2)N1c1ccccc1 MOL28257
-CN1CCC2(CC1)C(NC1CCCCC1)=NC(=S)N2c1ccccc1 MOL28258
-S=C1N=C(NC2CCCCC2)C2(CCN(CCc3ccccc3)CC2)N1c1ccccc1 MOL28259
-Cl.O=C(CCCN1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 MOL28260
-O=C1NC(=O)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 MOL28261
-C(#CC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1)C1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 MOL28262
-c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)cc1 MOL28263
-COc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3.Cl MOL28264
-Cl.Fc1ccc2c3c([nH]c2c1)CCNC3 MOL28265
-Cl.Fc1ccc2c3c([nH]c2c1)CCN(Cc1ccccc1)C3 MOL28266
-Cl.Fc1ccc(C2(CCCN3CCc4[nH]c5cc(F)ccc5c4C3)OCCO2)cc1 MOL28267
-CN1CCC2(CC1)C(NC1CCCCC1)=NC(=O)N2c1ccccc1.Cl MOL28268
-Cl.O=C(CCCN1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1 MOL28269
-O=C1NCC2(CCNCC2)N1c1ccccc1 MOL28270
-O=C1N=C(NC2CCCCC2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)N1c1ccccc1 MOL28271
-COc1cc2c3c([nH]c2c(OC)c1OC)CCN(Cc1ccccc1)C3.Cl MOL28272
-O=C(CCCN1CCC2(CC1)C(NC1CCCCC1)=NC(=O)N2c1ccccc1)c1ccc(F)cc1 MOL28273
-O=C1NCC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)N1c1ccccc1 MOL28274
-Cl.O=C(CCCN1CCC2(CC1)C(=O)NC(=O)N2c1ccccc1)c1ccc(F)cc1 MOL28275
-CN1C(=O)N(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O MOL28276
-COc1ccc2c3c([nH]c2c1)CCN(CCCC(=O)c1ccc(F)cc1)C3 MOL28277
-O=C1NCC2(CCN(CC3COc4ccccc4O3)CC2)N1c1ccccc1 MOL28278
-O=S(=O)(c1ccc(N=C=S)cc1)N1CCCCC1 MOL28279
-O=C(CCN1CCCC(O)C1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1 MOL28280
-O=C(OC1CCN(Cc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 MOL28281
-Cl.O=C(CCCN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)CC1)c1ccccc1 MOL28282
-OC1(c2ccccc2)C2CCN(CC2)C1CN1CCOCC1 MOL28283
-CC(=O)NCC1(c2ccccc2)CCN(CC2COc3ccccc3O2)CC1 MOL28284
-O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2 MOL28285
-CCC(=O)C1(N2CCOCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl MOL28286
-CCC(=O)C(CCN1CCC2(CCCc3ccccc32)CC1)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O MOL28287
-O=C1OCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)=C1c1ccccc1 MOL28288
-O=C(O)C1(CC(CCCN2CCCCC2)c2ccccc2)CCCC1 MOL28289
-Cl.O=C(CCCN1CCC2(CC1)CC(c1ccccc1)OC2=O)c1ccc(F)cc1 MOL28290
-CC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 MOL28291
-CC#CC(O)(C(=O)OC1CCN(C)C1)c1ccccc1 MOL28292
-CCN(CC)C(=O)CCNC(C)Cc1c[nH]c2ccccc12 MOL28293
-CCOC(=O)OC1(c2ccccc2)CCN(C)CC1 MOL28294
-CN1CCC(OC(=O)Oc2ccccc2)(c2ccccc2)CC1 MOL28295
-CC(C)CN1CN(c2ccccc2)C2(CCN(CC(C)(c3ccc(F)cc3)C3OCCO3)CC2)C1=O.Cl MOL28296
-CN1CN(c2ccccc2)C2(CCN(CC(C)(c3ccc(F)cc3)C3OCCCO3)CC2)C1=O MOL28297
-CN1CN(c2ccccc2)C2(CCN(Cc3csc4ccccc34)CC2)C1=O MOL28298
-C=CCN(Cc1ccncc1)C(=O)C(O)(c1ccccc1)c1ccccc1 MOL28299
-COC(=O)C1C(OC(=O)C(Cl)(c2ccccc2)c2ccccc2)CC2CCC1N2C.Cl MOL28300
-CC(C)C=CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 MOL28301
-CN1C(CC(O)c2ccccc2)CCCC1CC(O)c1ccccc1 MOL28302
-CN1CN(c2ccccc2)C2(CCN(CCC3COc4ccccc4O3)CC2)C1=O MOL28303
-CN1CN(c2ccccc2)C2(CCN(CCc3csc4ccccc34)CC2)C1=O MOL28304
-CN1CCC=C(COC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cl MOL28305
-Nc1ccc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4ccc(N)cc4S(=O)(=O)O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1.[NaH] MOL28306
-CC1(C)CNCC2(C)OCCCOC3(C)CNCC(C)(C)NC(=O)C(C)(CNCC(C)(C)NC3=O)OCCCOC(C)(CNCC(C)(C)NC2=O)C(=O)N1 MOL28307
-O=C1C(=Cc2ccccc2)CCc2ccccc21 MOL28308
-O=C1C(=Cc2ccc(O)cc2)CCc2ccccc21 MOL28309
-O=C1C(=Cc2ccccc2)CCc2ccc([N+](=O)[O-])cc21 MOL28310
-O=C1C(=Cc2ccc(O)cc2)CCc2ccc([N+](=O)[O-])cc21 MOL28311
-CCN(CC)c1ccc(C=C2CCc3ccc([N+](=O)[O-])cc3C2=O)cc1 MOL28312
-O=C1C(=Cc2cccc3ccccc23)CCc2ccc([N+](=O)[O-])cc21 MOL28313
-CCNc1ncnc2sc(SCc3ccccc3)nc12 MOL28314
-Cc1ccc(Nc2ncnc3sc(SCc4ccccc4)nc23)cc1 MOL28315
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCOc3ccccc3)O2)c(=O)[nH]c1=O MOL28316
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCF)O2)c(=O)[nH]c1=O MOL28317
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCCCl)O2)c(=O)[nH]c1=O MOL28318
-COC(=O)c1ccc(N=NN(C)COc2ccc(C#N)cc2)cc1 MOL28319
-Clc1ccc2c(NCCCCN=Cc3ccccc3)ccnc2c1 MOL28320
-Clc1ccc2c(NCCCCN3OC3c3ccccc3)ccnc2c1 MOL28321
-CN1CC(c2ccccc2)N(CCCCN2CC(c3ccccc3)N(C)CC2c2ccccc2)CC1c1ccccc1 MOL28322
-O=C(NCCN1CCCCC1)c1ccc(I)cc1 MOL28323
-CCN(CC)CCNC(=O)c1ccc(I)cc1.Cl MOL28324
-O=C(NCCN1CCCCC1)c1ccc(Br)cc1 MOL28325
-Brc1ccc(CCNCCN2CCCCC2)cc1.Cl MOL28326
-Br.CCN(CC)CCN(C)CCc1ccc(Br)cc1 MOL28327
-Br.CN(CCc1ccc(Br)cc1)CCN1CCCCC1 MOL28328
-Cl.O=C(NCCN1CCCCC1)c1cccc(I)c1 MOL28329
-CCNCCNC(=O)c1ccc(I)cc1.Cl MOL28330
-CCNCCNC(=O)c1ccc(Br)cc1.Cl MOL28331
-O=C(NCCN1CCOCC1)c1ccc(I)cc1 MOL28332
-COc1ccc2c(c1)CC(=Cc1ccc(O)c(OC)c1)C2=O MOL28333
-O=C1C(=Cc2cccc3ccccc23)Cc2ccccc21 MOL28334
-COc1ccc2c(c1)CC(=Cc1cccc3ccccc13)C2=O MOL28335
-COc1cc(C=C2CCc3ccccc3C2=O)ccc1O MOL28336
-Cc1cn(C2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O MOL28337
-COC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL28338
-Cc1cn(C2CC(OC(c3ccccc3)(c3ccccc3)c3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL28339
-COc1ccccc1C1c2cc3c(cc2OC2(OC)COC(=O)C12)OCO3 MOL28340
-COc1cc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC MOL28341
-COc1ccccc1C(C1=C(O)COC1=O)c1cc2c(cc1OC(C)=O)OCO2 MOL28342
-COc1ccccc1C1C2=C(COC2=O)Oc2cc3c(cc21)OCO3 MOL28343
-COc1cc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)cc(OC)c1OC MOL28344
-COC1=C(C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC)OCO3)C(=O)OC1 MOL28345
-COc1ccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c(OC)c1 MOL28346
-COc1ccc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)c(OC)c1 MOL28347
-O=C1OCC2=C1C(c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 MOL28348
-COc1cccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1 MOL28349
-O=C1OCC(O)=C1C(c1ccc(Cl)cc1)c1cc2c(cc1O)OCO2 MOL28350
-COc1ccc(C(C2=C(O)COC2=O)c2cc3c(cc2O)OCO3)cc1OC MOL28351
-COC12COC(=O)C1C(c1ccc3c(c1)OCO3)c1cc3c(cc1O2)OCO3 MOL28352
-COc1ccc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1OC MOL28353
-O=C1OCC2=C1C(c1ccc(Cl)cc1)c1cc3c(cc1O2)OCO3 MOL28354
-COc1cccc(C2c3cc4c(cc3OC3COC(=O)C32)OCO4)c1OC MOL28355
-COc1cc(C2c3cc4c(cc3OC3(OC)COC(=O)C23)OCO4)cc(OC)c1OC(C)=O MOL28356
-Nc1ccccc1CN1C(=O)c2ccccc2C1=O MOL28357
-Nc1ccc([N+](=O)[O-])cc1CN1C(=O)c2ccccc2C1=O MOL28358
-Nc1ncccc1N1C(=O)c2ccccc2C1=O MOL28359
-Nc1ccc(N)c(N2C(=O)c3ccccc3C2=O)c1 MOL28360
-COc1ccc(N)c(N2C(=O)c3ccccc3C2=O)c1 MOL28361
-CN(C)c1nc(N(C)C)nc(N2C(=O)c3ccccc3C2=O)n1 MOL28362
-CN(C)c1nc(N(C)C)nc(N2C(=O)CCC2=O)n1 MOL28363
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)=C(C#N)c1ccc([N+](=O)[O-])cc1 MOL28364
-CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(O)=C(C#N)c1c(F)c(F)c(F)c(F)c1F MOL28365
-Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 MOL28366
-Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OC(CO)C(O)C(O)C1O MOL28367
-Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 MOL28368
-Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OC(CO)C(O)C(O)C1O MOL28369
-Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OCC(O)C(O)C2O)cc1 MOL28370
-Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OCC(O)C(O)C1O MOL28371
-Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(NC2OCC(O)C(O)C2O)cc1 MOL28372
-Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1NC1OCC(O)C(O)C1O MOL28373
-Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(N)cc1 MOL28374
-Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1N MOL28375
-O=S1(=O)c2ccccc2N2CCCc3cc(Cl)cc1c32 MOL28376
-Cc1cc2c3c(c1)S(=O)(=O)c1cc(Cl)ccc1N3CCC2 MOL28377
-O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCc2cc(Cl)ccc21 MOL28378
-COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL28379
-O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCc2cc(Cl)ccc21 MOL28380
-O=S(=O)(c1ccccc1)c1cccc2c1NCCC2 MOL28381
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1cccc2c1NCCC2 MOL28382
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1cc(Cl)cc2c1NCCC2 MOL28383
-O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)c1cc(Cl)cc2c1NCCC2 MOL28384
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O.[NaH] MOL28385
-CC1=C(O)C(=C(c2cc(C(=O)O)c(O)cc2O)c2cc(C(=O)O)c(O)c(C)c2O)C=C(C(=O)O)C1=O.N MOL28386
-Cc1cc(Cc2cc(C)c(S)c(C(=O)O)c2)cc(C(=O)O)c1S.N MOL28387
-Cc1c(C(=O)O)cc(C(=O)O)c(Cc2c(C(=O)O)cc(C(=O)O)c(C)c2O)c1O.N MOL28388
-Cc1cc(C(=O)O)c(C(=O)O)cc1Cc1cc(C(=O)O)c(C(=O)O)cc1C.N MOL28389
-Cc1cc(C(=C2C=CC(=O)C(C(=O)O)=C2O)c2cc(C)c(O)c(C(=O)O)c2O)c(O)c(C(=O)O)c1O.N MOL28390
-Cc1cc(C(c2cc(C(=O)O)c(O)c(C(C)c3ccco3)c2)c2ccco2)cc(C(=O)O)c1O.N MOL28391
-CCc1cc(Cc2cc(C)c(O)c(C(=O)O)c2)cc(C(=O)O)c1O.N MOL28392
-CC12C(=O)OCC(c3ccccc3)N1C(=O)N(Cc1ccccc1)C2CO MOL28393
-CCC(CCCN)Nc1cc(OC)cc2cccnc12.O=P(O)(O)O MOL28394
-CCC(CCCN)Nc1cc(OC)cc2c(C)ccnc12.O=P(O)(O)O MOL28395
-Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1 MOL28396
-Cc1cc(NS(=O)(=O)c2ccc(N=[N+]([O-])c3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1 MOL28397
-Nc1ccc(S(=O)(=O)c2ccc([N-][N+](=O)c3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1 MOL28398
-CC1CC(=O)c2ccccc2O1 MOL28399
-CC1Oc2c3c(c4c(c2C(=O)C1C)OCC=C4)OCC=C3 MOL28400
-CC1CCc2ccccc2O1 MOL28401
-Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3ccccn3)c12 MOL28402
-CN=c1sc2nc(C#N)c(C#N)nc2n1C MOL28403
-Oc1c2cc(Br)cc1CCc1cc(Br)cc(c1O)CC2 MOL28404
-CCCCCCCCCCCC1NC(=N)NC(CCCO)=C1C(=O)OC MOL28405
-CCCCCCCCCCCCC1NC(=N)N2CCCC2=C1C(=O)OC MOL28406
-CCCCCCCCCCCCC1NC(=N)NC2(CCCO2)C1C(=O)OC MOL28407
-COC(=O)CC1C=CC(C)(OC)OO1 MOL28408
-OCC(Cn1cncn1)(c1ccc(F)cc1F)n1cncn1 MOL28409
-[Br-].c1ccc([P+](Cc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL28410
-O=C(O)C12C3CCC(CC3)C1(C(=O)O)C1CCC2C1 MOL28411
-O=C(O)C12C3CCC(O3)C1(C(=O)O)C1CCC2O1 MOL28412
-O=C(O)C12C3CCC(O3)C1(C(=O)O)C1CCC2O1 MOL28413
-CC1(C)N=C(C2CCCN2C(=O)OCc2ccccc2)OC1=O MOL28414
-Cl.O=C1C(CN2CCCC2)CCCC1CN1CCCC1 MOL28415
-Cl.O=C1CCCCCCCCCCC1CN1CCCC1 MOL28416
-O=C(NN=C1CCc2ccccc21)NN=C1CCc2ccccc21 MOL28417
-Cl.O=C1C(CN2CCCCC2)CCC1CN1CCCCC1 MOL28418
-CC[N+]1(C)CCC(O)(C=Cc2ccc(Cl)c(Cl)c2)C(C(=O)C=Cc2ccc(Cl)c(Cl)c2)C1.[Br-] MOL28419
-CCN(CC)CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1.Cl MOL28420
-Cl.O=C(CCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccccc1 MOL28421
-CC(C)C(C=Cc1ccccc1)=NNC(=S)NN MOL28422
-CC(C)C(C=Cc1ccc(Cl)cc1)=NNC(=S)NN MOL28423
-CC(C)C(=O)CC(Sc1ccc(N)cc1)c1ccccc1.Cl MOL28424
-COC(=O)[CH-][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2 MOL28425
-CC1(C)COC(=O)C1[OH+][Ge]12[OH+]CCN(CC[OH+]1)CC[OH+]2 MOL28426
-CCC[CH-][Ge]([CH-]CCC)([CH-]CCC)[OH+]C(=O)CNC(=O)c1ccccc1 MOL28427
-C[CH-][Ge]([CH-]C)([CH-]C)[OH+]C(=O)CNC(C)=O MOL28428
-C[CH-][Ge]([CH-]C)([CH-]C)[OH+]C(=O)C(OC(=O)C(F)(F)F)c1ccccc1 MOL28429
-COc1ccc2nc(N=CN(C)C)sc2c1 MOL28430
-CN(C)C=NCCN1CCOCC1 MOL28431
-CN(C)C=Nc1ccc2c3c(cccc13)-c1ccccc1-2 MOL28432
-CN(C)C=Nc1c2c(nc3ccccc13)CCCC2 MOL28433
-CN(C)C=Nc1ccc2[nH]c3ccccc3c2c1 MOL28434
-C=C(Br)CN=CN(C)C MOL28435
-COc1cc(N=CN(C)C)c2ncccc2c1 MOL28436
-CC(=O)N(C)c1ccc(N=CN(C)C)cc1 MOL28437
-CC1(C)CC(C2=NCCO2)CC(C)(C)N1 MOL28438
-COc1ccc(N=CN(C)C)c(C)c1 MOL28439
-C[N+](C)(C)C=Nc1cccc2c1CCCC2.[I-] MOL28440
-CN(C)C=Nc1c2ccccc2nc2ccccc12 MOL28441
-CI.CN(C)C=Nc1cccc2nsnc12 MOL28442
-CN(C)C=NCC(O)c1ccccc1 MOL28443
-FC1(F)SC2CCCCCCCCCCC2C1(F)F MOL28444
-CC(=Nc1c2ccccc2nc2ccccc12)N(C)C MOL28445
-CN(C)C=Nc1cccc2cnccc12 MOL28446
-Cc1ccccc1N=CN(C)C MOL28447
-N#CC1CCCC2SC(F)(F)C(F)(F)C12 MOL28448
-S=C(NCC(Br)=CBr)Nc1cccc2ccccc12 MOL28449
-O=C(OCCN1C2CCCC1CCC2)C(O)(c1ccccc1)c1ccccc1 MOL28450
-CC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C2CCN1CC2.Cl MOL28451
-O=C1C(=COc2ccc(F)cc2)N2CCC1CC2 MOL28452
-[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1 MOL28453
-CN1CCC(OC(=O)C(O)(c2ccccc2)c2cccc3c2OC(C)(C)C3)CC1 MOL28454
-O=C(OC1CN2CCC1CC2)C(O)(C#Cc1ccccc1)c1ccccc1 MOL28455
-CN1CCCC(OC(=O)C(O)(C#Cc2ccccc2)c2ccccc2)C1 MOL28456
-CC(=O)n1c(=O)n(C2CCN(CCCC(=O)c3ccc(F)cc3)CC2)c2ccccc21 MOL28457
-CN(C)CCCOC(=O)C(O)(Cc1ccccc1)c1cccc2c1OC(C)(C)C2 MOL28458
-O=C(OC1CN2CCC1CC2)C(O)(Cc1ccccc1)C1CC1 MOL28459
-N#Cc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)cc1 MOL28460
-COc1ccc(C(=O)C=Cc2ccncc2)cc1OC MOL28461
-CN(C)c1ccc(C=CC(=O)c2ccc(O)cc2)cc1 MOL28462
-COc1ccc(C(=O)C=Cc2cccnc2)cc1OC MOL28463
-O=C(C=Cc1ccc(O)cc1)c1cc(O)cc(O)c1 MOL28464
-O=C(C=Cc1ccc(O)c(O)c1)c1cc(O)cc(O)c1 MOL28465
-CC1(C)CCCOc2cccc(c2)OCCCC(C)(C)C1=O MOL28466
-C=CCC1(C)CCCCCCCCCC(C)(CC=C)C1=O MOL28467
-Cc1cc(Cc2c(F)c(F)c(C(c3cc(C)no3)c3c(F)c(F)c(F)c(F)c3F)c(F)c2F)on1 MOL28468
-Cc1cc(Cc2c(F)c(F)c(Cc3cc(C)no3)c(F)c2F)on1 MOL28469
-c1cc(-c2ncc(-c3ccc4c(c3)CCCO4)o2)ccn1 MOL28470
-COc1ccc(-c2nnc(-c3ccncc3)o2)cc1 MOL28471
-c1cc(-c2cnc(-c3ccc4c(c3)CCCO4)o2)ccn1 MOL28472
-COc1cc2c(cc1OC)C(C)(C(O)C(O)C(C)(C)O)NCC2 MOL28473
-CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2ccccc2)CC1.O=C(O)C(=O)O MOL28474
-CCC(=O)N(c1ccccc1)C(C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.Cl MOL28475
-CCC(=O)C(CCN1CCC(N2C(=O)C(CCC#N)c3ccccc32)CC1)(c1ccccc1)c1ccccc1 MOL28476
-NC(=O)ON=C1CCN(Cc2ccccc2)CC1 MOL28477
-O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1cccs1 MOL28478
-O=C1NCN(c2ccccc2)C12CCN(CCCSc1ccc(F)cc1)CC2 MOL28479
-CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1 MOL28480
-CN(C)CCCOC(=O)C(O)(Cc1ccccc1)C1CC1 MOL28481
-CN1CCC(O)(OC(=O)C(c2ccccc2)C2(O)CCCC2)CC1 MOL28482
-Cl.O=C1CCC(C(=O)OC2CN3CCC2CC3)C(=O)N1 MOL28483
-O=C1OCOC2(CCCC2)C1c1ccccc1 MOL28484
-O=C1OC(CCCN2CCCCC2)(c2ccccc2)CC12CCCC2 MOL28485
-C=C(CN(CC)CC)C1(c2ccccc2)CC2(CCCC2)C(=O)O1 MOL28486
-CN(C)B(B(N(C)C)N(C)C)N(C)C MOL28487
-O=C(OC1CN2CCC1CC2)C(O)(C=Cc1ccccc1)c1ccccc1 MOL28488
-CC#CC(O)(C(=O)OC1CCCN(C)C1)C1=CC=CCC1 MOL28489
-C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 MOL28490
-Cl.O=C(CCCN1CCC2(CC1)OC(=O)N(c1ccccc1)C2=O)c1ccccc1 MOL28491
-[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 MOL28492
-Cl.O=C(OCCN1CCCCC1)C(c1ccccc1)C1(O)CCSCC1 MOL28493
-CN(C)CCCOC(=O)C(c1ccccc1)C1(O)CCSCC1 MOL28494
-CCC1C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C(C)(C)C1N1CCCCC1 MOL28495
-C=C(CN(C)C)C1(c2ccccc2)CC2(CCCC2)C(=O)O1 MOL28496
-CC1=NOC2(C1)C(=O)Nc1ccccc12 MOL28497
-CC(=O)CC1(OC(=O)C2C(C=C(C)C)C2(C)C)C(=O)Nc2ccccc21 MOL28498
-S=c1cc(-c2ccc3c(c2)OCO3)s[nH]1 MOL28499
-CCOC(=O)N(C)C1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl MOL28500
-CC=CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 MOL28501
-CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1 MOL28502
-O=C(OC1CN2CCC1CC2)C(c1ccccc1)C1(O)CCCC1 MOL28503
-CC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl MOL28504
-O=C1OCN(c2ccccc2)C12CCN(Cc1ccccc1)CC2 MOL28505
-CCCN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl MOL28506
-CCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 MOL28507
-CCC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 MOL28508
-CCC=CC(O)(C(=O)OC1CCN(C)CC1)C1CCCC1 MOL28509
-CC=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 MOL28510
-O=C(OC1CN2CCC1CC2)C(c1ccccc1)C1(O)CCCC1 MOL28511
-Cl.N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccccc1 MOL28512
-C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCC1 MOL28513
-C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1 MOL28514
-CN1CCC2(CC1)C(=O)N(N1CCCCCC1)C(=O)N2c1ccccc1 MOL28515
-CN1CCC2(CC1)C(=O)N(NC(N)=O)C(=O)C2c1ccccc1 MOL28516
-CC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CC1 MOL28517
-CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCCC1 MOL28518
-CCCC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 MOL28519
-CCCC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 MOL28520
-CCOC(=O)N1CCC2(CC1)CC(=O)N(Nc1ccccc1)C2=O MOL28521
-CC(C)C=CC(O)(C(=O)OC1CN2CCC1CC2)C1CCCC1 MOL28522
-OC1(c2ccccc2)CC2CCC(C1)N2CCc1ccccc1 MOL28523
-C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 MOL28524
-CC#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C MOL28525
-CC#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C MOL28526
-CC=CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCC1 MOL28527
-OC1(c2ccccc2)CC2CCC(C1)N2CCCC(O)(c1ccccc1)c1ccccc1 MOL28528
-CCCCC=CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1 MOL28529
-CC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)C1CCCC1 MOL28530
-CC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCC1 MOL28531
-CC#CC(O)(C(=O)OCCCN(C)C)C1CCCCC1 MOL28532
-CCC#CC(O)(C(=O)OC1CC2CCC(C1)N2C)c1ccccc1 MOL28533
-CCC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1 MOL28534
-CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl MOL28535
-Cl.N#CC(=C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1 MOL28536
-O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCCCCC1)C2=O)c1ccc(F)cc1 MOL28537
-OC1(c2ccccc2)CC2CCC(C1)N2CCCC1(c2ccc(F)cc2)OCCO1 MOL28538
-C=CCN1CCC(OC(=O)C(O)(C=CCC)C2CCCC2)CC1 MOL28539
-O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCCCCC1)C2=O)c1ccccc1 MOL28540
-C=CCN1CCC(OC(=O)C(O)(C#CC)C2CCCC2)CC1 MOL28541
-Cl.O=C1CC2(CCN(CC3COc4ccccc4O3)CC2)C(=O)N1N1CCCCCC1 MOL28542
-CCC1C(OC(=O)CC(O)(c2ccccc2)c2ccccc2)C2CCN1CC2 MOL28543
-CC(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCCC1 MOL28544
-CC1(C)OC(=O)CC12CCN(Cc1ccccc1)CC2 MOL28545
-CN1C(=O)N(C)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O MOL28546
-O=C(OC1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 MOL28547
-CC#CC(O)(C#CC)C(=O)OC1CN2CCC1CC2 MOL28548
-CP1CCC(O)(c2ccccc2)CC1 MOL28549
-CN1CN(c2ccccc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O MOL28550
-CC1N(C)C(=O)OC12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl MOL28551
-CCN1CN(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O MOL28552
-CCN1CN(c2ccccc2)C2(CCN(CC(CC3OCCO3)c3ccc(F)cc3)CC2)C1=O.Cl MOL28553
-CN1CN(c2ccccc2)C2(CCN(C3Nc4ccccc4O3)CC2)C1=O MOL28554
-CN1CN(c2ccccc2)C2(CCN(CCCN(C)c3ccc(F)cc3)CC2)C1=O.Cl MOL28555
-O=C1CC2(CCN(Cc3ccccc3)CC2)C(=O)N1N1CCCCC1 MOL28556
-CN(C)N1C(=O)CC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O MOL28557
-O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCOCC1)C2=O)c1ccc(F)cc1 MOL28558
-CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)C(=O)OCC MOL28559
-O=C1CC2(CCNCC2)C(=O)N1N1CCCCC1 MOL28560
-O=C1CC2(CCNCC2)C(=O)N1N1CCOCC1 MOL28561
-COc1cc2c(cc1OC)C1c3ccccc3CCN1CCC2.[O-][Cl+3]([O-])([O-])O MOL28562
-COc1ccc2c(c1)CCCN1CCc3cc(OC)c(OC)cc3C21 MOL28563
-C[N+](C)(C)CCOP(=O)([O-])OCCNC(=O)c1ccc2ccccc2c1 MOL28564
-O=C(CCCN1CCC2(CC1)CC(=O)N(N1CCOCC1)C2=O)c1ccccc1 MOL28565
-C=C(C)C(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1 MOL28566
-C=C(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)c1ccccc1 MOL28567
-C=C(C)C#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1CCCCC1 MOL28568
-CCN1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl MOL28569
-CN1CN(c2ccccc2)C2(CCN(CCCCCCF)CC2)C1=O.Cl MOL28570
-CN1C(=O)N(C)C2(CCN(CCCCCCF)CC2)C1=O MOL28571
-C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)C(C)C MOL28572
-C=C(C)C#CC(O)(C(=O)OC1CN2CCC1CC2)C(C)C MOL28573
-CC#CC(O)(C(=O)OC1CC(C)N(C)C(C)(C)C1)C1CCCC1 MOL28574
-CCC(C)N1CN(c2ccccc2)C2(CCN(CC3COc4ccccc4O3)CC2)C1=O.Cl MOL28575
-CCC(C)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl MOL28576
-CCC(C)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl MOL28577
-O=C1CC2(CCNCC2)C(=O)N1N1CCCC1 MOL28578
-COC(=O)C1(OC(=O)Sc2ccccc2)CCN(C)CC1 MOL28579
-CCOC(CCCN1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)(OCC)c1ccc(F)cc1 MOL28580
-C=CCN1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O MOL28581
-O=C(OC1CN2CCC1CC2)C(O)(C1=CCCC1)c1ccccc1 MOL28582
-CN1C(CC(O)c2ccccc2)CCCC1CC(O)(c1ccccc1)c1ccccc1.Cl MOL28583
-Cl.NC1CC=C(COC(=O)C(O)(c2ccccc2)C2CC2)CC1 MOL28584
-CN1CN(c2ccccc2)C2(CCN(CCCSc3ccccc3NC(=O)C=Cc3ccccc3)CC2)C1=O.Cl MOL28585
-CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.Cl MOL28586
-CC#CC(O)(C(=O)OC1CCC2CCC1N2C)C1CCCC1 MOL28587
-CCN(CC)C(=O)N1CN(c2ccccc2)C2(CCN(CCCSc3ccc(F)cc3)CC2)C1=O.Cl MOL28588
-CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccns2)CC1 MOL28589
-CNC(=O)N1CN(c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O MOL28590
-CN1CCC(OC(=O)C2(O)c3ccccc3Oc3ccccc32)CC1 MOL28591
-C=C(C)C#CC(O)(C(=O)OC1CCN(C)CC1)c1cccs1 MOL28592
-C=C(C)C(O)(C(=O)OC1CN2CCC1CC2)c1cccs1 MOL28593
-CNC(=O)N1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O.Cl MOL28594
-CN1CN(c2ccccc2)C2(CCN(CCCC3(c4cccs4)OCCO3)CC2)C1=O.O=C(O)C=CC(=O)O MOL28595
-CNC(=O)N1CN(c2ccccc2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)C1=O.O=C(O)C=CC(=O)O MOL28596
-C[N+]1(C)CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O.O=C([O-])C=CC(=O)O MOL28597
-CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3cccs3)CC2)C1=O MOL28598
-CC(C)C(O)(C(=O)OC=C1CC2CCN1CC2)c1ccccc1.Cl MOL28599
-CC(C)C(O)(C(=O)OCC1=CC2CCN1CC2)c1ccccc1.Cl MOL28600
-CC#CC(O)(C(=O)OC1CCN(C)CC1)c1ccccn1 MOL28601
-Cl.O=C(OCCC1=C2CCN(CC2)C1)C(O)(c1ccccc1)C1CCCC1 MOL28602
-CC#CC(O)(C(=O)OC1C2CCN(CC2)C1C)C1=CCCC1 MOL28603
-CNC(=O)ON=C1N(C)CN(c2ccccc2)C12CCN(CCCC(=O)c1ccc(F)cc1)CC2.Cl MOL28604
-NC(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1S MOL28605
-CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C MOL28606
-COc1ccc2[nH]cc(CN3CCC(CO)(c4ccccc4)CC3)c2c1 MOL28607
-CN(C)c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1 MOL28608
-CC[N+](C)(CC)CCC(O)(c1ccccc1)c1ccccc1.[Cl-] MOL28609
-NC(=O)CNC(=O)C1CC(O)CN1C(=O)OCc1ccccc1 MOL28610
-NC(=O)CNC(=O)C1CC(O)CN1C(=O)C1CCCN1C(=O)OCc1ccccc1 MOL28611
-NC(=O)CNC(=O)C1CC(OCCC(=O)O)CN1C(=O)OCc1ccccc1 MOL28612
-NC(=O)CNC(=O)C1CC(OCCC(=O)O)CN1C(=O)C1CCCN1C(=O)OCc1ccccc1 MOL28613
-Cn1c2ccccc2c2cc(N3CCCC3)c3c(c21)C(=O)N(c1ccccc1)C3=O MOL28614
-CCOC(=O)Cc1[nH]c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1 MOL28615
-O=c1c2cccnc2cc(-c2ccccc2)n1CCO MOL28616
-Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2C(=O)C(S(=O)(=O)c4ccccc4)=CCC32)cc1 MOL28617
-CCOP(=O)(c1ccccc1)C(C[Sn](C)(C)Cl)P(=O)(OC(C)C)OC(C)C MOL28618
-CC(C)OP(=O)(OC(C)C)C(C[Sn](C)(C)Cl)P(=O)(c1ccccc1)c1ccccc1 MOL28619
-C[Sn](C)(Cl)CC(P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 MOL28620
-CC(C)OP(=O)(OC(C)C)C(C[Sn](C)(C)Br)P(=O)(OC(C)C)OC(C)C MOL28621
-CC1(C)C2CC1C(CCCCCC1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12 MOL28622
-CC(=NNC(=S)N(C)C)c1cccnn1 MOL28623
-CC(NNC(=S)N1CCCC1)c1cccnn1 MOL28624
-CC(NNC(=S)N1CCCCCC1)c1cccnn1 MOL28625
-C=C(Cc1ccc2c(c1)OCO2)C(=C)Cc1ccc(O)cc1O MOL28626
-C=C(Cc1ccc(O)cc1)C(=C)Cc1ccc(O)cc1 MOL28627
-N#CCCC1(CCC#N)S(=O)(=O)OCCOS1(=O)=O MOL28628
-CCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2 MOL28629
-O=C(NNC(=S)NC1CCCCC1)C12CC3CC(CC(C3)C1)C2 MOL28630
-O=C(NNC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 MOL28631
-O=C(NNC(=S)Nc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 MOL28632
-O=C(NNC(=S)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2 MOL28633
-C=CCn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S MOL28634
-S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 MOL28635
-Nn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S MOL28636
-Cn1c(SCc2ccc(F)cc2)nnc1C12CC3CC(CC(C3)C1)C2 MOL28637
-Clc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 MOL28638
-Fc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 MOL28639
-O=[N+]([O-])c1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1 MOL28640
-c1csc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 MOL28641
-C1C2CC3CC1CC(c1nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s1)(C2)C3 MOL28642
-Clc1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 MOL28643
-O=[N+]([O-])c1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 MOL28644
-O=[N+]([O-])c1cc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc([N+](=O)[O-])c1 MOL28645
-c1csc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c1 MOL28646
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCc3ccccc3)O2)c(=O)[nH]c1=O MOL28647
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCCCCCCCCCOc3ccc(I)cc3)O2)c(=O)[nH]c1=O MOL28648
-O=C(O)CCCCCCCCCOc1ccccc1 MOL28649
-O=C(O)CCCCCCCCCCOc1ccc(I)cc1 MOL28650
-O=C(O)CCCCCCCCCCCF MOL28651
-CCSCCCCCCCCCCC(=O)O MOL28652
-O=C(O)CCCCCCCCCCCc1ccccc1 MOL28653
-COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3 MOL28654
-CCOC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3 MOL28655
-C#CCCOC1(OC)N=NC(C)(C)O1 MOL28656
-CCC(C)[NH+]1c2cccc[n+]2[OH+][Cu-3]12[OH+][n+]1ccccc1[NH+]2C(C)CC MOL28657
-CC(=NNC(=S)NC1CCCCC1)c1ccccn1 MOL28658
-CCN(CC)C1=N[N+]2=C(C)c3cccc[n+]3[Ni-4]234([SH+]1)[SH+]C(N(CC)CC)=N[N+]3=C(C)c1cccc[n+]14 MOL28659
-CCN(CC)C(=S)NN=C(C)c1cccc[n+]1[O-] MOL28660
-Cc1ccc(NC(=S)Nc2ccccc2C)nc1 MOL28661
-[BrH+][Co-4]12([BrH+])([S+]=C(Nc3ccccc3)Nc3cccc[n+]31)[S+]=C(Nc1ccccc1)Nc1cccc[n+]12 MOL28662
-CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O MOL28663
-CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O MOL28664
-CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3C(O)C(C)O MOL28665
-Cc1cc2c(O)c(c1)CN(Cc1ccccc1)Cc1cc(C)cc(c1O)CN(Cc1ccccc1)Cc1cc(C)cc(c1O)CN(Cc1ccccc1)C2 MOL28666
-COc1ccc(C=C2CN(C)CC(=Cc3ccc(OC)cc3)C2=O)cc1.Cl MOL28667
-CN1CC(=Cc2ccc(Cl)cc2)C(=O)C(=Cc2ccc(Cl)cc2)C1.Cl MOL28668
-CN1CC(=Cc2ccccc2[N+](=O)[O-])C(=O)C(=Cc2ccccc2[N+](=O)[O-])C1.Cl MOL28669
-CN1CC(=Cc2ccccc2)C2=C(C1)C(c1ccccc1)NC(=S)N2.Cl MOL28670
-CN1CC(=Cc2ccc(Cl)cc2)C2=C(C1)C(c1ccc(Cl)cc1)NC(=S)N2.Cl MOL28671
-CN1CC(=Cc2ccc(N(C)C)cc2)C(=O)C(=Cc2ccc(N(C)C)cc2)C1 MOL28672
-NCCCCNCCCN1CCOC1=O MOL28673
-NCCCNCCCCN1CCOC1=O MOL28674
-O=C(O)CCCCCCCCCCCOc1ccccc1 MOL28675
-COCCCCCCCCCCCC(=O)O MOL28676
-COCCCCCCCCCCC(=O)O MOL28677
-CCCCCCCCCCOCCC(=O)O MOL28678
-CCCCCOCCCCCCCC(=O)O MOL28679
-COC(OC)(c1ccccc1)C(Br)Br MOL28680
-COC(OC)(c1ccccc1)C(I)I MOL28681
-N#Cc1cc2c(cc1C#N)C(Nc1cccc(N)n1)=NC2=Nc1cccc(N)n1 MOL28682
-c1cc2nnc1SCCCSc1ccc(nn1)SCCCSc1ccc(nn1)SCCCS2 MOL28683
-c1cc2nnc1SCCCSc1ccc(nn1)SCCCS2 MOL28684
-Cl.Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 MOL28685
-C=CC1(C)CCC2(C)C(CCC3(C)C2CC(O)C(O)C3(C)O)C1 MOL28686
-CC=C(C)C(=O)OC(CC(C)C1CC(c2ccoc2)OC1=O)C1(C)C(=O)CCC2OC21C MOL28687
-CC1CC(=O)C2(C)C3(C)OC3CCC2(O)C12CC(c1ccoc1)OC2=O MOL28688
-COc1ccc2oc(=O)c3c(c2c1C)OC(C)(C)C=C3 MOL28689
-CC(=O)OC(Cc1c(O)c2c(C)cccc2oc1=O)C(C)(C)O MOL28690
-COc1ccc2oc(=O)c(CC=C(C)C)c(O)c2c1C MOL28691
-COc1ccc2c(c1C)C(=O)C(O)(CC=C(C)C)O2 MOL28692
-COc1ccc2oc(OC)c(CC=C(C)C)c(=O)c2c1C MOL28693
-C=CC(C)(C)c1c(OC)oc2ccc(OC)c(C)c2c1=O MOL28694
-CC1=CC(CC2(C)c3c(c4c(C)cccc4oc3=O)OC2C)OC1=O MOL28695
-Cc1cccc2c1C13OC(C)C4(C)CC5OC(=O)C1(C)C5C43C(=O)O2 MOL28696
-CC1CC(CC2(C)c3c(c4ccccc4oc3=O)OC2C)OC1=O MOL28697
-C=CC1(C)CC2(C=C(CO)C(O)O2)Oc2c1c(=O)oc1cccc(C)c21 MOL28698
-C=C(C)C(=O)OC1CC(COC(C)=O)C2CC=C(CO)C2C2OC(=O)C(=C)C12 MOL28699
-C=C(C)C(=O)OC1CC(COC(C)=O)C2CC=C(C)C2C2OC(=O)C(=C)C12 MOL28700
-C=C(C)C(=O)OC1CC2(CO)OC2CCC(COC(C)=O)=CC2OC(=O)C(=C)C21 MOL28701
-C=C(C)C(=O)OC1CC(CO)=CCCC(=C)C(OC(C)=O)C2OC(=O)C(=C)C12 MOL28702
-Cc1ccc2nc(O)c(-c3cnc(O)nn3)c(O)c2c1 MOL28703
-CCOC(=O)C1=CN(Cc2ccccc2)C2ON=C(c3ccc(Cl)cc3)C2C1 MOL28704
-CCOC(=O)OC(=Cc1ccc(OC)cc1)c1c(OC(=O)OCC)n(C(=O)OCC)c2ccccc12 MOL28705
-CCOC(=O)Oc1cc2c(ccn2C)c2c1c1ccccc1n2C(=O)OCC MOL28706
-CCOC(=O)Oc1cc2ccsc2c2c1c1ccccc1n2C(=O)OCC MOL28707
-O=C1CCSc2c(cnc3ccccc23)N1 MOL28708
-Cc1cn(C2CCN(CC3COC(C)(C)O3)O2)c(=O)[nH]c1=O MOL28709
-O=c1c2ccccc2c2c1c1c3ccccc3c(=O)c1c1c3ccccc3c(=O)c21 MOL28710
-COC(=O)C=C(C(=O)OC)c1c(C)cc2c(C)cc(C)cc(C)c1-2 MOL28711
-COc1ccc(OC2OC(CO)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)cc1 MOL28712
-COc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1 MOL28713
-COc1ccc(OC2OC(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)C(O)C(O)C2O)cc1 MOL28714
-COc1ccc(CCN2CCOCC2)cc1.Cl MOL28715
-Nc1ncc(CN2CCOCC2)c(-c2ccccc2O)n1 MOL28716
-O=CC(O)C(O)C(O)C1CNC(=S)O1 MOL28717
-O=c1oc2ncccc2n1Cc1ccc([N+](=O)[O-])cc1 MOL28718
-N#Cc1c(N)nc([Se]CC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1 MOL28719
-CC1(C)CC(=O)C2=C(C1)OC(N)=C(c1nc(-c3ccccc3)cs1)C2c1ccc(Br)cc1 MOL28720
-NC(=S)C1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(Br)cc1 MOL28721
-NC1=C(c2nc(-c3ccccc3)cs2)C(c2ccc(Br)cc2)c2c(c3ccccc3oc2=O)O1 MOL28722
-NC1=C(c2nc(-c3ccccc3)cs2)C(c2ccco2)c2c(c3ccccc3oc2=O)O1 MOL28723
-NC1=C(c2nc(-c3cc4ccccc4oc3=O)cs2)C(c2ccco2)c2c(c3ccccc3oc2=O)O1 MOL28724
-CC1(C)CC(=O)c2c(nc(S)c(C#N)c2-c2ccc(Br)cc2)C1 MOL28725
-C1COCCN1.CN(C)c1ccc(-c2c(C#N)c(N)nc(S)c2C#N)cc1 MOL28726
-CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccccc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccccc1 MOL28727
-CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccc(F)cc1 MOL28728
-CC1(C)CC(=O)C2=C(C1)NC(SSC1=C(C#N)C(c3ccc(Br)cc3)C3=C(CC(C)(C)CC3=O)N1)=C(C#N)C2c1ccc(Br)cc1 MOL28729
-CC(=O)c1c(C)nc(SSc2nc(C)c(C(C)=O)c(-c3ccc(Cl)cc3)c2C#N)c(C#N)c1-c1ccc(Cl)cc1 MOL28730
-CC1(C)CC(=O)C2=C(C1)NC(=S)C(C#N)C2c1ccccc1 MOL28731
-CC(c1ccccc1)N1CC(=O)N(C(C)c2ccccc2)C1=O MOL28732
-O=C(c1cccs1)N1CCc2ccccc2C1 MOL28733
-Cl.NC1c2c(I)sc(I)c2C(=O)C1O MOL28734
-Cl.NC1c2c(csc2Br)C(=O)C1O MOL28735
-Cl.NC1c2c(Br)sc(N3CCOCC3)c2C(=O)C1O MOL28736
-COc1cc2c(c(OC)c1OC)C(=O)C(O)C2N.Cl MOL28737
-Cl.NC1c2c(Cl)cccc2C(=O)C1O MOL28738
-O=C(O)C(=O)O.O=C(OCCN1CCOCC1)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2 MOL28739
-CCN(CC)C(=O)C1CC(O)CN1C(=O)c1ccc(OC)c(OC)c1 MOL28740
-COc1cc(C(=O)N2CC(O)CC2C(=O)O)cc(OC)c1OC MOL28741
-NC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2 MOL28742
-CCOC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCCO2 MOL28743
-CN(C)CCCOC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)OCO2.O=C(O)C(=O)O MOL28744
-CC1ON2CCCC2C1C(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C MOL28745
-CC1=NC(=O)CNN1C1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12 MOL28746
-O=C1N=C2NN=C(c3ccc(Br)cc3)CN2NC12c1ccccc1-c1ccccc12 MOL28747
-[N-]=[N+]=NC1=NNC2(C(=O)N1)c1ccccc1-c1ccccc12 MOL28748
-O=C1NNC2NC(=O)C3(NN2C1=O)c1ccccc1-c1ccccc13 MOL28749
-O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(Cl)cc1 MOL28750
-O=C1NN(C2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C(c2ccccc2)=NC1=Cc1ccc(O)cc1 MOL28751
-COc1cc(C=C2N=C(c3ccccc3)N(C3=NNC4(C(=O)N3)c3ccccc3-c3ccccc34)NC2=O)ccc1O MOL28752
-C=CCN1C(=O)CC(=O)N(NC2=NNC3(C(=O)N2)c2ccccc2-c2ccccc23)C1=S MOL28753
-O=C1C(C=Cc2ccc(Cl)cc2)=NNC2N1N=C1NC(=O)C3(NN12)c1ccccc1-c1ccccc13 MOL28754
-O=C1Nc2n[nH]c(=S)n2NC12c1ccccc1-c1ccccc12 MOL28755
-COc1cccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c1O MOL28756
-COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc1 MOL28757
-COc1ccccc1C1c2cc3c(cc2OC(N2CCOCC2)C1C)OCO3 MOL28758
-COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1OC MOL28759
-COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1OC MOL28760
-COc1cccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c1OC MOL28761
-COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1 MOL28762
-CC1C(c2ccc3c(c2)OCO3)c2cc3c(cc2OC1N1CCCCC1)OCO3 MOL28763
-CC1C(c2ccc3c(c2)OCO3)c2cc3c(cc2OC1N1CCOCC1)OCO3 MOL28764
-COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)ccc1O MOL28765
-CCC1C(c2cccc(OC)c2O)c2cc3c(cc2OC1N1CCCC1)OCO3 MOL28766
-COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc1OC MOL28767
-COc1ccccc1C1c2cc3c(cc2OC(N2CCCC2)C1C)OCO3 MOL28768
-CCC1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC1N1CCCC1)OCO3 MOL28769
-COc1ccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1OC MOL28770
-COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c1 MOL28771
-CC1C(c2ccc(F)cc2)c2cc3c(cc2OC1N1CCCC1)OCO3 MOL28772
-CC1C(c2ccc(Cl)cc2)c2cc3c(cc2OC1N1CCOCC1)OCO3 MOL28773
-CC1C(c2ccc3c(c2)OCO3)c2cc3c(cc2OC1N1CCCC1)OCO3 MOL28774
-CC1C(c2ccc(N(C)C)cc2)c2cc3c(cc2OC1N1CCCC1)OCO3 MOL28775
-CC1C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc3c(cc2OC1N1CCOCC1)OCO3 MOL28776
-COc1ccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc1 MOL28777
-COc1cccc(C2c3cc4c(cc3OC(N3CCCC3)C2c2ccccc2)OCO4)c1O MOL28778
-COc1cc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc(OC)c1OC MOL28779
-COc1cc(OC)c(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c(OC)c1 MOL28780
-CCN(CC)C1CCC(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)CC1 MOL28781
-COc1cc(OC)c(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)c(OC)c1 MOL28782
-O=C(OCCc1ccccc1)c1cc2cc(O)c(O)cc2cn1 MOL28783
-COC(=O)c1cc2ccc(O)c(O)c2cn1 MOL28784
-O=C(NCc1ccccc1)c1cc2ccc(O)c(O)c2cn1 MOL28785
-O=C(NCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1 MOL28786
-O=C(NCc1ccccc1)c1cc2cc(O)c(O)cc2cn1 MOL28787
-COC(=O)c1cc2cc(O)c(O)cc2cn1 MOL28788
-O=C(OCCc1ccccc1)c1cc2ccc(O)c(O)c2cn1.O=S(=O)(O)O MOL28789
-N=c1oc2c(O)c(O)ccc2cc1C(N)=O MOL28790
-N=c1oc2cc(O)c(O)cc2cc1C(N)=O MOL28791
-N#CC(=Cc1ccc(O)c(O)c1)C(N)=O MOL28792
-O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O MOL28793
-O=C(OCCc1ccccc1)c1ccc2c(O)c(O)ccc2c1 MOL28794
-COc1ccc(C=CC(=O)OCCc2ccccc2)cc1OC MOL28795
-COc1cc(C=CC(=O)OCCc2ccccc2)ccc1O MOL28796
-COc1ccc(C=CC(=O)OCCc2ccccc2)cc1O MOL28797
-COc1ccc(C=C(C#N)c2cccnc2)cc1OC MOL28798
-Cc1ccc2ccc3c(-c4ccccc4)cc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3ccc4c(-c5ccccc5)cc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28799
-Cc1ccc2cc(NC(=O)CBr)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(NC(=O)CBr)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28800
-CC(=O)Nc1cc2ccc(C)[n+]3c2c2c1ccc(C)[n+]2[Cu-3]31[n+]2c(C)ccc3cc(NC(C)=O)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28801
-Cc1ccc2cc(N)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(N)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28802
-Cc1c(C)c2ccc3c(C)c(C)c(C)[n+]4c3c2[n+](c1C)[Cu-3]41[n+]2c(C)c(C)c(C)c3ccc4c(C)c(C)c(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28803
-Cc1ccc2cc(NC(=O)CN)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(NC(=O)CN)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28804
-Cc1ccc2cc([N+](=O)[O-])c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc([N+](=O)[O-])c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28805
-Cc1ccc2ccc3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3ccc4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28806
-Cc1ccc2cc(-c3ccccc3)c3ccc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)ccc3cc(-c4ccccc4)c4ccc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28807
-Cc1c[n+]2c3c(ccc4c(C)c(C)c(C)[n+](c43)[Cu-3]23[n+]2cc(C)c(C)c4ccc5c(C)c(C)c(C)[n+]3c5c42)c1C.O=C1OC(C(O)C[O-])C(O)=C1O MOL28808
-Cc1c[n+]2c3c(ccc4c(C)c(C)c[n+](c43)[Cu-3]23[n+]2cc(C)c(C)c4ccc5c(C)c(C)c[n+]3c5c42)c1C.O=C1OC(C(O)C[O-])C(O)=C1O MOL28809
-Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)[n+]4c3c2[n+]1[Cu-3]41[n+]2c(C)cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(C)[n+]1c4c32.O=C1OC(C(O)C[O-])C(O)=C1O MOL28810
-COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCCCNC(=N)N)=NO2 MOL28811
-COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(C(O)CNC(C)=O)cc1Br)=NO2 MOL28812
-S=c1sc2c(s1)SCc1cccc(n1)CSc1sc(=S)sc1SCc1cccc(n1)CS2 MOL28813
-S=c1sc2c(s1)SCCCCSCCCCSc1sc(=S)sc1SCCCCSCCCCS2 MOL28814
-CC1=C(C#N)c2nc3ccccc3n2C(=O)C1(C)CCO MOL28815
-N#Cc1c(O)c(N=Nc2ccccc2F)c(=O)n2c1[nH]c1ccccc12 MOL28816
-Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(Cl)cc1)CC2 MOL28817
-Cc1c2c(n3c(nc4ccccc43)c1C#N)N(c1ccc(F)cc1)CC2 MOL28818
-Cc1ccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1 MOL28819
-CCCCCCN1CCc2c(C)c(C#N)c3nc4ccccc4n3c21 MOL28820
-COc1cccc(N2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)c1 MOL28821
-COc1ccc(CCN2CCc3c(C)c(C#N)c4nc5ccccc5n4c32)cc1OC MOL28822
-Cc1nc2ccc(F)cc2c2c1CCN2c1ccc(Cl)cc1 MOL28823
-COc1cc(OC)c2nc(C)c3c(c2c1)NCC3 MOL28824
-CCc1c(O)nc(Nc2nc3ccccc3[nH]2)nc1O MOL28825
-Oc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1-c1ccccc1 MOL28826
-Oc1nc(Nc2nc3ccccc3[nH]2)nc2c1CCC2 MOL28827
-Cc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1CCO MOL28828
-Cc1cc(Cl)nc(Nc2nc3ccccc3[nH]2)n1 MOL28829
-Cc1nn(-c2ncc(C(=O)O)c(O)n2)c(O)c1CCO MOL28830
-N=C(N)n1nc2c(c1O)CCC2 MOL28831
-Cc1nc2ccc(Cl)cc2c(-n2ccnc2)c1CCn1ccnc1 MOL28832
-Cc1nn(C(=N)N)c(O)c1CCO MOL28833
-CC(=O)OC(OC(C)=O)c1c2ccccc2cc2ccccc12 MOL28834
-CC(=O)OC(OC(C)=O)c1ccc2ccc3cccc4ccc1c2c34 MOL28835
-O=C(C(=C(Br)I)c1ccccc1)c1ccccc1 MOL28836
-Cn1c(=O)c2c(nc3sc4c(n32)C(=O)c2c(O)ccc(O)c2C4=O)n(C)c1=O MOL28837
-Cn1c(=O)c2c(nc3sc4nc5ccccc5nc4n32)n(C)c1=O MOL28838
-c1ccc2nc3c(nc2c1)sc1nc2ccccc2n13 MOL28839
-O=C1c2ccccc2C(=O)c2c1sc1nc3ccccc3n21 MOL28840
-OC1CSc2nc3ccccc3n2C1 MOL28841
-N#Cc1cccc2c1Sc1ccccc1N2 MOL28842
-COc1ccc(-c2[nH]c(-c3ccc(OC)cc3)c(-c3ccccn3)c2-c2ccccn2)cc1 MOL28843
-c1ccc(-c2c(-c3cccs3)[nH]c(-c3cccs3)c2-c2ccccn2)nc1 MOL28844
-CC(=O)OCC(C)(COC(C)=O)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O MOL28845
-CC(CO)(CO)N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O MOL28846
-CC(CO)(CO)N1C(=O)C2C3C=CC(C3)C2C1=O MOL28847
-O=C1NN(c2ccccc2)C(=O)C2C3c4ccccc4C(c4ccccc43)C12 MOL28848
-N#Cc1c(S)nc2c(c1-c1cccc3ccccc13)CCCC2 MOL28849
-CCc1cc(-c2cccc3ccccc23)c(C#N)c(S)n1 MOL28850
-CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1cccc2ccccc12 MOL28851
-CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccc(OC)cc1 MOL28852
-CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccco1 MOL28853
-Cc1nc(S)c(C#N)c(C)c1C MOL28854
-CCOC(=O)c1c(C)nc(S)c(C#N)c1-c1ccc(Cl)cc1 MOL28855
-CCc1c(-c2ccccc2)nc(S)c(C#N)c1C MOL28856
-COc1ccc(-c2c(C#N)c(S)nc3c2CCC3)cc1 MOL28857
-CC(=O)OCC1OC(n2c(C)cc(-c3ccc(Cl)cc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL28858
-CC(=O)OCC1OC(n2c(C)cc(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL28859
-CCc1cc(-c2ccc(OC)cc2)c(C#N)c(=S)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL28860
-CC(=O)OCC1OC(n2c(C)cc(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL28861
-CCc1cc(-c2ccco2)c(C#N)c(=S)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL28862
-CCc1cc(-c2ccc(OC)cc2)c(C#N)c(=S)n1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL28863
-CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C MOL28864
-Cc1cc(-c2ccco2)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O MOL28865
-CCc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O MOL28866
-COc1ccc(-c2cc(C)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL28867
-CCc1cc(-c2ccc(OC)cc2)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O MOL28868
-O=c1c2ccccc2nc(NN=Cc2ccccc2O)n1-c1ccccc1 MOL28869
-O=c1c2ccccc2nc(NN=Cc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 MOL28870
-COc1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 MOL28871
-CCOC(=O)Cc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 MOL28872
-Cc1cc(C)n(-c2nc3ccccc3c(=O)n2-c2ccccc2)n1 MOL28873
-O=c1c2ccccc2n2c(=S)[nH]nc2n1-c1ccccc1 MOL28874
-O=c1c2ccccc2nc(NN=Cc2ccc(Cl)cc2)n1-c1ccccc1 MOL28875
-O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1-c1ccccc1 MOL28876
-CN(C)c1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 MOL28877
-COc1cc(OC)c(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c(OC)c1 MOL28878
-COc1ccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c(OCc2ccccc2)c1 MOL28879
-O=c1c2ccccc2n2c(-c3ccc(O)cc3)nnc2n1-c1ccccc1 MOL28880
-COc1c2cc(C(C)(C)C)cc1CSCc1cc(C(C)(C)C)cc(c1OC)CCCCC2 MOL28881
-c1ccc2[nH]c(CSc3nc4ccccc4[nH]3)nc2c1 MOL28882
-c1ccc2[nH]c(CSc3nc4ccccc4s3)nc2c1 MOL28883
-c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1 MOL28884
-Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1 MOL28885
-CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3O MOL28886
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)Nc1ccc(C=Cc2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL28887
-Nc1ccc(C=Cc2ccc(NS(=O)(=O)c3ccnc4c(O)c(C(=O)O)ccc34)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL28888
-CC(C)=CCN1CC(C)Cn2c(=S)[nH]c3cccc1c32 MOL28889
-CC(=O)NNC1=NN(C(C)=O)C2(S1)C(=O)Nc1ccccc12 MOL28890
-O=C(C=Cc1ccccc1)CC(O)CC1CC=CC(=O)O1 MOL28891
-CC1CC(OP(=O)(OCc2ccccc2)OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 MOL28892
-Cc1ccc(S(=O)(=O)NN=C2CC3CCC2C3)cc1 MOL28893
-O=C1OCC2(CO1)CC1C=CC2C1 MOL28894
-O=C1c2ccccc2C(=O)C2OC12 MOL28895
-OC1c2ccccc2C(O)C2OC12 MOL28896
-c1ccc([Se]C2CCCCCCCCCCC23SCCCS3)cc1 MOL28897
-N#CC1(O)CCCCCCCCCCC1 MOL28898
-C=C1CCCCCCCCCCC1S(=O)c1ccccc1 MOL28899
-Cc1ccc(S(=O)(=O)OC2C3C=CC2C2CSCC32)cc1 MOL28900
-Cc1ccc(S(=O)(=O)NN=CC2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 MOL28901
-Cc1ccc(S(=O)(=O)NN=CC2c3ccccc3-c3ccccc32)cc1 MOL28902
-Cc1ccc(S(=O)(=O)NN=C2CCCOC2)cc1 MOL28903
-COc1ccc2c(c1)CCC1C2CCC2(C)OC(=O)CCC12 MOL28904
-Cc1ccc(S(=O)(=O)NN=C2CCC3(O)CC2(C)CCC2C3CC2(C)C)cc1 MOL28905
-Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2)cc1 MOL28906
-Cc1ccc(S(=O)(=O)NN=C2CCCCCCCCCCC2CN(C)C)cc1 MOL28907
-CSC1(SC)CCCCCCCCCCC1 MOL28908
-CSCCCSC1=CCCCCCCCCCC1 MOL28909
-CSCCCSC1CCCCCCCCCCC1=O MOL28910
-OC1CCCCCCCCCCC1SCCCCl MOL28911
-COC(=O)C1(C(=O)OC)CC(C)=C(C)SCCCS1 MOL28912
-C=C1CCCCCCCCCC=C1SCCCSC MOL28913
-C=C1CCCCCCCCCCC12SCCC2CCCCSC MOL28914
-CCOC(=O)C1CC(C)=C(C)SCCCS1 MOL28915
-COC(=O)C1CCCCCCCCCCC12SCCCS2 MOL28916
-CS(=O)(=O)OCC1CCCCCCCCCCC12SCCCS2 MOL28917
-CCOC(=O)C1CC2=C(CCCCCCCCCC2)SCCCS1 MOL28918
-c1ccc(SC2(Sc3ccccc3)CCCCCCCCCCC2)cc1 MOL28919
-COC(=O)C1(CCCCCBr)CCCCCCCCCCC1=O MOL28920
-O=C1CCCCCCCCCCC1CCCCCBr MOL28921
-O=C(O)C1=C(C(=O)O)C2CCC1C2 MOL28922
-CC1(C)CC(C)(C)C1=NNC(N)=O MOL28923
-Cc1ccc(S(=O)(=O)NN=C2C(C)(C)CC2(C)C)cc1 MOL28924
-O=C(O)C1CC2C3CCC2C1C3=O MOL28925
-Cl.NC1CC2C3CCC2C1C3=O MOL28926
-Cc1ccc(S(=O)(=O)NN=C2CC3C4CCC3C2C4)cc1 MOL28927
-OC1C2CCC3C2CC(C(O)(c2ccccc2)c2ccccc2)C13 MOL28928
-Cc1ccc(S(=O)(=O)NN=C2CC3C4C=CC3C2C4)cc1 MOL28929
-O=[N+]([O-])c1ccc(OC2CC3C4C=CC3C2C4)c([N+](=O)[O-])c1 MOL28930
-O=C1C2CCC3C1C(C(=O)O)C(C(=O)O)C23 MOL28931
-O=[N+]([O-])c1ccc(OC2CC3C4C=CC3C2C4)c([N+](=O)[O-])c1 MOL28932
-COC(=O)C1=C(C(=O)OC)C2C3CC4C(C13)C42 MOL28933
-O=C1CC2C3CC1C2C(=O)O3 MOL28934
-COC(=O)C1C2CC3C1C3C2C(=O)OC MOL28935
-C=C1C2CC3CCC2C(OC(=O)c2ccccc2C(=O)O)C13 MOL28936
-CC(=O)OC1C2CCC3CC2C2(SCCS2)C31 MOL28937
-O=C(O)C1C2CC3C(C2=O)C31 MOL28938
-COC(=O)C1C2CC3C(C2=O)C31 MOL28939
-COC(=O)CC1C2CC3C(C2=O)C13 MOL28940
-N#CCC1C2CC3C(C2=O)C13 MOL28941
-COC1(OC)C2(Cl)CCC1(Cl)C(OC(C)=O)C2 MOL28942
-COC1(OC)C=CC2C1C1C=CC2C1(OC)OC MOL28943
-COC(=O)CC1C2CCC1C(=O)C2 MOL28944
-O=C(O)CC1CC2CC(=O)C1C2 MOL28945
-CC(=O)OC1CC2CC(=O)CC1N2C MOL28946
-OC(C1CCCCCCCCCC1)C(O)C1CCCCCCCCCC1 MOL28947
-Cc1ccc(S(=O)(=O)NCNS(=O)(=O)c2ccc(C)cc2)cc1 MOL28948
-CC(NS(C)(=O)=O)c1ccccc1 MOL28949
-NC(=O)NN=C1C2CC3CC(C2)C1C3 MOL28950
-Cc1ccc(S(=O)(=O)NN=C2C3CC4CC(C3)C2C4)cc1 MOL28951
-O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2ccccc2)c1 MOL28952
-Nc1ccc(C2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 MOL28953
-O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2ccccc2Cl)c1 MOL28954
-O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2ccc(Cl)cc2Cl)c1 MOL28955
-CN(C)c1ccc(C2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 MOL28956
-O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CSC2c2c(O)ccc3ccccc23)c1 MOL28957
-CC1C2CC3(CC(=O)O2)C(C)CC(O)C3(O)C1(C)CO MOL28958
-CC(C)(C)C1=CC(=C(c2ccc(-c3c4ccc(n4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc([nH]4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc(n4)c(-c4ccc(C(=C5C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C5)c5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)c4ccc3[nH]4)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O MOL28959
-O=C1C(=Nc2ccccc2)Oc2cc(O)ccc21 MOL28960
-O=C1C(=Nc2ccc(Nc3ccccc3)cc2)Oc2ccccc21 MOL28961
-N#CCCC1(CCC#N)CCc2ccccc2C1=O MOL28962
-CC1(C)OC(C(C)(C)O)C(C(C)(C)O)O1 MOL28963
-CC(=O)NC1c2ccccc2C(C)(C)C12CCC1(CC2)OCCO1 MOL28964
-COC(=O)C1CC2(CCC1=O)Cc1ccccc1C2=O MOL28965
-O=C1c2ccccc2CC12CCC1(CC2)OCCO1 MOL28966
-CC1(C)c2ccccc2C(O)C12CCC(=O)CC2 MOL28967
-O=C1CCC2(CC1)Cc1ccccc1C2O MOL28968
-CC1(C)c2ccccc2C(=O)C12CCC(=O)CC2 MOL28969
-O=C(O)c1cccc(P(=O)(O)O)c1 MOL28970
-O=P(O)(O)c1ccc(-c2ccc(I)cc2)cc1 MOL28971
-O=P(O)(Cc1ccccc1)c1ccccc1-c1ccccc1 MOL28972
-CP(C)(=S)P(C)(C)=S MOL28973
-COP(=O)(Cc1ccccc1)Cc1ccccc1 MOL28974
-O=C(O)CCC(=O)c1ccc2c(c1)C(C(=O)O)CC2 MOL28975
-O=C(O)CCCc1ccc2c(c1)C(C(=O)O)CC2 MOL28976
-CC(C)OC(=O)C1(C(C)C)CCc2ccc(C(=O)CCC(=O)O)cc21 MOL28977
-O=C1CCc2cc3c(cc21)C(C(=O)O)CC3 MOL28978
-O=C1CCCc2cc3c(cc21)CCC3C(=O)O MOL28979
-Cc1ccc2c(c1)Nc1ccccc1P2(=O)O MOL28980
-Cc1ccc2c(c1)Nc1cc(C(F)(F)F)ccc1[PH]2=O MOL28981
-c1ccc(P2c3ccccc3Nc3ccccc32)cc1 MOL28982
-O=[PH]1c2ccccc2Nc2ccccc21 MOL28983
-[Cl-].c1ccc2c(c1)Nc1ccccc1[P+]21c2ccccc2Nc2ccccc21 MOL28984
-c1ccc2c(c1)N=c1ccccc1=P21c2ccccc2Nc2ccccc21 MOL28985
-O=P1(O)c2ccccc2CCc2ccccc21 MOL28986
-O=P1(c2ccccc2)c2ccccc2CCc2ccccc21 MOL28987
-Cc1ccc([N+](=O)[O-])cc1P(=O)(O)c1cc([N+](=O)[O-])ccc1C MOL28988
-O=P1(c2ccccc2)C(c2ccccc2)CCC1c1ccccc1 MOL28989
-[Cl-].c1ccc(C[P+]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 MOL28990
-O=P1(Cc2ccccc2)c2ccccc2-c2ccccc21 MOL28991
-Cc1ccc(Oc2cc(C)ccc2P(=O)(O)O)cc1 MOL28992
-O=C(O)c1ccc(P(=O)(O)c2ccc(C(=O)O)cc2Br)c(Br)c1 MOL28993
-c1ccc(P2c3ccccc3Oc3ccccc32)cc1 MOL28994
-O=P1(c2ccccc2)c2ccccc2-c2ccccc21 MOL28995
-O=P1(O)c2ccccc2-c2ccccc21 MOL28996
-O=P1(O)c2ccccc2Oc2ccccc21 MOL28997
-Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1O2 MOL28998
-Cc1cc([N+](=O)[O-])c2c(c1)P(=O)(O)c1cc(C)cc([N+](=O)[O-])c1O2 MOL28999
-O=C(O)c1cc([N+](=O)[O-])c2c(c1)P(=O)(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1O2 MOL29000
-Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2 MOL29001
-Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2(=O)=O MOL29002
-O=P(O)(O)c1ccccc1Oc1ccccc1 MOL29003
-O=C(O)c1ccccc1P(=O)(O)c1ccccc1 MOL29004
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL29005
-O=C1c2ccccc2C2C1C(c1ccccc1)C1(Cc3ccccc3C1=O)C2c1ccccc1 MOL29006
-CCOC(=O)C(Cc1c2ccccc2cc2ccccc12)(NC(C)=O)C(=O)OCC MOL29007
-Cl.NC(Cc1c2ccccc2cc2ccccc12)C(=O)O MOL29008
-O=CC12c3ccccc3C(c3ccccc31)C1C(=O)NC(=O)C12 MOL29009
-O=C1CCC2=C(CCC2)N1CCc1ccc2c(c1)OCO2 MOL29010
-O=S(CC1(O)CCCCC1)c1ccccc1 MOL29011
-CC1(C)CC(O)C(C)(C)C(O)C1 MOL29012
-CC(C1CCCC1=O)C1CCCC1=O MOL29013
-O=C1CCCC2C(O)CCCC12 MOL29014
-CC12CCCC(=O)C1(C)CCC2=O MOL29015
-CC12CCCC(O)C1(C)CCC2=O MOL29016
-CC1=C2CC(C)(C)CC(=O)C2(C)CCC1=O MOL29017
-CC=CC1(OC(=O)c2ccccc2)CC2CCCCC21 MOL29018
-CCCCCCC1CC(=O)C1(Cl)Cl MOL29019
-C=C(C)C1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC2CCCCC21 MOL29020
-CC1(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC2CCCCC21 MOL29021
-CC1(C)C(=O)C(C)(C)C(=O)C(C)(C)C1=O MOL29022
-CCOC(=O)C1(C#N)CC1 MOL29023
-CCOP(=O)(CC(=O)C1CC1)OCC MOL29024
-C[Si](C)(C)C#CCOC=C1CC1 MOL29025
-CCOC(=O)C(CC(C(=O)OCC)C(=O)OCC)C(=O)OCC MOL29026
-CC(=O)C(C)(C)CCC(C)(C)C(C)=O MOL29027
-CCOC(=O)CC(c1ccccc1)C(C)(C(=O)OCC)C(=O)OCC MOL29028
-CC1(C)CC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)C1 MOL29029
-C=C(C)C1CC(=O)C(C)=C(O)C1 MOL29030
-CC12CCC(C(Br)C1=O)C2(C)CBr MOL29031
-CC1(C)OC(=O)C(C)(C)C(=O)O1 MOL29032
-CC1(C)OC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)O1 MOL29033
-O=C(O)C1(C(=O)O)CC1(C(=O)O)C(=O)O MOL29034
-CCOC(=O)C1(C(=O)OCC)CC1(C(=O)OCC)C(=O)OCC MOL29035
-O=C1CCC23CC(=O)OC2CCCC3C1 MOL29036
-O=C1CC23CCC4(CC2CCCC3O1)OCCO4 MOL29037
-O=C1C=C2CCCC3OC(=O)CC23CC1 MOL29038
-O=C1CC23CCC4(CC2=CCCC3O1)OCCO4 MOL29039
-C=CCC12CCC(=O)C=C1CCCC2=O MOL29040
-CC1C(=O)CCC2(C)C(=O)CCCC12O MOL29041
-C=CC1(O)CCCC2(C)C(=O)CCC12C MOL29042
-C#CC1(O)CCCC2=CC3(CCC21C)SCCS3 MOL29043
-CC1CCC(O)C(C)C12CC=CC2=O MOL29044
-O=C1C2CCC3C(=O)C(Cl)(Cl)C3CCC2C1(Cl)Cl MOL29045
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncncc12 MOL29046
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2ncncc12 MOL29047
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2nccnc12 MOL29048
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncncc12 MOL29049
-O=c1[nH]c(=S)c2cncnc2n1C1OC(CO)C(O)C1O MOL29050
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2nccnc12 MOL29051
-COC(=O)CC(C)(NS(=O)c1ccc(C)cc1)c1ccccc1 MOL29052
-CC(C)CCCC(C)C1CCC2C3CC(CCC=C(c4cc(Cl)c(O)c(C(=O)O)c4)c4cc(Cl)c(O)c(C(=O)O)c4)C4CCCCC4(C)C3CCC12C.N MOL29053
-Cc1cc(C)n(C(C)(C(=O)Cc2ccccc2)n2nc(C)cc2C)n1 MOL29054
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN)ncnc32)cc1 MOL29055
-CC[n+]1cnc(N)c2c(-c3ccc(Cl)cc3)cn(-c3ccc(C)cc3)c21.[I-] MOL29056
-CCNC(=O)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1 MOL29057
-O=C(CCc1ccc(O)c(O)c1)OCCc1ccccc1 MOL29058
-COC(=O)c1cc2cc(O)c(O)cc2cn1.Cl MOL29059
-O=C(C=Cc1cc(O)ccc1O)OCCc1ccccc1 MOL29060
-O=C(C=Cc1ccc(O)c(O)c1)OCCCc1ccccc1 MOL29061
-O=C(C=Cc1ccc(O)c(O)c1)OCc1ccccc1 MOL29062
-O=C(C=Cc1ccc(O)c(O)c1O)OCCc1ccccc1 MOL29063
-O=C(C=Cc1cc(O)c(O)cc1O)OCCc1ccccc1 MOL29064
-O=C(OCCc1ccccc1)c1ccc2cc(O)c(O)cc2c1 MOL29065
-COc1ccc2cc(C(=O)NCCc3ccccc3)ccc2c1OC MOL29066
-COc1ccc2cc(C(=O)O)ccc2c1OC MOL29067
-COc1ccc2cc(C(=O)Nc3ccc(O)c(C(=O)O)c3)ccc2c1OC MOL29068
-COc1cc(-c2cc(OC)c(OC)c3ccc(Br)cc23)c2cc(Br)ccc2c1OC MOL29069
-Cc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12 MOL29070
-COc1cc(NCc2ccc3nc(OC)c(OC)nc3c2)cc(OC)c1OC MOL29071
-CCOC(=O)c1ccc(NCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1 MOL29072
-CCOC(=O)c1ccc(NCc2ccc3nc(OC)c(OC)nc3c2)cc1 MOL29073
-COc1nc2ccc(COc3ccc(C(=O)O)cc3)cc2nc1OC MOL29074
-CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(OC)c(OC)nc3c2)cc1)C(=O)OCC MOL29075
-COc1cc(NCc2ccc3nc(-c4ccccc4)c(N)nc3c2)cc(OC)c1OC MOL29076
-CC(C)(C)C1=C(Br)C(C(C)(C)C)OP1(=O)O MOL29077
-CC(C)(C)C1=C(Br)C(OC(=O)C(F)(F)F)(C(C)(C)C)OP1(=O)c1ccccc1 MOL29078
-CC(C)(C)C1=C(Br)C(F)(C(C)(C)C)OP1(=O)c1ccccc1 MOL29079
-CC(C)(C)C1=C(Br)C(Br)(C(C)(C)C)OP1(=O)c1ccccc1 MOL29080
-CC1(C)OP(=O)(c2ccccc2)C=C1Br MOL29081
-COC1(C(C)(C)C)C=C(C(C)(C)C)P(=O)(O)O1 MOL29082
-CC1=CC(c2ccccc2)OP1(=O)c1ccccc1 MOL29083
-O=P1(O)C=CC2(CCCC2)O1 MOL29084
-CC1(C)OP(=O)(O)C=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL29085
-CCOP1(=O)C=C(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 MOL29086
-CC1(C)OP(=O)(c2ccccc2)C=C1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL29087
-CC(C)=C=CP(=O)(O)c1ccccc1 MOL29088
-CCOP(=O)(C=C=C(C)C)OCC MOL29089
-O=P(O)(O)C=C=C1CCCCC1 MOL29090
-CC(C)(C)C=C=C(C(C)(C)C)P(=O)(O)O MOL29091
-CCOP(=O)(C=C=C1CCC2C3CCc4cc(OC)ccc4C3CCC12C)OCC MOL29092
-COc1ccc2c(c1)CCC1C2CCC2(C)C(=C=CP(=O)(O)O)CCC12 MOL29093
-CC(O)(C=Cc1ccccc1)P(=O)(O)c1ccccc1 MOL29094
-CC(C)(O)C=CP(C)(=O)c1ccccc1 MOL29095
-CC(C)(O)C=CP(=O)(O)O.[KH] MOL29096
-C1CCC(NC2CCCCC2)CC1.CC1(C)OP(=O)(O)CC1=O MOL29097
-O=C(C#CP(=O)(O)c1ccccc1)c1ccccc1 MOL29098
-OC(C#CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 MOL29099
-COC1(OC)CCCCCCCCC(OC)(OC)CCCCCCCC1 MOL29100
-OC1(c2ccccc2)CCCCCCCCC(O)(c2ccccc2)CCCCCCCC1 MOL29101
-C#CC1(O)CCCCCCCCC2(CCCCCCCC1)OCCO2 MOL29102
-C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2 MOL29103
-C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2 MOL29104
-CC1(C)CS(=O)(=O)CC(C)(C)C(=O)C1=O MOL29105
-CC(C)=C=CC(C)(C)NS(=O)(=O)NC(C)(C)C=C=C(C)C MOL29106
-CC1(C)CSCC(C)(C)C(=NN)C1=NN MOL29107
-CC1(C)CS(=O)(=O)CC(C)(C)C(=NN)C1=NN MOL29108
-O=C(O)CCC1(CCC(=O)O)CCCCCCCCC(CCC(=O)O)(CCC(=O)O)C(=O)C1=O MOL29109
-N#CCCC1(CCC#N)CCCCCCCCC(CCC#N)(CCC#N)C(=O)C1=O MOL29110
-O=C1C(=O)C(CCCO)(CCCO)CCCCCCCCC1(CCCO)CCCO MOL29111
-COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O MOL29112
-N#CCCC1(CCC#N)CCCCCCCCC(CCC#N)(CCC#N)C(O)C1O MOL29113
-CCOC(=O)CCC1(CCC(=O)OCC)CCCCCCCCC(CCC(=O)OCC)(CCC(=O)OCC)C(=O)C1=O MOL29114
-N#CCCC1(CCC#N)CCCCCCC(CCC#N)(CCC#N)C(O)C1O MOL29115
-N#CCCC1(CCC#N)CCCCCCC(CCC#N)(CCC#N)C(=O)C1=O MOL29116
-COC(=O)CCC1(CCC(=O)OC)CCCCCCC(CCC(=O)OC)(CCC(=O)OC)C(=O)C1=O MOL29117
-O=C(O)CCCC#CCCCC(=O)O MOL29118
-COC1CC(n2ccc(=O)[nH]c2=O)OC1CO MOL29119
-CC1C2CC3(c4ccccc4)CC(C2=NO)C(=NO)C1C3(C)O MOL29120
-CC1(O)C2CC3CC1(c1ccccc1)CC(C3=NO)C2=NO MOL29121
-C=C(C)C12CC3C(=NO)C(C1)C(C)C(C3=NO)C2(C)O MOL29122
-ON=C1C2CC3C(=NO)C1CC(c1ccccc1)(C2)C3=NO MOL29123
-CC1C2CC3(c4ccccc4)CC(C2=NO)C(=NO)C1C3=CO MOL29124
-ON=C1CCC2CC3(Cc4ccccc4)CC1C2(N1CCOCC1)CC3=NO MOL29125
-ON=C1CC2(N3CCOCC3)CCC1(Cc1ccccc1)CC2 MOL29126
-CC12CC3CCC(=NO)C(C1)C3(N1CCOCC1)CC2=NO MOL29127
-CC(C)CNC(=O)CCc1cccc2c1oc1c(CCN)cccc12 MOL29128
-Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c(SCC(=O)O)cc1Cl MOL29129
-Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1 MOL29130
-Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc(Cl)cc3)n[nH]2)c(S)cc1Cl MOL29131
-COc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc1 MOL29132
-COc1cccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)c1 MOL29133
-COc1cc(Nc2n[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2)cc(OC)c1OC MOL29134
-Cc1cc(S(=O)(=O)Nc2nc(Nc3ccc4ccccc4c3)n[nH]2)c(S)cc1Cl MOL29135
-CC(=O)Oc1cc(S(=O)(=O)Nc2nc(=N)[nH][nH]2)c(S)cc1Cl MOL29136
-CC(=O)Oc1cc(S(=O)(=O)Nc2nc(Nc3ccc(C)cc3)n[nH]2)c(S)cc1Cl MOL29137
-Cc1ccc(Nc2n[nH]c(NS(=O)(=O)c3cc(C(=O)Nc4ccc(Cl)cc4)c(Cl)cc3S)n2)cc1 MOL29138
-COC(=O)c1ccc(S)c(S(=O)(=O)Nc2nc(=N)[nH][nH]2)c1 MOL29139
-Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)cc1Cl MOL29140
-Cc1cc(S(=O)(=O)Nc2nnc3ccccn23)c(S)cc1Cl MOL29141
-CC1(C)OCC(O)C(C#N)CO1 MOL29142
-C=C(C)C1CCC(C)(O)C(C#N)C1 MOL29143
-CC(C)(C)OCC(O)CC#N MOL29144
-N#CCC(O)COc1ccccc1 MOL29145
-CC1(C)OCC(O)C(Br)CO1 MOL29146
-CC(=O)C(=C(I)I)c1ccccc1 MOL29147
-CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCOCC3)c12 MOL29148
-CS(=O)(=O)O.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCOCC3)c12 MOL29149
-O=[N+]([O-])c1ncc(N(CCO)CCO)s1 MOL29150
-O=[N+]([O-])c1cnc(N(CCO)CCO)s1 MOL29151
-CC(N)C(O)CC=CCC(O)C=CC=CCC=CCC=CCC=CCCCCCCC(O)C(C)N MOL29152
-CC(N)C(O)CC=CCC=CCC=CCC=CCC=CCC=CCCCCCCC(O)C(C)N MOL29153
-CN(C)c1cccc2c(S(=O)(=O)NCCN)cccc12 MOL29154
-CN(C)c1cccc2c(S(=O)(=O)NCCCNCCN)cccc12 MOL29155
-CN(C)c1cccc2c([SH](=O)=O)cccc12.[NaH] MOL29156
-O=C(O)C(=O)Cc1ccc(O)cc1 MOL29157
-c1ccc(NN=C2CC(c3ccccc3)Oc3ccccc32)cc1 MOL29158
-NN=C1CC(c2ccccc2)Oc2ccccc21 MOL29159
-ON=C1CC(c2ccccc2)Oc2ccccc21 MOL29160
-CC(=O)NN=C(C=Cc1ccccc1)c1ccccc1OC(C)=O MOL29161
-CC(=O)N(N=C1CC(c2ccccc2)Oc2ccccc21)C(C)=O MOL29162
-O=C(C=Cc1ccc(O)cc1)c1ccc2c(c1)OCO2 MOL29163
-COc1cc(C=CC(=O)c2ccc(O)c(OC)c2)ccc1O MOL29164
-CC(C)(C)C(=O)Oc1ccc(C=CC(=O)c2ccc(OC(=O)C(C)(C)C)cc2)cc1 MOL29165
-O=C1C(=Cc2ccc(O)cc2)CCC1=Cc1ccc(O)cc1 MOL29166
-O=C1C(=Cc2ccc(O)c(O)c2)CCC1=Cc1ccc(O)c(O)c1 MOL29167
-CC1CC(=Cc2ccc(O)c(O)c2)C(=O)C(=Cc2ccc(O)c(O)c2)C1 MOL29168
-CC1CC(=Cc2ccc(OC(=O)C(C)(C)C)cc2)C(=O)C(=Cc2ccc(OC(=O)C(C)(C)C)cc2)C1 MOL29169
-CO.COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1 MOL29170
-CC(=O)O.Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc2nc(N)nc(N)c12 MOL29171
-C=CC1C(CO)=CCC2C1CCC1C(C)(C)C(=O)CCC21C MOL29172
-C=CC1(C)CC2CCC3(C)C(C)=CC(=O)CC3C2(C)CC1O MOL29173
-CC(CCC1(C)C(=O)CCC2OC21C)C1CC(c2ccoc2)OC1=O MOL29174
-CC1CCC2(C)C3(C)CCC2(OC3=O)C12CC(c1ccoc1)OC2=O MOL29175
-CC(=O)OCc1cccc(O)c1C(=O)CCC=C(C)C MOL29176
-Cc1cccc2oc3c(c(=O)c12)CC(O)C(C)(C)O3 MOL29177
-COc1cc(CCCOC(=O)C=Cc2ccc(O)c(O)c2)cc(O)c1O MOL29178
-C=C(COC(=O)C(C)C)C1Oc2ccc(C(C)=O)cc2C1OC(=O)C(C)C MOL29179
-C=C(CO)C1Oc2ccc(C(C)=O)cc2C1O MOL29180
-CC(=O)OCC1=C2C(OC(=O)C(C)C)CC3(COC(C)=O)OC3C=CC3(C)OC3C2OC1=O MOL29181
-C=C1C(=O)OC2C1C(OC(=O)C(C)(O)C(C)OC(C)=O)C=C(C)C1CC(OC(C)=O)C(=C)C12 MOL29182
-C=C1C(=O)OC2C1C(OC(=O)C(C)(OC(C)=O)C(C)OC(C)=O)C=C(C)C1CC(OC(C)=O)C(=C)C12 MOL29183
-C=CC1(C)CC(=O)C(C(C)C=O)C12C(=O)Oc1cccc(C)c1C2=O MOL29184
-CC(=O)OC1C(OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C MOL29185
-CC1(C)Oc2ccc3ccc(=O)oc3c2C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL29186
-COc1ccc(C=C2C=Cc3ccccc32)cc1OC MOL29187
-OCC1CC2Cc3ccccc3N2N1 MOL29188
-NC(=O)NN=C1c2ccccc2-n2nccc21 MOL29189
-Cc1nc(NC(C)(CO)CO)nc2c1C(=O)Nc1ccccc1N2 MOL29190
-Cc1nc(N(CCO)CCO)nc2c1C(=O)Nc1ccccc1N2 MOL29191
-CC(C)(C)C1=C(Br)C(O)(C(C)(C)C)OP1(=O)c1ccccc1 MOL29192
-COc1nc(N)c(NC2OCC(O)C(O)C2O)c(=O)n1C MOL29193
-COc1nc(N)c(NC2OCC(O)C(O)C2O)c(=O)n1C MOL29194
-COc1nc(N)c(NC2OCC(O)C(O)C2O)c(=O)n1C MOL29195
-COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C MOL29196
-COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C MOL29197
-COc1nc(N)c(N=CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(=O)n1C MOL29198
-COc1nc2nc(C(O)C(O)CO)cnc2c(=O)n1C MOL29199
-COc1nc2nc(C(O)C(O)CO)cnc2c(=O)n1C MOL29200
-O=C1Nc2ccccc2Cn2c1cc1oc(-c3ccccc3)cc12 MOL29201
-COc1ccc2c(c1)CCCN1CCc3ccccc3C21.Cl MOL29202
-COc1cc2c(cc1OC)C1c3ccccc3CCN1CC2 MOL29203
-COc1cc2c(cc1OC)C1CCc3ccccc3CN1CC2 MOL29204
-COc1cc2c(cc1OC)C1Cc3ccccc3CN1CCC2 MOL29205
-COc1cc2c(cc1OC)C1C3CCCCC3CCN1CC2.Cl MOL29206
-Cc1cc2occ(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(=O)o1 MOL29207
-Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c2ccccc21 MOL29208
-Cc1cc2oc(C)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(=O)c2c(=O)o1 MOL29209
-CC(C)(C)OC(=O)NC=C1C(=O)Oc2ccccc2C1=O MOL29210
-O=C(NC=C1C(=O)Oc2ccccc2C1=O)Oc1ccccc1 MOL29211
-CC(C)(C)OC(=O)N1Cc2cc(O)ccc2CC1C(=O)O MOL29212
-CCOP(=O)(OCC)C1(O)CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL29213
-NCC#CCNCCCN1CC1 MOL29214
-CCCCCCC1CC(=O)C2CCCCC23CC(Cl)CN13.CCCCCCC1CC(=O)C2CCCCC23CCC(CCl)N13 MOL29215
-COC1=CC(c2ccc(Br)[nH]2)=NC1=CNCC(C)C MOL29216
-CCOC(=O)C(CC(C)=Cc1ccccc1)C(=O)OCC MOL29217
-COC(=O)C(CO)NC(=O)CCC(C)=Cc1ccccc1 MOL29218
-COC(=O)C1COC(CCC(C)=Cc2ccccc2)=N1 MOL29219
-COC(=O)c1coc(CCC(C)=Cc2ccccc2)n1 MOL29220
-CCCC(=O)C(C)=C(OC)OC MOL29221
-Cc1ccc2nc(C=Nc3ccc(Cl)cc3)cc(C)c2c1 MOL29222
-Cc1ccc2nc(C=Nc3ccccc3Cl)cc(C)c2c1 MOL29223
-Cc1ccnn1CCc1ccc(Cl)cc1Cl.Cl MOL29224
-COc1ccc(CCn2nccc2C)cc1.Cl MOL29225
-COc1ccc(CCn2ccc(C)n2)c(OC)c1.Cl MOL29226
-N=C(N)NCCS(=O)(=O)O MOL29227
-NC(=S)NN=C1c2ccccc2CCC1CCC1(O)CCc2ccccc2C1=O MOL29228
-Cl.O=C1C(CN2CCCC2)CCC1CN1CCCC1 MOL29229
-O=C(NN=C1CCCCC1)NN=C1CCCCC1 MOL29230
-Cl.O=C(C=Cc1ccccc1)CCN1CCN(CCC(=O)C=Cc2ccccc2)CC1 MOL29231
-CC1(C)[SH+][Cu-2](O)NC1C(=O)[O-] MOL29232
-CCCCCCCCCCCCCCCC1(OC)C[N+](C)(C)CCO1.[I-] MOL29233
-CC1ON2CCCC2C1C(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C MOL29234
-N#Cc1c(NC(=S)NC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCCC2 MOL29235
-COc1ccc(-c2c(C#N)c(NC(=S)NC(=O)c3ccccc3)nc3c2CCCC3)cc1OC MOL29236
-N#Cc1c(NC(=S)NC(=O)c2ccccc2)nc2c(c1-c1ccccc1)CCC2 MOL29237
-Nc1nc(S)nc2nc3c(c(-c4ccccc4)c12)CCCC3 MOL29238
-CSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3 MOL29239
-CCOC(=O)CSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3 MOL29240
-Nc1nc(SCCc2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3 MOL29241
-Nc1nc(SCC(=O)c2ccccc2)nc2nc3c(c(-c4ccccc4)c12)CCCC3 MOL29242
-CCSc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCC3 MOL29243
-CCSc1nc(N)c2c(-c3ccc(OC)c(OC)c3)c3c(nc2n1)CCCC3 MOL29244
-CCOC(=O)CSc1nc(N)c2c(-c3ccc(OC)c(OC)c3)c3c(nc2n1)CCCC3 MOL29245
-COc1ccc(-c2c3c(nc4nc(SCCc5ccccc5)nc(N)c24)CCCC3)cc1OC MOL29246
-COc1ccc(-c2c3c(nc4nc(SCC(=O)c5ccc(Br)cc5)nc(N)c24)CCCC3)cc1OC MOL29247
-COc1ccc(-c2c3c(nc4nc(S)nc(S)c24)CCCC3)cc1OC MOL29248
-COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(S)nc(S)c23)cc1OC MOL29249
-COc1ccc(-c2c3c(nc4nc(SC)nc(SC)c24)CCCC3)cc1OC MOL29250
-COc1ccc(-c2c(-c3ccccc3)c(C)nc3nc(SC)nc(SC)c23)cc1OC MOL29251
-O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O MOL29252
-CCN(CC)C(=S)S[Fe-](SC(=S)N(CC)CC)SC(CC(=O)O)C(=O)O MOL29253
-c1ccc(N2CCN(c3ccccc3)C2)cc1 MOL29254
-COc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1 MOL29255
-COc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1 MOL29256
-COc1cccc2c1OC(c1ccc(Cl)cc1)C([N+](=O)[O-])=C2 MOL29257
-N#Cc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1 MOL29258
-COc1cccc2c1OC(c1ccc(C#N)cc1)C([N+](=O)[O-])=C2 MOL29259
-O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(O)cc1 MOL29260
-COc1cc(C=C2CC(C)CC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O MOL29261
-O=c1cc(CBr)c2ccc(O)cc2o1 MOL29262
-CCOC(=O)C1=CCOc2cc(N(C)C)ccc21 MOL29263
-CCOC(=O)CC1c2ccc(O)cc2OC(=O)C1c1ccc(N)cc1 MOL29264
-OC1NC2Nc3ccccc3NC2NC1O MOL29265
-O=Cc1c(O)nc(O)nc1C(=O)O MOL29266
-CCOC(=O)Cc1cc(=O)oc2cc(O)ccc12 MOL29267
-N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12 MOL29268
-O=C(O)Cc1nc(O)nc(O)c1CCl MOL29269
-O=C(O)c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c(O)c(Br)cc12.[NaH] MOL29270
-O=C(O)c1nc(O)nc(O)c1I MOL29271
-O=[N+]([O-])c1ccc2c(c1)NC(O)C(O)N2 MOL29272
-Clc1nc2cc3nc(Cl)c(Cl)nc3cc2nc1Cl MOL29273
-Nc1nc2ccccc2nc1N MOL29274
-O=C1OCc2c(O)nc(O)nc21 MOL29275
-Cc1c(O)nc(O)nc1C(=O)O MOL29276
-Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 MOL29277
-O=NC1C(=O)NC(=O)NC1=O MOL29278
-Cc1nc(O)nc(O)c1CO MOL29279
-O=Cc1nc(O)nc(O)c1CO MOL29280
-Cl.Nc1cc(N)c(N)cc1N MOL29281
-Cc1ccc(S(=O)(=O)O)cc1.c1ccc2[nH]c3[nH]c4[nH]c5ccccc5[nH]c4[nH]c3[nH]c2c1 MOL29282
-CN(C)c1cccc(C=C(C#N)c2ccccc2)c1 MOL29283
-CN(C)c1ccc(C=CC=C(C#N)c2ccccc2)cc1 MOL29284
-Cc1ccc2c(c1-c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O MOL29285
-CSc1cc(O)nc(O)n1 MOL29286
-Cc1c([N+](=O)[O-])ccc2c1C(=O)c1ccccc1C2=O MOL29287
-O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21 MOL29288
-c1ccc2nc3nc4ccccc4nc3nc2c1 MOL29289
-Oc1nc2nc3ccccc3nc2nc1O MOL29290
-CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21 MOL29291
-Cc1c(-c2ccc(N)cc2)c(=O)oc2cc(O)ccc12 MOL29292
-CN(C)c1ccc(C=C(C#N)c2ccccc2)cc1 MOL29293
-CCOC(=O)CCc1ccc(NC(=O)C=Cc2ccc([N+](=O)[O-])o2)cc1 MOL29294
-Cc1ccc(C=C(C(=O)O)C(=O)O)o1 MOL29295
-O=C(O)C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)O MOL29296
-O=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2)o1 MOL29297
-O=C(O)Cc1c(-c2ccc([N+](=O)[O-])cc2)c(=O)oc2cc(O)ccc12 MOL29298
-CCN(CC)C(=S)Nc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 MOL29299
-CCOC(=O)CC1c2ccc(O)cc2OC(=O)C1c1ccc([N+](=O)[O-])cc1 MOL29300
-C=C(C(N)=O)c1ccc([N+](=O)[O-])o1 MOL29301
-CC12C(=O)OC(=O)C1(C)C1C=CC2O1 MOL29302
-[N-]=[N+]=NCCCCCCCCCCCC(=O)O MOL29303
-O=C(O)CCCCCCCCCCCCl MOL29304
-O=C(O)CCCCCCCCCc1ccccc1 MOL29305
-CCCCCSCCCCCCCC(=O)O MOL29306
-CSC1=C(SC)C(=O)c2cn(C)c(=O)cc2C1=O MOL29307
-OC1C#CCSCC#CC=C1 MOL29308
-O=C(OC1C#CCSCC#CC=C1)c1cnc2ccccc2n1 MOL29309
-CC1OC(c2c(O)ccc3ccccc23)CC(N(C)C)C1O MOL29310
-CCCCn1c(=O)[nH]c2c(N)ncnc21 MOL29311
-N#Cc1[nH]c(=S)[nH]c1N MOL29312
-O=C(Nc1nc2c(O)ncnc2s1)c1ccccc1 MOL29313
-COc1ccc2c(c1)OCC1c3cc(O)c4c(OC)cccc4c3OC21 MOL29314
-COc1ccc2c(c1)OCC1c3cc(O)c4c(OCc5ccccc5)cccc4c3OC21 MOL29315
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c(C#N)c2N)cc1 MOL29316
-CCOC=Nc1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccc(C)cc1 MOL29317
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(=N)n(N)cnc32)cc1 MOL29318
-CC1=NN2C=Nc3c(c(-c4ccc(Cl)cc4)cn3-c3ccc(C)cc3)C2N1 MOL29319
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4cccs4)NC32)cc1 MOL29320
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2N=CN2N=C(c4ccco4)NC32)cc1 MOL29321
-CCCCCCCCCCN(CCCCCCCCCC)C(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C2 MOL29322
-COCCN(CCOC)C(=O)COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)Cc1cc(C(C)(C)C)cc(c1OCC(=O)N(CCOC)CCOC)C2 MOL29323
-[O+]#C[Mo+]1234(C#[O+])(C#[O+])([Mo+]5678(C#[O+])(C#[O+])(C#[O+])C9=C5[C-]6C7=C98)C5=C1[C-]2C3=C54 MOL29324
-S=C1Nc2ccccc2SC1c1ccccc1 MOL29325
-CN1C(=S)C(c2ccccc2)Sc2ccccc21 MOL29326
-O=C1CC(c2ccccc2)S(=O)c2ccccc2N1 MOL29327
-O=S1(=O)c2ccccc2NC(=S)CC1c1ccccc1 MOL29328
-S=C1CC(c2ccccc2)Sc2ccc(Cl)cc2N1 MOL29329
-S=C1CC(c2ccccc2)Sc2cc(Cl)ccc2N1 MOL29330
-S=C1CC(c2ccc(Cl)cc2)Sc2ccccc2N1 MOL29331
-S=C1CC(c2ccccc2)Sc2ccccc2N1 MOL29332
-S=C1C=C(c2ccccc2)Sc2ccccc2N1 MOL29333
-S=C1CSc2c(ccc3ccccc23)N1 MOL29334
-S=C1CSc2c(cnc3ccccc23)N1 MOL29335
-S=C1Nc2cnc3ccccc3c2SC1c1ccccc1 MOL29336
-S=C1CCSc2c(ccc3ccccc23)N1 MOL29337
-O=C1CC(c2ccccc2)S(=O)(=O)c2ccccc2N1 MOL29338
-CC1=CC(=O)C(=C(C)C)CC1 MOL29339
-COc1ccc(C2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OC MOL29340
-O=[N+]([O-])C1=Cc2cc(Cl)ccc2OC1c1cccc2ccccc12 MOL29341
-COc1cccc2c1OC(c1cccc3ccccc13)C([N+](=O)[O-])=C2 MOL29342
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1Oc1ccccc1 MOL29343
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCc1ccccc1 MOL29344
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCCc1ccccc1 MOL29345
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCCCc1ccccc1 MOL29346
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCC=CCc1ccccc1 MOL29347
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1OCC1CCCCC1 MOL29348
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCc1ccccc1 MOL29349
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCCc1ccccc1 MOL29350
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1N=NNCCCc1ccccc1 MOL29351
-CCCCNN=Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O MOL29352
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1Oc1ccccc1 MOL29353
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCCc1ccccc1 MOL29354
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1OCCCc1ccccc1 MOL29355
-O=C1NC(=O)C2C(OCC3OC2C(O)C3O)C1OCC1CCCCC1 MOL29356
-[N-]=[N+]=C1C(=O)NC(=O)N2C1OCC1OC2C(O)C1O MOL29357
-CCOC(=O)c1ccc(N=C2Sc3nc4ccccc4n3C2=Nc2ccc(C(=O)OCC)cc2)cc1 MOL29358
-CN(C)c1ccc(NC2=NC(=Nc3ccccc3)C(=Nc3ccccc3)S2)cc1 MOL29359
-Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OCC4COC(C)(C)O4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 MOL29360
-COC(=O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(OC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(=O)OC MOL29361
-CC1(C)CCOC(=O)C(Cl)CC1Cl MOL29362
-CSC(SC)=C(C(=O)O)P(=O)(O)O MOL29363
-CC1=C(C#N)C2C(=C(C)N1)C(=N)Nc1ccccc12 MOL29364
-CC(=O)c1cc2ccccc2[n+]([O-])c1N MOL29365
-CN(C)N1C(=O)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O MOL29366
-O=C1CCCSC(=O)N1Cc1ccccc1 MOL29367
-CC(C)CNC(=O)c1c(NC(=O)c2ccccc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 MOL29368
-CCOC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1 MOL29369
-CC(C)n1c(=O)c2nn3c(=O)n(C(C)C)c(=O)c3nn2c1=O MOL29370
-O=C1CSC(=O)C1=CNNc1nc2ccccc2o1 MOL29371
-CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C=CC(=O)OC(C)(C)C)CO MOL29372
-O=C1CC(=Cc2ccccc2)C(=O)c2ccccc2N1 MOL29373
-O=C1c2ccccc2NC(=O)C2C1C(c1ccccc1)CC2(O)c1ccccc1 MOL29374
-O=C(Cc1ccccc1)NC1COC(=O)C2CCCN2C(=O)C2CCCN2C1=O MOL29375
-O=C(Cc1ccccc1)NC1COC(=O)C2CCCN2C(=O)C2CCCN2C1=O MOL29376
-CC1OC2(O)C3CCCN3C(=O)N(Cc3ccccc3)N2C1=O MOL29377
-O=C1NN(Cc2ccccc2)C(=O)N2CCCC12 MOL29378
-CC1NC(=O)C2CCCN2C(=O)C(C(C)C)OC1=O MOL29379
-O=C(O)C1CCS(=O)(=O)N1 MOL29380
-Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O MOL29381
-Cc1cc(-c2cccc3ccccc23)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O MOL29382
-CC(=O)OCC1OC(n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29383
-COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CCCC3)cc1 MOL29384
-CC(=O)OCC1OC(n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29385
-CC(=O)OCC1OC(n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29386
-COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CCCC3)cc1 MOL29387
-N#Cc1c(-c2ccco2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2 MOL29388
-CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C MOL29389
-CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C MOL29390
-CCOC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C MOL29391
-CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL29392
-CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL29393
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29394
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29395
-CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C MOL29396
-CC(=O)OCC1OC(n2c(C)c(C)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29397
-CCc1c(C)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1C MOL29398
-CCc1c(C)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL29399
-Cc1c(C)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL29400
-CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29401
-CC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL29402
-CC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29403
-CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL29404
-CC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29405
-COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL29406
-CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL29407
-CC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL29408
-CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29409
-CC(=O)c1c(-c2cccc3ccccc23)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29410
-CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29411
-COc1ccc(-c2c(C(C)=O)c(C)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL29412
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29413
-COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL29414
-COc1ccc(-c2c(C(C)=O)c(C)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL29415
-CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29416
-CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29417
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29418
-CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29419
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29420
-Nc1ccc(C=Cc2ccc(NCc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL29421
-O=C(O)c1cc(O)c(Br)c(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)cc(O)c(Br)c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL29422
-COc1cc(C)cc2c(-c3ccc(O)c4c(OC)cc(C)cc34)ccc(O)c12 MOL29423
-CC1Cc2c(-c3ccc(O)c4ccccc34)c(O)cc(O)c2C(C)N1 MOL29424
-Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCN3CCCCC3)c12 MOL29425
-Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCC[N+]3([O-])CCCCC3)c12 MOL29426
-OCC1OC(NC(=S)NCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O MOL29427
-OCC1OC(NC(=S)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O MOL29428
-CCOC(=O)C=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F MOL29429
-O=C(NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC1OC(CO)C(O)C(O)C1O MOL29430
-COC1OC(COC(=O)NCCCCC(=O)C(F)(F)F)C(O)C(O)C1O MOL29431
-COC1OC(COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O MOL29432
-COC1OC(COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1O MOL29433
-O=CC(O)C(O)C(O)C(O)COC(=O)NCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MOL29434
-CCOC(=O)C=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MOL29435
-O=C(C=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 MOL29436
-CC1CCC(O)C=CC(=O)OC(C)C(O)C=CC(=O)O1 MOL29437
-CCCCCCCCCCCCCCCCCCSCC12c3ccccc3C(c3ccccc31)C(COS(=O)(=O)O)C2COS(=O)(=O)O.[NaH] MOL29438
-O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1I MOL29439
-O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(I)cc1 MOL29440
-O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(I)c1 MOL29441
-CC12CCC3C(CCC4CC(=CC#N)CCC43C)C1CCC2=CC#N MOL29442
-CC(C)CCCC(C)C1CCC2C3CC(=CC#N)C4CCCCC4(C)C3CCC12C MOL29443
-COC1=CC2=CCC3C(CCC4(C)C(C(C)=O)CCC34)C2(C)CC1 MOL29444
-COC(=O)c1cc(C(=CCCC(C)C2CCC3C4CCC5CCCCC5(C)C4CCC23C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL29445
-COC(=O)c1cc(C(=CCCC(C)C2CCC3C4CCC5CC(F)(F)CCC5(C)C4CCC23C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL29446
-CCCCCC=C(c1cc(Br)c(OC)c(C(=O)O)c1)c1cc(Br)c(OC)c(C(=O)O)c1 MOL29447
-COC(=O)c1cc(C(=O)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC MOL29448
-COC(=O)c1cc(Cc2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC MOL29449
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCP(=O)(c5ccccc5)c5ccccc5)CCC4(C)C3CCC12C MOL29450
-CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)NO)c1)c1cc(Cl)c(OC)c(C(=O)NO)c1 MOL29451
-CNC(=S)NNc1ncnc2c1ncn2-c1ccc(C)cc1 MOL29452
-Cc1ccc(-n2cnc3c(NN=C4SCC(=O)N4c4ccccc4)ncnc32)cc1 MOL29453
-CNC(=S)NNc1ncnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(C)cc1 MOL29454
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NNC(=S)NCc4ccccc4)ncnc32)cc1 MOL29455
-Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(NN=C4SCC(=O)N4C)ncnc32)cc1 MOL29456
-CN(C)c1cc[n+](-c2nc([N-]C(=O)C(F)(F)F)nc3c2ncn3C2CC(O)C(CO)O2)cc1 MOL29457
-O=[N+]([O-])c1cccc2c(O)nc3nccnc3c12 MOL29458
-Cc1ccc(C(=O)C2C=C(c3ccc(C)cc3)SC3C=CCC32)cc1 MOL29459
-c1ccc(-c2sc(-c3ccccc3)c3c2C2CCC3C2)cc1 MOL29460
-Cc1ccc(-c2sc(-c3ccc(C)cc3)c3c2C2CCC3C2)cc1 MOL29461
-CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL29462
-CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL29463
-CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29464
-COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CCC3)cc1 MOL29465
-CC(=O)OCC1OC(n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29466
-CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL29467
-COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CCC3)cc1 MOL29468
-N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCC2 MOL29469
-CC(=O)OCC1OC(n2c(C)c(N=Nc3ccccc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29470
-CC(=O)OCC1OC(n2c(C)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29471
-COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2C)cc1 MOL29472
-CC(=O)OCC1OC(n2c(C)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29473
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccccc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29474
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(C)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29475
-COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c2-c2ccccc2)cc1 MOL29476
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29477
-CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29478
-Cc1c(N=Nc2ccccc2)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL29479
-Cc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C)cc1 MOL29480
-COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C)cc1 MOL29481
-Cc1c(N=Nc2ccc(Cl)cc2)c(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL29482
-Cc1c(N=Nc2ccccc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL29483
-Cc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2-c2ccccc2)cc1 MOL29484
-COc1ccc(N=Nc2c(C)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2-c2ccccc2)cc1 MOL29485
-Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL29486
-CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3ccco3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29487
-CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3cccs3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL29488
-COc1ccc(C2C(C#N)=C(S)N(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(C)=C2C(C)=O)cc1 MOL29489
-CCOc1ccc(NC(=O)C=Cc2ccco2)cc1 MOL29490
-COc1c(Br)c(=O)n(C)c(=O)n1C MOL29491
-Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O MOL29492
-CN1C(=O)N(C)C(O)C(Cl)(Br)C1=O MOL29493
-NC1CC2NC3CCCCC3NC2CC1N MOL29494
-Cc1ccc(S(=O)(=O)Oc2nc3ccccc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1 MOL29495
-Cc1ccc(S(=O)(=O)Oc2nc3ccccc3nc2N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 MOL29496
-Oc1ncc(CCl)c(O)n1 MOL29497
-O=C(O)c1nc(O)nc(O)c1C(=O)O MOL29498
-Oc1nc2cc3nc(O)c(O)nc3cc2nc1O MOL29499
-O=c1c2ccccc2c2cc3ccc4c(=O)c5ccccc5c5cc6ccc1c2c6c3c45 MOL29500
-CC(=O)OC1NC(=O)NC(=O)C1(Br)Br MOL29501
-CCNc1nc2ccccc2nc1NCC MOL29502
-CCN1c2nc3ccccc3nc2N(CC)c2nc3ccccc3nc21 MOL29503
-Cc1nc(O)nc(O)c1C(=O)O MOL29504
-Nc1nc2cc3nc(N)c(N)nc3cc2nc1N MOL29505
-Cl.NC1CCC(C(=O)C2CCC(O)CC2O)CC1 MOL29506
-Cc1ccc(S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1 MOL29507
-N#Cc1cnc(O)nc1O MOL29508
-CC1(O)CC(=O)c2c(cc3ccc(-c4c5c(c(O)c6c(O)cccc46)C(=O)CC(C)(O)C5)c(O)c3c2O)C1 MOL29509
-CC1(O)CC(=O)c2c(cc3ccc(-c4c5c(c(O)c6c(O)cccc46)C(=O)CC(C)(O)C5)c(O)c3c2O)C1 MOL29510
-Nc1cc2nc(O)c(O)nc2cc1N MOL29511
-Clc1nc2nc3ccccc3nc2nc1Cl MOL29512
-CN1CC(Br)(Br)C(=O)N(C)C1=O MOL29513
-O=Cc1nc(O)nc(O)c1CCl MOL29514
-CN1C(=O)N(C)C(O)C(Cl)(Cl)C1=O MOL29515
-Oc1nc2nc3ccccc3nc2nc1O.[KH] MOL29516
-O=Cc1nc(O)nc(O)c1C(=O)O MOL29517
-OC1NC2CC3NC(O)C(O)NC3CC2NC1O MOL29518
-CC1(Cl)C(=O)NC(=O)NC1O MOL29519
-Cc1nc(S)nc(O)c1CCl MOL29520
-[N-]=[N+]=C1CNC(=O)NC1=O MOL29521
-C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O MOL29522
-COC1C(C(=NO)n2cnc3c(Cl)ncnc32)OC2OC(C)(C)OC21 MOL29523
-Cc1cn(C2CC([N+](=O)[CH-]c3ccccc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL29524
-CCOC(=O)N1CC2OC(n3cc(C)c(=O)[nH]c3=O)CC2O1 MOL29525
-CON=C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL29526
-CONC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL29527
-Cc1cn(C2CC(CO)N(CCO)O2)c(=O)[nH]c1=O MOL29528
-Cc1cn(C2CC3ONCC3O2)c(=O)[nH]c1=O MOL29529
-CN(O)C1CC(=O)OC1CO[Si](C)(C)C(C)(C)C MOL29530
-CC(=O)ON(C)C1CC(=O)OC1CO[Si](C)(C)C(C)(C)C MOL29531
-CC(=O)OCC1CC(n2cc(C)c(=O)[nH]c2=O)=NO1 MOL29532
-O=C1[OH+][B-](c2ccccc2)(c2ccccc2)N2CCCC12 MOL29533
-c1ccc([B-]2(c3ccccc3)[OH+]CCc3cccc[n+]32)cc1 MOL29534
-CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)[N+]1(C)C MOL29535
-CC(NC1=CC(=O)C(NC(C)C(O)c2ccccc2)=CC1=O)C(O)c1ccccc1 MOL29536
-c1ccc([B-]2(c3ccccc3)NCCC[OH+]2)cc1 MOL29537
-CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)N1C MOL29538
-CC1C(c2ccccc2)[OH+][B-](c2ccccc2)(c2ccccc2)[N+]1(C)C MOL29539
-CCCN(CCC)C(=S)NN=Cc1ccccn1 MOL29540
-S=C(NN=Cc1ccccn1)N1CCCCC1 MOL29541
-S=C(NN=Cc1ccccn1)N1CCCCCC1 MOL29542
-CNC(=S)NN=Cc1cccc(C)n1 MOL29543
-CCCN(CCC)C(=S)NN=Cc1cccc(C)n1 MOL29544
-Cc1cccc(C=NNC(=S)N2CCCCC2)n1 MOL29545
-Cc1cccc(C=NNC(=S)N2CCCCCC2)n1 MOL29546
-CC(=NNC(=S)NCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1 MOL29547
-CC(=NNC(=S)NCCCNC(=S)NN=C(C)c1ccccn1)c1ccccn1 MOL29548
-CC(=NNC(=S)NCCCCNC(=S)NN=C(C)c1ccccn1)c1ccccc1 MOL29549
-CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)c1ccccn1)c1ccccn1 MOL29550
-CSC(=S)Nc1cc(C)ccn1 MOL29551
-CSC(=S)Nc1cccc(C)n1 MOL29552
-CSC(=S)Nc1cc(C)cc(C)n1 MOL29553
-Cc1cccc(C=NNC(=S)Nc2ccccc2)n1 MOL29554
-S=C(NN=Cc1ccccn1)N1CC2CCC(CC2)C1 MOL29555
-CC(=NNC(=S)N(C)C)c1ccccc1O MOL29556
-CC1=[N+]2[N-]C(N(C)C)=[S+][Cu-3]23[O+](c2ccccc21)[Cu-3]12[S+]=C(N(C)C)[N-][N+]1=C(C)c1ccccc1[O+]32 MOL29557
-COc1cccc(C2c3cc4c(cc3OC(O)C2C)OCO4)c1OC MOL29558
-COc1ccc(NC2Oc3cc4c(cc3C(c3cccc(OC)c3OC)C2C)OCO4)cc1 MOL29559
-CC1C(O)Oc2cc3c(cc2C1c1ccccc1O)OCO3 MOL29560
-COc1cccc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)c1OC MOL29561
-COc1cccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)c1OC MOL29562
-COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1OC MOL29563
-COc1cccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)c1OC MOL29564
-CCN(CC)C1Oc2cc3c(cc2C(c2cccc(OC)c2OC)C1C)OCO3 MOL29565
-COc1ccc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc1 MOL29566
-COc1ccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc1 MOL29567
-CCN(CC)C1Oc2cc3c(cc2C(c2ccc(OC)cc2)C1C)OCO3 MOL29568
-COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1OC MOL29569
-COc1ccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc1 MOL29570
-COc1ccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc1 MOL29571
-CC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCCC1)OCO3 MOL29572
-CC1C(NNc2ccccc2)Oc2cc3c(cc2C1c1ccccc1O)OCO3 MOL29573
-Cc1ccc(S(=O)(=O)NNC2Oc3cc4c(cc3C(c3ccccc3O)C2C)OCO4)cc1 MOL29574
-CC1C(NNC(N)=O)Oc2cc3c(cc2C1c1ccccc1O)OCO3 MOL29575
-COc1cccc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)c1OC MOL29576
-COc1ccc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc1 MOL29577
-COc1cc(C2c3cc4c(cc3OC(NN)C2C)OCO4)cc(OC)c1OC MOL29578
-CC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCOCC1)OCO3 MOL29579
-CCC1C(c2ccccc2O)c2cc3c(cc2OC1N1CCOCC1)OCO3 MOL29580
-Oc1ccccc1C(c1cc2c(cc1O)OCO2)N1CCOCC1 MOL29581
-COc1cccc(C(NC2=NCCC=N2)c2cc3c(cc2O)OCO3)c1O MOL29582
-COc1cccc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)c1O MOL29583
-COc1cc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc(OC)c1OC MOL29584
-COc1cc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc(OC)c1OC MOL29585
-COc1cccc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)c1O MOL29586
-COc1cc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc(OC)c1OC MOL29587
-CCN(CC)C1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3 MOL29588
-COc1cccc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)c1O MOL29589
-COc1cc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc(OC)c1OC MOL29590
-COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(OC)c(OC)c3)C2C)OCO4)cc1 MOL29591
-COc1cc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc(OC)c1OC MOL29592
-COc1cccc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)c1O MOL29593
-COc1cccc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)c1O MOL29594
-CCN(CC)C1Oc2cc3c(cc2C(c2cccc(OC)c2O)C1C)OCO3 MOL29595
-Cn1c(N)c(C(N)=O)[nH]c1=S MOL29596
-CNc1nc(C(N)=O)c(N)s1 MOL29597
-CSC1=NC(C(N)=O)C(N)N1C MOL29598
-CSc1nc(C#N)c(N=CN(C)C)n1C MOL29599
-CSc1nc(C#N)c(N)n1C MOL29600
-CSc1nc2c(N)ncnc2n1C MOL29601
-O=[N+]([O-])c1ccccc1S(=O)(=O)c1cc(O)cc2c1NCCC2 MOL29602
-Cc1cc2c(c(S(=O)(=O)c3ccccc3[N+](=O)[O-])c1)NCCC2 MOL29603
-Cc1cc2c(c(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c1)NCCC2 MOL29604
-CNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL29605
-CNc1ccc(C)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL29606
-CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL29607
-CNc1ccc(OC)cc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL29608
-Oc1ccc(Cl)cc1CN1CCN(Cc2cc(Cl)ccc2O)C1 MOL29609
-O=S(=O)(O)Oc1cc2c(c(OS(=O)(=O)O)c1)CC(OS(=O)(=O)O)C(c1ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c1)O2.[KH] MOL29610
-O=C(O)c1cc(O)cc(O)c1CNc1ccc(C=Cc2ccc(NCc3c(O)cc(O)cc3C(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL29611
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 MOL29612
-CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL29613
-CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(=O)O MOL29614
-CC(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)C MOL29615
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)O MOL29616
-CC(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)C(C)C MOL29617
-CC(=O)NC(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)C MOL29618
-CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OCc1ccccc1 MOL29619
-CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C MOL29620
-CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NCC(=O)O)C(C)C MOL29621
-CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1 MOL29622
-CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(NC(C)=O)C(C)C)C(C)C MOL29623
-CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NCC(=O)OCc1ccccc1)C(C)C MOL29624
-CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 MOL29625
-CCCOC(C)OCCC#CCC(C)OC(=O)CC(Cl)(Cl)Cl MOL29626
-CC(CCC#CC(=O)O)OC1CCCCO1 MOL29627
-CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O MOL29628
-COC(=O)C(Cc1ccccc1)C(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C MOL29629
-CC(C)(C)OC(=O)CC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C MOL29630
-COC(=O)CNC(=O)C(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL29631
-COC(=O)C(Cc1ccccc1)NC(=O)C(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL29632
-O=C(NCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1 MOL29633
-O=C1c2ccccc2C(=O)N1CC(CN1C(=O)c2ccccc2C1=O)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL29634
-CC(C)(C)OC(=O)NCCNC(=O)OCc1ccccc1 MOL29635
-COC(=O)C(Cc1ccccc1)C(=O)NC(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL29636
-COC(=O)c1ccc(COC(=O)N2C=CCC2C(=O)O)cc1 MOL29637
-O=C(NC1CCC(=O)N1C(=O)OCc1ccccc1)OCc1ccccc1 MOL29638
-CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NCC(=O)O MOL29639
-CCOC(=O)CNC(=O)C(C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C MOL29640
-CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NCC(=O)ON1C(=O)CCC1=O MOL29641
-CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)ON1C(=O)CCC1=O MOL29642
-CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)O MOL29643
-CC(NC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C)C(=O)O MOL29644
-CCC(C)(NC(=O)C(C)NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(C)(CC)C(=O)ON=C1CCCC1 MOL29645
-CC(NC(=O)C(OC(=O)C(C)NC(=O)OC(C)(C)C)C(C)C)C(=O)OC(C(=O)O)C(C)C MOL29646
-O=C(O)C1Cc2ccccc2OC1=O MOL29647
-O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2OC1=O)OCc1ccccc1 MOL29648
-CC(C)(C)OC(=O)NNC(=O)C1Cc2ccccc2OC1=O MOL29649
-O=C(O)CC(NC(=O)C(F)(F)F)C(=O)NC1Cc2ccccc2OC1=O MOL29650
-O=C(CC(NC(=O)OCc1ccccc1)C(=O)NC1Cc2ccccc2C1=O)OCc1ccccc1 MOL29651
-CC(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1 MOL29652
-CC(=O)NC1Cc2ccccc2C1=O MOL29653
-Cl.NC1Cc2ccccc2OC1=O MOL29654
-CC(C)(C)OC(=O)NC(Cc1ccccc1)OCc1ccccc1 MOL29655
-CC(C)(C)OC(=O)NC(Cc1ccccc1)NC(=O)NC(=O)OCc1ccccc1 MOL29656
-COC(=O)C(Cc1ccccc1)OC(=O)C(N)CC(=O)O MOL29657
-CCOC(=O)C(NC(=O)NC(C(=O)OCC)C(=O)OCC)C(=O)OCC MOL29658
-COC(=O)C(Cc1ccccc1)NC(=O)C(CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL29659
-CC(=O)OC(C(=O)NNC(=O)OC(C)(C)C)c1ccccc1 MOL29660
-O=C(O)CC(NC(=O)C(F)(F)F)C(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL29661
-COC(C(=O)NN)c1ccccc1.Cl MOL29662
-CC(Oc1ccccc1)C(=O)NNC(=O)OC(C)(C)C MOL29663
-CC(=O)NC(Cc1ccccc1)NC(=O)O MOL29664
-CC(Oc1ccccc1)C(=O)NN MOL29665
-O=C(C=CNC(=O)OCc1ccccc1)OCc1ccccc1 MOL29666
-COC(=O)NC(Cc1ccccc1)NC(C)=O MOL29667
-COC(Cc1ccccc1)NC(C)=O MOL29668
-COc1ccc(N(C)C(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 MOL29669
-CCCCOC(=O)C(O)Cc1ccoc1 MOL29670
-CCOC(=O)c1cc2c(nc1NCc1ccccc1)C(=O)CCCC2 MOL29671
-CCOC(=O)c1cc2c(nc1N)C(=Cc1ccccc1)CCCC2 MOL29672
-CCOC(=O)c1c2c(nc3c1CCCC3=Cc1ccccc1)C(=Cc1ccccc1)CCC2 MOL29673
-CCOC(=O)c1cc2c(nc1NCc1ccc(OC)c(OC)c1)C(=Cc1ccccc1)CCCC2 MOL29674
-c1cnc2c(c1)CCc1cc3cccnc3nc1-2 MOL29675
-CCOC(=O)c1c2c(nc3c1CCCC3)CCCC2 MOL29676
-CCOC(=O)c1cc2c(nc1N)C(=O)CCCC2 MOL29677
-CCOC(=O)c1cc2c(nc1N)C(=O)CCC2 MOL29678
-O=C1CC2(CC(O)CO)CC(O1)C(I)CC21OCCO1 MOL29679
-O=CCC12CC(=O)OC(C1)C(I)CC21OCCO1 MOL29680
-O=CCC12CC(=O)OC(C=CC13OCCO3)C2 MOL29681
-C=CCC12CC(=O)OC(C=CC13OCCO3)C2 MOL29682
-C=CCC12CC(C=CC13OCCO3)OC(=O)C2C MOL29683
-C=CCC12CC(C=CC13OCCO3)OC(O)C2C MOL29684
-C=CCC12CC(OC)C(OC)CC1(OC)OC(c1cc(OC)c(OC)c(OC)c1)C2C MOL29685
-C=CC1C2CCC3=CC(=O)CCC3C2CCC1(C)C(=O)O MOL29686
-C=CCC1(CC(=O)O)CC=CCC12OCCO2 MOL29687
-Cn1ccnc1CCc1ccc(F)cc1F MOL29688
-CC(C)=CCN1CCCn2c(=S)[nH]c3cccc(c32)C1 MOL29689
-COc1ccc(C2Oc3ccc(Cl)cc3C=C2[N+](=O)[O-])cc1OC MOL29690
-C=C1CC(CN2CCC(=O)NC2=O)(c2ccccc2)OC1=O MOL29691
-C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O MOL29692
-C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(OC)cc2)OC1=O MOL29693
-C=C1CC(Cn2ccc(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O MOL29694
-C=C1CC(Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(Cl)cc2)OC1=O MOL29695
-C=C1CC(Cn2cc(C)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O MOL29696
-C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(Br)cc2)OC1=O MOL29697
-C=C1CC(Cn2cc(Br)c(=O)[nH]c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O MOL29698
-C=C1CC(C)(COc2ccc3ccc(=O)oc3c2)OC1=O MOL29699
-C=C1CC(C)(COc2ccc3c(C)cc(=O)oc3c2)OC1=O MOL29700
-C=C1CC(C)(COc2ccc3c(C)c(Cl)c(=O)oc3c2)OC1=O MOL29701
-C=C1CC(C)(COc2ccc3c(C)c(C)c(=O)oc3c2C)OC1=O MOL29702
-C=C1CC(COc2ccc3ccc(=O)oc3c2)(c2ccccc2)OC1=O MOL29703
-C=C1CC(COc2ccc3c(C)cc(=O)oc3c2)(c2ccccc2)OC1=O MOL29704
-C=C1CC(COc2ccc3c(C)c(Cl)c(=O)oc3c2)(c2ccccc2)OC1=O MOL29705
-C=C1CC(COc2ccc3c(C)c(C)c(=O)oc3c2C)(c2ccccc2)OC1=O MOL29706
-C=C1CC(C)(COc2cc(=O)oc3ccccc23)OC1=O MOL29707
-C=C1CC(COc2cc(=O)oc3ccccc23)(c2ccccc2)OC1=O MOL29708
-CC(C)OCC(O)COc1ccc2ccc(=O)oc2c1 MOL29709
-Cc1cc(=O)oc2cc(OCC(O)COC(C)C)ccc12 MOL29710
-Cc1c(Cl)c(=O)oc2cc(OCC(O)COC(C)C)ccc12 MOL29711
-Cc1c(C)c2ccc(OCC(O)COC(C)C)c(C)c2oc1=O MOL29712
-CC(C)OCC(O)COc1cc(=O)oc2ccccc12 MOL29713
-C=C1CC(c2ccc(OCCCN3C(=O)c4ccccc4C3=O)cc2)OC1=O MOL29714
-C=C1CC(c2ccc(OCCCN3C(=O)c4ccccc4C3=O)c(OC)c2)OC1=O MOL29715
-O=c1[nH]c(=O)n(COCCO)cc1-c1ccccc1 MOL29716
-O=c1[nH]c(=O)n(COC(CO)CO)cc1-c1ccccc1 MOL29717
-COc1ccc(CCc2nccn2C)cc1OC MOL29718
-Cl.NC(CSSC(C(=O)O)C(SSCC(N)C(=O)O)C(=O)O)C(=O)O MOL29719
-Nc1ncnc2c1[nH]c(=O)n2-c1ccccc1 MOL29720
-O=[N+]([O-])c1c(Br)cc(Br)c2c1Nc1c(ccc(Cl)c1Cl)S2 MOL29721
-CCCN(CCC)C(=S)NN=C(C)c1ccccc1O MOL29722
-CC(=NNC(=S)N1CCCCC1)c1ccccc1O MOL29723
-CC(=NNC(=S)N1CCCCCC1)c1ccccc1O MOL29724
-COc1ccccc1NC(=S)NN=C(C)c1ccccn1 MOL29725
-COc1ccccc1NC(=S)NN=Cc1ccccn1 MOL29726
-CCN(CC)C(=S)NN=C(c1ccccc1)c1ccccn1 MOL29727
-S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCC1 MOL29728
-S=C(NN=C(c1ccccc1)c1ccccn1)N1CCCCCC1 MOL29729
-COc1ccc(NC(=S)NN=C(C)c2ccccn2)cc1 MOL29730
-COc1ccc(NC(=S)NN=Cc2ccccn2)cc1 MOL29731
-CCNC(=S)NN=C(c1ccccc1)c1ccccn1 MOL29732
-S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccccc1 MOL29733
-S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccccc1Cl MOL29734
-S=C(NN=C(c1ccccc1)c1ccccn1)Nc1cccc(Cl)c1 MOL29735
-S=C(NN=C(c1ccccc1)c1ccccn1)Nc1ccc(Cl)cc1 MOL29736
-Cc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1 MOL29737
-Cc1cccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)c1 MOL29738
-Cc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1 MOL29739
-COc1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1 MOL29740
-O=[N+]([O-])c1ccc(NC(=S)NN=C(c2ccccc2)c2ccccn2)cc1 MOL29741
-COc1ccccc1NC(=S)NN=C(c1ccccc1)c1ccccn1 MOL29742
-CC(=NNC(=S)Nc1ccccc1C)c1ccccn1 MOL29743
-CC(=NNC(=S)Nc1ccccc1Cl)c1ccccn1 MOL29744
-CC(=NNC(=S)Nc1ccc(C)cc1)c1ccccn1 MOL29745
-CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1 MOL29746
-CC(=NNC(=S)Nc1cccc(C)c1)c1ccccn1 MOL29747
-CCNC(=S)NN=C(C)c1cccc(C(C)=NNC(=S)NCC)n1 MOL29748
-CC(=NNC(=S)N1CCCC1)c1cccc(C(C)=NNC(=S)N2CCCC2)n1 MOL29749
-CC(=NNC(=S)N1CCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCC2)n1 MOL29750
-CC(=NNC(=S)N1CCCCCC1)c1cccc(C(C)=NNC(=S)N2CCCCCC2)n1 MOL29751
-CCN(CC)C(=S)NN=C(C)c1cccc(C(C)=NNC(=S)N(CC)CC)n1 MOL29752
-Cl.N=c1c2ccccc2nc2oc3ccccc3n12 MOL29753
-COC(=O)C=C(C=C1C(C#N)=C(N)N(c2ccc(Cl)cc2)C1(C)C(=CC(=O)OC)C(=O)OC)C(=O)OC MOL29754
-CC(=O)c1sc(=N)n(-c2c(C)cccc2C)c1C MOL29755
-O=C1NC2(CCCCC2)N=C2C(Cl)CCCC12Cl MOL29756
-CC1=NC2(CCCCC2)N(Cl)C(=O)C1SC#N MOL29757
-O=C1NN=C(c2ccc(Cl)cc2)CC1C1C(=O)N(c2ccccc2)N=C1c1ccccc1 MOL29758
-COc1ccc(Cc2c(-c3ccc(C)cc3)nnc(O)c2C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 MOL29759
-CSC(=O)c1sc(SC)[n+](-c2ccccc2)c1O MOL29760
-CC(C)=NOC(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O MOL29761
-COC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)OC MOL29762
-O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1(C(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 MOL29763
-O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 MOL29764
-COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(CN2CCOCC2)c1O.Cl MOL29765
-CC=C1CNC1C(=O)O MOL29766
-CC(C)(C)OC(=O)C1C(=CCO)CN1C(=O)OC(C)(C)C MOL29767
-CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C MOL29768
-CC=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C MOL29769
-CCSC(=O)C=C1CN(C(=O)OC(C)(C)C)C1C(=O)OC(C)(C)C MOL29770
-O=CC(=C(I)I)c1ccccc1 MOL29771
-O=C(C(=C(I)I)c1ccccc1)c1ccccc1 MOL29772
-CC(C)=CCN1CCCn2c(=S)[nH]c3cccc(c32)C1=O MOL29773
-CCCNC(=O)Cn1c2c(c3ccccc31)CCCC2 MOL29774
-CC(C)CNC(=O)Cn1c2c(c3ccccc31)CCCC2 MOL29775
-CCN(CC)C(=O)Cn1c2c(c3ccccc31)CCCC2 MOL29776
-O=C(Cn1c2c(c3ccccc31)CCCC2)NC1CCCCC1 MOL29777
-O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCC1 MOL29778
-O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCCCC1 MOL29779
-O=C(Cn1c2c(c3ccccc31)CCCC2)N1CCOCC1 MOL29780
-c1ccc(N=C2c3ccsc3C(=Nc3ccccc3)c3ccsc32)cc1 MOL29781
-O=c1c(-c2c(-c3ccccc3)oc3ccc(Cl)cc3c2=O)c(-c2ccccc2)oc2ccc(Cl)cc12 MOL29782
-O=c1cc(-c2ccccc2)oc2ccc(-c3ccc4oc(-c5ccccc5)cc(=O)c4c3)cc12 MOL29783
-O=c1cc(-c2ccccc2)oc2c(-c3cc(Cl)cc4c(=O)cc(-c5ccccc5)oc34)cc(Cl)cc12 MOL29784
-Cc1ccc(O)c(-c2cscn2)c1 MOL29785
-Cc1cc(Br)c(O)c(-c2cscn2)c1 MOL29786
-Cc1cc(-c2cscn2)c(O)c([N+](=O)[O-])c1 MOL29787
-O=C(C=Cc1ccccc1)c1cc(C(=O)C=Cc2ccccc2)c(O)cc1O MOL29788
-CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1.Cl MOL29789
-CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1 MOL29790
-CC(C)(N=NC(C)(C)C(=O)NCCO)C(=O)NCCO MOL29791
-CC(C)(N=NC(C)(C)C(=N)N)C(=N)N.Cl MOL29792
-COC(=O)C=C(C(=O)OC)c1c(C)c(C)c2c(C)cc(C)cc(C)c1-2 MOL29793
-COC(=O)C=C(C(=O)OC)c1c(C)c(C)c2c(C)cc(C)cc(C)c1-2 MOL29794
-COC(=O)C=C(C(=O)OC)c1cc(C)c2cc(C(C)C)ccc(C)c1-2 MOL29795
-CC(OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL29796
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C MOL29797
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C MOL29798
-CCOC(=O)CCC(NC(=O)C(CCC(=O)OCC)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(C)=O)C(=O)NNC(=O)OC(C)(C)C MOL29799
-CCOC(=O)CCC(NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29800
-CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)NCCCO MOL29801
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NNC(=O)OC(C)(C)C MOL29802
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL29803
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL29804
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL29805
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL29806
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL29807
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C MOL29808
-O=C(CNC(=O)OCc1ccccc1)NCCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL29809
-NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)O MOL29810
-NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O MOL29811
-CC(C)(C)OC(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)CNC(=O)OCc1ccccc1)C(=O)O MOL29812
-CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OCC)C(=O)OCC MOL29813
-CCOC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1 MOL29814
-CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OCC)C(=O)OCC MOL29815
-CCOC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29816
-CCOC(=O)CC(NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)OCC MOL29817
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29818
-O=C(CNC(=O)OCc1ccccc1)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O MOL29819
-CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(N)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)O MOL29820
-CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O MOL29821
-COC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)C(CCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL29822
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29823
-CCOC(=O)CCC(NC(=O)CNC(=O)CNC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29824
-Cl.NNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1 MOL29825
-COC(=O)NC(Cc1ccccc1)NC(=O)OC(C)(C)C MOL29826
-COC(=O)NC(=O)NC(Cc1ccccc1)NC(=O)OCc1ccccc1 MOL29827
-CC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C MOL29828
-O=C(CC(NC(=O)C(F)(F)F)C(=O)O)OCc1ccccc1 MOL29829
-COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL29830
-CC(C)(C)OC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(N)=O MOL29831
-COC(=O)C1CCCN1C(=O)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)NC(=O)OC(C)(C)C MOL29832
-COC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C MOL29833
-Cc1ccc(S(=O)(=O)n2cnc(CC(NC(=O)C3CCC(=O)N3C(=O)OCc3ccccc3)C(=O)N3CCCC3C(=O)NN)c2)cc1 MOL29834
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NN.Cl MOL29835
-CCOC(=O)CCC(NC(=O)C(N)c1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC.Cl MOL29836
-F.NC(CC(=O)O)C(=O)NC1Cc2ccccc2C1=O MOL29837
-CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1Br MOL29838
-CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1B(c1ccccc1)c1ccccc1 MOL29839
-CC(=O)N(C(C)=O)n1c(Cc2ccc(Cl)cc2)nn(C(C)=O)c1=O MOL29840
-CN(C)CCNc1c([N+](=O)[O-])sc2ccc(Cl)cc12 MOL29841
-O=[N+]([O-])c1sc2ccc(Cl)cc2c1Nc1ccc(Cl)cc1 MOL29842
-c1ccc2c(c1)ncn2CCn1ccnc1 MOL29843
-CCOC(=O)Nc1ccc2c(c1)c(CCCCCCc1nc3ccccc3c3ccc(NC(=O)OCC)cc13)nc1ccccc12 MOL29844
-CC(=O)N1N(c2ccc([N+](=O)[O-])cc2)C(=O)C1(C)C MOL29845
-CC(=NNC(=S)Nc1ccccc1)c1cccc(C(C)=NNC(=S)Nc2ccccc2)n1 MOL29846
-CC(=NNC(=S)Nc1ccc(Cl)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(Cl)cc2)n1 MOL29847
-CC(=NNC(=S)Nc1cccc(Cl)c1)c1cccc(C(C)=NNC(=S)Nc2cccc(Cl)c2)n1 MOL29848
-CC(=NNC(=S)Nc1ccccc1Cl)c1cccc(C(C)=NNC(=S)Nc2ccccc2Cl)n1 MOL29849
-COc1ccc(NC(=S)NN=C(C)c2cccc(C(C)=NNC(=S)Nc3ccc(OC)cc3)n2)cc1 MOL29850
-CC(=NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(C)=NNC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 MOL29851
-CC(=NNC(=S)Nc1ccc(C)cc1)c1cccc(C(C)=NNC(=S)Nc2ccc(C)cc2)n1 MOL29852
-CC(=NNC(=S)Nc1cccc(C)c1)c1cccc(C(C)=NNC(=S)Nc2cccc(C)c2)n1 MOL29853
-CC(=NNC(=S)Nc1ccccc1C)c1cccc(C(C)=NNC(=S)Nc2ccccc2C)n1 MOL29854
-COc1ccccc1NC(=S)NN=C(C)c1cccc(C(C)=NNC(=S)Nc2ccccc2OC)n1 MOL29855
-CCCNC(=S)NN=C1C(=O)Nc2ccccc21 MOL29856
-CCN(CC)C(=S)NN=C1C(=O)Nc2ccccc21 MOL29857
-O=C1Nc2ccccc2C1=NNC(=S)N1CCCC1 MOL29858
-O=C1Nc2ccccc2C1=NNC(=S)N1CCCCC1 MOL29859
-O=C1Nc2ccccc2C1=NNC(=S)N1CCCCCC1 MOL29860
-O=C1Nc2ccccc2C1=NNC(=S)Nc1ccccc1Cl MOL29861
-O=C1Nc2ccccc2C1=NNC(=S)Nc1cccc(Cl)c1 MOL29862
-O=C1Nc2ccccc2C1=NNC(=S)Nc1ccc(Cl)cc1 MOL29863
-Cc1ccccc1NC(=S)NN=C1C(=O)Nc2ccccc21 MOL29864
-Cc1cccc(NC(=S)NN=C2C(=O)Nc3ccccc32)c1 MOL29865
-Cc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc32)cc1 MOL29866
-COc1ccccc1NC(=S)NN=C1C(=O)Nc2ccccc21 MOL29867
-CC1=CC(=NN(C2=[S+][Cu-3]3([S+]=C(N(N=C4C=C(C)OC(=O)C4=CO)c4ccccc4)[SH+]3)[SH+]2)c2ccccc2)C(=CO)C(=O)O1 MOL29868
-CC(Cl)CN(C)CC(C)Cl.Cl MOL29869
-C[N+]1(CCCl)CCc2ccc([N+](=O)[O-])cc2C1.[Cl-] MOL29870
-Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCc3cccc[n+]3[O-])c12 MOL29871
-C[N+]1(CCCl)CCc2cccc([N+](=O)[O-])c2C1.[Cl-] MOL29872
-C[N+]1(CCCl)CCc2cc([N+](=O)[O-])ccc2C1.[Cl-] MOL29873
-Cl.Cn1nc(NC(=O)c2cc(=N)[nH]n2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH] MOL29874
-Cl.Cn1cc(N)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)n1.[KH] MOL29875
-Cl.Cn1cc(NC(=O)c2cc(=N)[nH]n2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH] MOL29876
-Cn1cc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)c4)n(C)n3)nn2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[NaH] MOL29877
-Cn1nc(NC(=O)c2cc(NC(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)n(C)n4)n(C)n3)nn2C)cc1C(=O)Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.[KH] MOL29878
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)n(C)n3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)n(C)n1.[KH] MOL29879
-CC(CCc1nc2ccccc2[nH]1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C MOL29880
-CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CCC2(C)C(C(C)CCc3nc4ccccc4n3C(C)=O)CCC12 MOL29881
-CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CCC2(C)C(C(C)CCc3nc4ccccc4[nH]3)CCC12 MOL29882
-CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1 MOL29883
-CC(CCc1nc2ccccc2[nH]1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C MOL29884
-CC(CCc1nc2ccccc2[nH]1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL29885
-CC(CCc1nc2ccccc2o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C MOL29886
-CC(=O)OC1CCC2(C)C(C1)CC(OC(C)=O)C1C2CC(OC(C)=O)C2(C)C(C(C)CCc3nc4ccccc4o3)CCC12 MOL29887
-CC(CCc1nc2ccccc2o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL29888
-CC12CC(OC(=O)C1(C)O)C(C1(O)CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC31C)C2 MOL29889
-C#CCN(C(=O)C(F)(F)F)C(C=CC(=O)OC)(C(=O)OCC)C(=O)OCC MOL29890
-CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O MOL29891
-CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O MOL29892
-O=C(O)C1C=CCN1C(=O)C1C=CCN1C(=O)C1C=CCN1 MOL29893
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29894
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29895
-COC(=O)CCC(NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)C(CCC(=O)OC)NC(C)=O)C(N)=O MOL29896
-CC(C)N(CC(OC(=O)OC(C)(C)C)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C MOL29897
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29898
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL29899
-CC(C)NCC(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1NC(=O)CCC(=O)O.Cl MOL29900
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1C(=O)OCc1ccccc1 MOL29901
-CCOC(=O)C(NC(=O)OCc1ccccc1)C(=O)O.[NaH] MOL29902
-CC(C)(C)OC(=O)NC(CSSCC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O MOL29903
-CC(C)(C)OC(=O)NC(CS(=O)(=O)O)C(=O)O.[NaH] MOL29904
-COC(=O)C(Cc1ccccc1)NC(=O)C(CS)NC(=O)OC(C)(C)C MOL29905
-COC(=O)C(Cc1ccccc1OC)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL29906
-COC(=O)C(Cc1cccc(O)c1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL29907
-COC(=O)C(Cc1cccc(OC)c1)NC(=O)OC(C)(C)C MOL29908
-COC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C MOL29909
-O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)O MOL29910
-CC(C)=NOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OC(C)(C)C MOL29911
-CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl MOL29912
-CC(C)(C)OC(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1 MOL29913
-CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O MOL29914
-CNC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C MOL29915
-CNC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 MOL29916
-CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)ON=C1CCCC1 MOL29917
-O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)O MOL29918
-CC(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(N)=O MOL29919
-COc1ccc(N2C(=O)CC(c3c[nH]c4ccccc34)C2=O)cc1 MOL29920
-COc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C)CC4C3C2=O)c1 MOL29921
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C)CC4C3C2=O)cc1 MOL29922
-O=Cc1cn(CCCCCn2cc(C=O)c3ccccc32)c2ccccc12 MOL29923
-O=Cc1cn(CCCCCCCCCCCCn2cc(C=O)c3ccccc32)c2ccccc12 MOL29924
-O=[N+]([O-])C=Cc1cn(CCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12 MOL29925
-O=[N+]([O-])C=Cc1cn(CCCCCCCCCCCCn2cc(C=C[N+](=O)[O-])c3ccccc32)c2ccccc12 MOL29926
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21 MOL29927
-O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21 MOL29928
-O=C(NCc1ccc(O)cc1O)c1ccccc1O MOL29929
-O=C(NCc1ccccc1O)c1ccc(O)cc1O MOL29930
-CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(N)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL29931
-CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(N)ncnc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL29932
-CC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c(=N)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL29933
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=N)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL29934
-CC(C)C(=O)OCC1OC(n2c(Br)nc3c(O)nc(N)nc32)C(OC(=O)C(C)C)C1OC(=O)C(C)C MOL29935
-CC(C)(C)[Si](C)(C)OCC1OC(n2cc(I)c(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL29936
-COCC(N=CC(C)(C)C)C(C)C MOL29937
-COC(=O)C(C)(N=Cc1ccccc1)c1ccccc1 MOL29938
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4Cl)C(=O)C3C2C1 MOL29939
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)C3C2C1 MOL29940
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)C3C2C1 MOL29941
-COc1cc([N+](=O)[O-])ccc1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O MOL29942
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(C#N)cc4)C(=O)C3C2C1 MOL29943
-Cc1cccc(C)c1N1C(=O)C2c3[nH]c4ccccc4c3C3CCC(C(C)(C)C)CC3C2C1=O MOL29944
-CC1CCC2c3c([nH]c4ccccc34)C3C(=O)N(C4CCCCC4)C(=O)C3C2C1 MOL29945
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cccc(Cl)c4)C(=O)C3C2C1 MOL29946
-Cc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1C MOL29947
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)C3C2C1 MOL29948
-CC(=O)Oc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL29949
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)C3C2C1 MOL29950
-Cc1[nH]c2ccccc2c1C1=CC(=O)N(c2ccccc2)C1=O MOL29951
-O=C1C=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1 MOL29952
-Cn1c2ccc(F)cc2c2ccc3c(c21)C(=O)C=CC3=O MOL29953
-CC[N+](C)(C)C1=C([O-])C(F)(F)C1=O MOL29954
-CCCC[N+](CCCC)(CCCC)C1=C([O-])C(F)(F)C1=O MOL29955
-C[N+]1(C2=C([O-])C(F)(F)C2=O)CCOCC1 MOL29956
-CC[N+]1(C2=C([O-])C(F)(F)C2=O)CCCCC1 MOL29957
-CC[N+](C)(C)CC(O)(O)C(F)F.[Cl-] MOL29958
-C[N+]1(CC(O)(O)C(F)F)CCOCC1.[Cl-] MOL29959
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3C2C1 MOL29960
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=[N+]([O-])C(C)(C)C)O2)c(=O)[nH]c1=O MOL29961
-Cc1cn(C2CC(Br)=NO2)c(=O)[nH]c1=O MOL29962
-CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCCCCCCCCCCC MOL29963
-CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCC=CCCCCCCCC MOL29964
-CC(C)(C)ON=Cc1cc(NC(=S)c2ccsc2)ccc1Cl MOL29965
-Cc1sccc1C(=S)Nc1ccc(Cl)c(C=NOC(C)(C)C)c1 MOL29966
-CC(C)CC(NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(COCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl MOL29967
-Cl.NCCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O MOL29968
-CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O MOL29969
-CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O MOL29970
-CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)O MOL29971
-CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O MOL29972
-CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)O MOL29973
-Cl.NCCCCC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)ON1C(=O)CCC1=O MOL29974
-CC(C)CC(NC(=O)C(N)CCC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O.Cl MOL29975
-Cl.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O MOL29976
-CC(C)CC(NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(COCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O MOL29977
-CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(COCc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl MOL29978
-Cl.NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl MOL29979
-CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O MOL29980
-CC(NC(=O)C(NC(=O)C(NC(=O)C(F)(F)F)C(C)C)C(C)C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl MOL29981
-CC(NC(=O)C(NC(=O)CNC(=O)OC(C)(C)C)C(C)C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl MOL29982
-CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 MOL29983
-COC(=O)C(Cc1ccccc1)NC(=O)CCCNC(=O)OCc1ccccc1 MOL29984
-NC(CCC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCc1ccccc1)C(=O)O MOL29985
-COC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)OCc1ccccc1 MOL29986
-COC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)OCc1ccccc1 MOL29987
-CC(C)(C)OC(=O)[N+](=[N-])C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1 MOL29988
-COC(=O)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NN.Cl MOL29989
-COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OCc1ccccc1 MOL29990
-CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(C)=O MOL29991
-COC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C MOL29992
-COC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C MOL29993
-CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C MOL29994
-CNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C MOL29995
-CC(NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(N)=O MOL29996
-CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(N)=O MOL29997
-CC(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(N)=O MOL29998
-CNC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1 MOL29999
-NC(=O)C1CCCN1C(=O)C(Cc1c[nH]cn1)NC(=O)C1CCCC1 MOL30000
-O=C(NC(Cc1c[nH]cn1)C(=O)N1CCCC1)C1CCCC1 MOL30001
-O=C1CN(C(=O)C2CCCN2C(=O)C2CCCN2)C(=O)CN1 MOL30002
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL30003
-COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(F)c(OC)c(C(=O)OC)c2)cc(F)c1OC MOL30004
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[CaH2] MOL30005
-C=C(C)C(CC=C(C)C)Cc1c(O)cc(OC)c2c1OC(c1ccc(O)cc1O)C(O)C2=O MOL30006
-c1ccc2oc(-c3ccc(-c4nc5ccccc5o4)c4c3CC4)nc2c1 MOL30007
-COc1ccccc1C=NNc1nnc2c3ccccc3c3ncccc3c2n1 MOL30008
-COC(=O)C1CCOC(C)N1C(=O)OC(C)(C)C MOL30009
-COc1cc(C=CC=C2CCCC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O MOL30010
-COc1cc(C=CC=C2CC(C)CC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O MOL30011
-O=c1cnn(C2OC(C(O)CO)C(O)C2O)c(=O)[nH]1 MOL30012
-NC(=O)c1cnc2sc3ccccc3n2c1=O MOL30013
-COC(=O)C(C#N)=C1NC(=O)CC(c2ccccc2)C1C#N MOL30014
-N#Cc1c2c(c(N)oc1=O)C(c1ccccc1)CC(=O)N2 MOL30015
-CC1Cc2c(cc(N)nc2Br)NC1=O MOL30016
-CCCCP(CCCC)(CCCC)=C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1 MOL30017
-CCCC[P+](CCCC)(CCCC)C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1.[Cl-] MOL30018
-COC(C(OC(=O)c1ccccc1)C(OC(=O)c1ccccc1)C(O)COC(=O)c1ccccc1)n1cc(C)c(=O)[nH]c1=O MOL30019
-Cc1ccc(-n2c(=O)c3nn4c(=O)n(-c5ccc(C)cc5)c(=O)c4nn3c2=O)cc1 MOL30020
-CCCn1c(=O)c2nn3c(=O)n(CCC)c(=O)c3nn2c1=O MOL30021
-CCOc1ccc(-n2c(=O)c3nn4c(=O)n(-c5ccc(OCC)cc5)c(=O)c4nn3c2=O)cc1 MOL30022
-O=c1c2nn3c(=O)n(-c4ccc(Cl)cc4)c(=O)c3nn2c(=O)n1-c1ccc(Cl)cc1 MOL30023
-O=c1c2nn3c(=O)n(-c4ccccc4)c(=O)c3nn2c(=O)n1-c1ccccc1 MOL30024
-COc1ccc(C(OCC2OC(n3ccc(NC(=O)c4ccccc4)nc3=O)CC2OP2(=S)SCCS2)(c2ccccc2)c2ccc(OC)cc2)cc1 MOL30025
-C=CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2 MOL30026
-CCCCCCCCC=CCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL30027
-Cn1c(-c2csc(-c3ccc(Cl)cc3)n2)n[nH]c1=S MOL30028
-C=C1C(=O)OC2C=C(C)C3=CC(=O)C(C)(CC(OC(=O)C(C)=CC)C12)O3 MOL30029
-C=C(C)C1(O)OC2CC3(C)OC(=CC3=O)C(C)=CC3OC(=O)C1(C)C32 MOL30030
-CN1C(c2ccccc2)=CC(=O)C(O)=C(c2ccccc2)S1(=O)=O MOL30031
-CC1CCC(C(C)C)C(OC(=O)C(C(=O)OC2CC(C)CCC2C(C)C)C(O)C2OC(C)(C)OC2C2COC(C)(C)O2)C1 MOL30032
-[N-]=[N+]=Nc1c(Cc2ccccc2)c(=O)oc2ccccc12 MOL30033
-[N-]=[N+]=NC1(c2ccccc2)C(=O)Nc2ccccc2C1=O MOL30034
-[N-]=[N+]=Nc1c(C=O)c(=O)n(-c2ccccc2)c2ccccc12 MOL30035
-[N-]=[N+]=NC1=C(c2ccccc2)C(=O)c2cccc3cccc1c23 MOL30036
-CCCCCCCCCC1(N=[N+]=[N-])C(=O)c2ccccc2N(C)C1=O MOL30037
-[N-]=[N+]=Nc1c([N+](=O)[O-])c(Cl)nc2ccccc12 MOL30038
-[N-]=[N+]=Nc1c(Cl)c(=O)n(-c2ccccc2)c2ccccc12 MOL30039
-COc1c(Cl)nc2ccccc2c1N=[N+]=[N-] MOL30040
-[N-]=[N+]=NC1=CC(=O)c2cccc3cccc1c23 MOL30041
-[N-]=[N+]=Nc1c(C=O)c(=O)n2c3c(cccc13)CCC2 MOL30042
-[N-]=[N+]=Nc1nc2ccccc2c(N=[N+]=[N-])c1Cl MOL30043
-[N-]=[N+]=NC1=C(c2ccccn2)C(=O)c2cccc3cccc1c23 MOL30044
-CCCCCCCC1(N=[N+]=[N-])C(=O)Nc2ccccc2C1=O MOL30045
-[N-]=[N+]=Nc1c(N2CCOCC2)c(Cl)nc2ccccc12 MOL30046
-[N-]=[N+]=Nc1c(-c2ccccc2)c(Cl)nc2ccccc12 MOL30047
-CCOC(=O)c1c(Cl)nc2ccccc2c1N=[N+]=[N-] MOL30048
-Cn1c(=O)c(Cl)c(N=[N+]=[N-])c2ccccc21 MOL30049
-[N-]=[N+]=Nc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12 MOL30050
-N#Cc1c(Cl)nc2ccccc2c1N=[N+]=[N-] MOL30051
-[N-]=[N+]=Nc1c(Cc2ccccc2)c(Cl)nc2ccccc12 MOL30052
-[N-]=[N+]=Nc1c(Cl)c(Cl)nc2ccccc12 MOL30053
-CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1cccc2cnccc12)CCC(=O)ON1C(=O)CCC1=O MOL30054
-CC(=O)OC1C(COC(=O)c2ccccc2)OC(Nc2ncc(-c3ccc(Br)cc3)s2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1 MOL30055
-Cc1ccc(-c2cnc(NC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)s2)cc1 MOL30056
-Br.NC1OC(COC(=O)c2ccccc2)C(O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1 MOL30057
-CC(=O)OCC1OC(OC(C)=O)C(Nc2ncc(-c3ccc(C)cc3)s2)C(OC(C)=O)C1OC(C)=O MOL30058
-CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL30059
-CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.[NaH] MOL30060
-CCCCCCCCCCCCCCCCOCC(Cl)COP(=O)(O)OP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O.[NaH] MOL30061
-CCCCCCCCCCCCCCCCOP(=O)(O)OCC(N)C(=O)O.N MOL30062
-CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)CC1O.[NaH] MOL30063
-CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)CC1O.[NaH] MOL30064
-CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL30065
-CCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL30066
-CCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL30067
-CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL30068
-CCCCCCCCCCCCCCCCOCC(Cl)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.[NaH] MOL30069
-CCCCCCCCCCCCCCCCP(=O)(O)OCC(N)C(=O)O.N MOL30070
-CCCCCCCCCCCCCCCCP(=O)([O-])OCC[N+](C)(C)C MOL30071
-CC1(C)C=C(C=NNc2ccc([N+](=O)[O-])cc2)C(C#N)=C(O)C1(C#N)C#N MOL30072
-Cc1ccc(SC(C)C(O)(C(N)=O)c2ccccc2)cc1 MOL30073
-CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)O)C(=O)O)cc1.[NaH] MOL30074
-CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH] MOL30075
-O=[Sb](O)(O)c1ccccc1 MOL30076
-Cc1ccc([N+](=O)[O-])c2c(NCC(O)CO)ccnc12.Cl MOL30077
-CN(CCCl)CCCn1ccnc1[N+](=O)[O-].Cl MOL30078
-O=C(O)CCCc1ccc(N(CCCl)OCCCl)cc1 MOL30079
-CCCNC(=O)Cn1c(C)cc2ccccc21 MOL30080
-Cc1cc2ccccc2n1CC(=O)NCC(C)C MOL30081
-CCN(CC)C(=O)Cn1c(C)cc2ccccc21 MOL30082
-Cc1cc2ccccc2n1CC(=O)N1CCCC1 MOL30083
-CCCNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 MOL30084
-CC(C)CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 MOL30085
-CCN(CC)C(=O)Cn1c(-c2ccccc2)cc2ccccc21 MOL30086
-O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCCC1 MOL30087
-O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCOCC1 MOL30088
-CC1=CC2(C)CC3=C(C1)[NH+](c1ccc(C)cc1)[Ti]1456(C7=C1[C-]4C5=C76)([NH+]3c1ccc(C)cc1)[NH+](c1ccc(C)cc1)c1c2[nH]c2ccc(C)cc12 MOL30089
-CC(=O)N1C(C(=O)NNc2ccccc2)CSC1c1ccccc1 MOL30090
-CCOC(=O)NNC(=O)C1CSC(c2ccccc2)N1C(C)=O MOL30091
-COc1ccc(COC(=O)NNC(=O)C2CSC(c3ccccc3)N2C(C)=O)cc1 MOL30092
-CC(=O)N1C(C(=O)NC2CCCCC2)CSC1c1ccccc1 MOL30093
-CC(=O)N1C(C(=O)NN2CCOCC2)CSC1c1ccccc1 MOL30094
-CN1CCN(CC(=O)N2CCCn3c2nc2ccccc2c3=O)CC1 MOL30095
-O=C(CN1CCN(c2ccccn2)CC1)N1CCCn2c1nc1ccccc1c2=O MOL30096
-O=C(CN1CCN(Cc2ccccc2)CC1)N1CCCn2c1nc1ccccc1c2=O MOL30097
-Cc1cc2nnc(C(N)=O)c(N)c2cc1C MOL30098
-NC(=O)c1nnc2ccc(F)cc2c1N MOL30099
-NC(=O)c1nnc2cc(F)ccc2c1N MOL30100
-NC(=O)c1nnc2cc(F)c(F)cc2c1N MOL30101
-NC(=O)c1nnc2c(F)cccc2c1N MOL30102
-Nc1c(C(=O)O)nnc2ccc(Cl)cc12 MOL30103
-Nc1c(C(=O)O)nnc2cc(Cl)ccc12 MOL30104
-Nc1c(C(=O)O)nnc2cc(Cl)c(Cl)cc12 MOL30105
-I.OCCN(C1=NCCN1)[N+](=Cc1ccc(Cl)cc1)[CH-]c1ccc(Cl)cc1 MOL30106
-I.N#Cc1ccc(C=[N+]([CH-]c2ccc(C#N)cc2)N(CCO)C2=NCCN2)cc1 MOL30107
-I.OCCN(C1=NCCN1)[N+](=Cc1ccccc1O)[CH-]c1ccccc1O MOL30108
-CC(=O)OCCN(C1=NCCN1)[N+](=Cc1ccc(C#N)cc1)[CH-]c1ccc(C#N)cc1.I MOL30109
-I.O=C(O)c1ccccc1C=NNC1=NCCCCN1 MOL30110
-I.O=C(O)c1ccccc1C=NNC1=NCCN1 MOL30111
-I.O=C1Nc2ccccc2C1=NNC1=NCCCCN1 MOL30112
-CN(N=Cc1ccccc1C(=O)O)C1=NCCCCN1.I MOL30113
-CN(N=Cc1ccc(Cl)cc1)C1=NCCCCN1.I MOL30114
-CN(N=Cc1ccc(Cl)c(Cl)c1)C1=NCCCCN1.I MOL30115
-CN(N=Cc1ccc(Cl)c(Cl)c1)C1=NCCN1.I MOL30116
-CN(N=Cc1ccccn1)C1=NCCCCN1.I MOL30117
-CN(N=Cc1ccccn1)C1=NCCCN1.I MOL30118
-CN(N=Cc1ccccn1)C1=NCCN1.I MOL30119
-C(C=NNC1=NCCCCN1)=NNC1=NCCCCN1.I MOL30120
-C(C=NNC1=NCCCN1)=NNC1=NCCCN1.I MOL30121
-C(C=NNC1=NCCN1)=NNC1=NCCN1.I MOL30122
-CC(C=NNC1=NCCCCN1)=NNC1=NCCCCN1.I MOL30123
-CC(C=NNC1=NCCCN1)=NNC1=NCCCN1.I MOL30124
-CN(N=CC=NN(C)C1=NCCCCN1)C1=NCCCCN1.I MOL30125
-CN(N=CC=NN(C)C1=NCCCN1)C1=NCCCN1.I MOL30126
-CN(N=CC=NN(C)C1=NCCN1)C1=NCCN1.I MOL30127
-I.O=C(NNC1=NCCCN1)Nc1ccccc1 MOL30128
-I.O=C(NNC1=NCCCCN1)Nc1ccc(Cl)cc1 MOL30129
-I.S=C(NNC1=NCCCN1)Nc1ccccc1 MOL30130
-I.S=C(NNC1=NCCN1)Nc1ccccc1 MOL30131
-CNC(=S)NNC1=NCCCCN1.I MOL30132
-CNC(=S)NNC1=NCCCN1.I MOL30133
-I.S=C(NNC1=NCCCCN1)Nc1ccc(Cl)cc1 MOL30134
-CN(NC(=O)c1ccc(Cl)cc1)C1=NCCCCN1.I MOL30135
-CN(NC(=O)c1cccs1)C1=NCCCCN1.I MOL30136
-CN(NC(=O)c1cccs1)C1=NCCCN1.I MOL30137
-CN(NC(=O)c1cccs1)C1=NCCN1.I MOL30138
-I.O=C(O)c1ccccc1C=NNC1=NCCCCN1 MOL30139
-I.O=C(O)c1ccccc1C=NNC1=NCCN1 MOL30140
-CNN=C(C=Cc1ccccc1)C(C)C MOL30141
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OP(=O)(O)OCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL30142
-CCOP(=O)(OCC)OC1CC(n2cnc3c(N(CC)CC)ncnc32)OC1CO[Si](C)(C)C(C)(C)C MOL30143
-CCOP(=O)(OCC)OC1CC(n2cc(C)c(=O)n(C)c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL30144
-CCOC(=O)C1=C(O)C(=O)NC(C(=O)OCC)=C(c2ccccc2)C1 MOL30145
-CC=C(C)C(=O)OC1CCN2CCC(COC(=O)C(=CC)CO)C12 MOL30146
-COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1O MOL30147
-COc1cc(C2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc(OC)c1OC(C)=O MOL30148
-COc1cc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O MOL30149
-COc1ccc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1OC MOL30150
-COc1ccc(C2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1 MOL30151
-COc1ccccc1C1C2=C(COC2=O)OC(C)(C)Oc2cc3c(cc21)OCO3 MOL30152
-C=C(C)C1CC(=O)C2(C)CC3OC3(C)CCC=C(C)CCC12 MOL30153
-c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2 MOL30154
-COc1ccc(C=C2CN(C)CC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC.Cl MOL30155
-Cc1ccc(C=C2CN(C)CC3=C2NC(=S)NC3c2ccc(C)cc2)cc1.Cl MOL30156
-CN1CC(=Cc2ccccc2Cl)C2=C(C1)C(c1ccccc1Cl)NC(=S)N2.Cl MOL30157
-COc1cc(C=C2CN(C)CC3=C2NC(=S)NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl MOL30158
-ON=C1C=Cc2nn(-c3ccccc3)nc2C1=NO MOL30159
-Oc1ccccc1-n1nc2ccc3nonc3c2n1 MOL30160
-O=[N+]([O-])c1ccc(-n2nc3ccc4nonc4c3n2)cc1 MOL30161
-Cc1noc(C)c1-n1nc2ccc3nonc3c2n1 MOL30162
-O=[N+]([O-])c1cc2nn[nH]c2c2nonc12 MOL30163
-Brc1cc2nn(-c3ccccc3)nc2c2nonc12 MOL30164
-O=[N+]([O-])c1c(O)c2nonc2c2nn(-c3ccccc3)nc12 MOL30165
-O=[N+]([O-])c1ccc(-n2nc3ccc4c(no[n+]4[O-])c3n2)cc1 MOL30166
-O=[N+]([O-])c1ccc(-n2nc3ccc4c(no[n+]4[O-])c3[n+]2[O-])c([N+](=O)[O-])c1 MOL30167
-CN1C(=CN=O)C(C)(C)N(O)C1(C)C MOL30168
-CC(CC1SCCCS1)=C(C)CC1SCCCS1 MOL30169
-COCn1cc(C2=C(C)C(=O)C(C)=C(C)C2=O)cn1 MOL30170
-Cc1nc(NCCNCCO)nc2c1C(=O)Nc1ccccc1N2 MOL30171
-O=c1c(F)cn2c(=O)n1CCCCCCCn1c(=O)c(F)cn(c1=O)CCCCCCC2 MOL30172
-Cn1c2ccccc2c(=O)c2[nH]c3ccccc3c21 MOL30173
-COc1ccc(CC2NC(=O)C3CCCN3C2=O)cc1 MOL30174
-O=C1NC(Cc2ccc(Cl)cc2)C(=O)N2CCCC12 MOL30175
-O=C1NC(Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCCC12 MOL30176
-O=C1NC(Cc2ccc(O)c(O)c2)C(=O)N2CCCC12 MOL30177
-CCOP(=O)(OCC)C(Cc1ccc(OC)c(OC)c1)N=C(c1ccccc1)c1ccccc1 MOL30178
-COC(=O)C(Cc1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC MOL30179
-NC(Cc1ccc(O)c(O)c1)P(=O)(O)O MOL30180
-CCOP(=O)(OCC)C(N)Cc1ccc(OC)c(OC)c1.O=C(O)C(=O)O MOL30181
-NC(Cc1c[nH]c2ccccc12)P(=O)(O)O MOL30182
-CCOP(C)(=O)C(N)Cc1ccc(OC)c(OC)c1.O=C(O)C(=O)O MOL30183
-COC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC MOL30184
-CCOP(C)(=O)C(Cc1ccc(OC)c(OC)c1)=NO MOL30185
-COP(=O)(OC)C(=Cc1c[nH]c2ccccc12)C(=O)O MOL30186
-CC1(C)Oc2ccc(NC(=O)CCC(N)C(=O)O)cc2O1 MOL30187
-O=C(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 MOL30188
-O=C(CCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1cccc(OCc2ccccc2)c1 MOL30189
-O=C(CCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Nc1ccc(OCc2ccccc2)cc1 MOL30190
-Cc1ccc(S(=O)(=O)n2ccnc2)cc1 MOL30191
-CCOC(=O)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)P(=O)(OCC)OCC MOL30192
-COP(=O)(OC)C(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC=O MOL30193
-CC(=O)OCc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 MOL30194
-COP(=O)(OC)C(NC=O)P(=O)(OC)OC MOL30195
-NC(c1ccccc1)P(=O)(O)O MOL30196
-CCOP(=O)(OCC)C(Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)O MOL30197
-Cc1ccc(S(=O)(=O)n2cncc2CO)cc1 MOL30198
-CC(=O)OCc1cncn1S(=O)(=O)c1ccc(C)cc1 MOL30199
-CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL30200
-CCOC(=O)C1=C(c2ccccc2)C12N(Cc1ccccc1)C(=O)C2(c1ccccc1)c1ccccc1 MOL30201
-CN(C)CCNc1nc2c(no[n+]2[O-])c2ccccc12.[O-][Cl+3]([O-])([O-])O MOL30202
-c1cc2nnc1SCCSCCCSCCS2 MOL30203
-c1cc2nnc1SCCSCCSc1ccc(nn1)SCCSCCS2 MOL30204
-c1cc2nnc1SCCSCCSCCSc1ccc(nn1)SCCSCCSCCS2 MOL30205
-c1ccc2c3nnc(c2c1)SCCSCCCSCCS3 MOL30206
-c1ccc2c3nnc(c2c1)SCCCSc1nnc(c2ccccc12)SCCCS3 MOL30207
-c1ccc2c3nnc(c2c1)SCCSCCSc1nnc(c2ccccc12)SCCSCCS3 MOL30208
-COCC(N=CN1CCCc2ccccc2C1CCCCl)C(C)(C)C MOL30209
-COC(=O)CCc1c(Cc2ccc[nH]2)[nH]c(C(=O)OCc2ccccc2)c1C MOL30210
-COc1cc(OC)cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)c1.Cl MOL30211
-O=C(NCP(=O)(c1ccccc1)c1ccccc1)OCc1ccccc1 MOL30212
-CCOP(C)(=O)C(Cc1c[nH]c2ccccc12)C(=O)O MOL30213
-CCOC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(C)(=O)OCC MOL30214
-CCOC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(C)(=O)OCC MOL30215
-CC(=O)OC(OC(C)=O)n1cc(C=O)c2ccccc21 MOL30216
-CCOP(=O)(OCC)C(Cc1c[nH]c2ccccc12)C(=O)O MOL30217
-COP(=O)(OC)C(Cc1cn(C(C)=O)c2ccccc12)C(=O)O MOL30218
-CCOC(=O)C(Cc1cn(C(C)=O)c2ccccc12)P(=O)(OCC)OCC MOL30219
-COP(=O)(OC)C(N)Cc1c[nH]c2ccccc12 MOL30220
-COP(C)(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 MOL30221
-COP(=O)(OC)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 MOL30222
-COP(=O)(O)C(N)Cc1c[nH]c2ccccc12 MOL30223
-CP(=O)(O)C(N)Cc1c[nH]c2ccccc12 MOL30224
-CCOC(=O)C(=Cc1cn(C(C)=O)c2ccccc12)P(=O)(OC)OC MOL30225
-COP(=O)(OC)C(=Cc1cn(C(C)=O)c2ccccc12)NC(C)=O MOL30226
-CCOP(=O)(CN=C(c1ccccc1)c1ccccc1)OCC MOL30227
-COC(=O)C(Cc1c[nH]cn1)N=C(c1ccccc1)c1ccccc1 MOL30228
-OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 MOL30229
-CCCCSCCC(N)P(=O)(O)O MOL30230
-CSCCC(NC(=O)OCc1ccccc1)P(=O)(O)c1ccccc1 MOL30231
-CSCCC(NOC(=O)Cc1ccccc1)P(=O)(O)c1ccccc1 MOL30232
-CC(=O)SCCC(NC(=S)Nc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 MOL30233
-CSCCC(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL30234
-CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1 MOL30235
-CCNC(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C MOL30236
-CC(C)(C)OC(=O)C1CCCC1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL30237
-CCOC(=O)C1CCCC1S(=O)(=O)c1ccc(C)cc1 MOL30238
-CCC(C(=O)c1ccc(OC)c(OC)c1)N(C(=O)C(F)(F)F)C(C)c1ccccc1 MOL30239
-c1ccc(COc2ccc(CC3SCCCS3)cc2)cc1 MOL30240
-CCOC(=O)C(CCCC(C(=O)OCC)C(=O)OCC)C(=O)OCC MOL30241
-CCC(NC(C)c1ccccc1)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.Cl MOL30242
-O=C(NC1CCCC1C(=O)Nc1ccc(C(F)(F)F)cc1)OCc1ccccc1 MOL30243
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O MOL30244
-NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F MOL30245
-CCC(NC(C)c1ccccc1)C(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.Cl MOL30246
-CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(N)=O MOL30247
-CC(=O)NC(CCCOC(C)=O)C(=O)NC(CCCOC(C)=O)C(=O)NC(CCCOC(C)=O)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1 MOL30248
-COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc(NC(=O)CCCC(C)=O)cc1)C(=O)NC(CCC(=O)OC)C(=O)OC MOL30249
-CNC(=O)CCC(NC(C)=O)C(=O)NC(Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NC(CCC(=O)NC)C(=O)NC MOL30250
-CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)CCCCC(C)=O)cc1)NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C MOL30251
-COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCC(=O)OC)C(=O)OC MOL30252
-O=C1c2ccccc2C(=O)N1CC(O)COc1cccc2ccccc12 MOL30253
-CC(C)(C)OC(=O)NCCc1ccc(N)cc1.Cl MOL30254
-Cl.Nc1ccc(OCC(O)N2C(=O)c3ccccc3C2=O)cc1 MOL30255
-CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O MOL30256
-COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1 MOL30257
-CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)NC(=O)OCc1ccccc1 MOL30258
-CC(NC(C#N)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 MOL30259
-CC(NC(CC12CC3CC(CC(C3)C1)C2)C(N)=O)c1ccccc1 MOL30260
-NC(=O)C(N)CC12CC3CC(CC(C3)C1)C2.O=S(=O)(O)O MOL30261
-COC(=O)C(CC12CC3CC(CC(C3)C1)C2)NC(=O)C(N)CC(=O)O MOL30262
-CC(NC(=O)C(N)CC(=O)O)C(=O)OC12CC3CC(CC(C3)C1)C2 MOL30263
-CCOC(=O)C(NC(=O)OC(C)(C)C)C(=O)OCC MOL30264
-N#Cc1ccc(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)cc1 MOL30265
-C=CCC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC MOL30266
-CCCC[S+](N)(=O)CCC(N)P(=O)(O)O.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 MOL30267
-COP(C)(=O)C(Cc1ccccc1)=NO MOL30268
-CSCCC(N)P(C)(=O)O MOL30269
-C[S+](N)(=O)CCC(N)P(=O)(O)O.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 MOL30270
-COP(=O)(OC)C(=CC1=CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CN1)NC=O MOL30271
-CSCCC(NC(c1ccccc1)c1ccccc1)[PH](=O)O MOL30272
-CCOP(=O)(OCC)C(Cc1ccccc1)N=C(c1ccccc1)c1ccccc1 MOL30273
-COP(=O)(OC)C(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(C)=O MOL30274
-CCCCS(=O)CCC(N)P(=O)(O)O MOL30275
-CCCCS(=O)(=O)CCC(N)P(=O)(O)O MOL30276
-COP(C)(=O)C(N)Cc1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 MOL30277
-O=C(NC(Cc1ccccc1)P(=O)(O)c1ccccc1)OCc1ccccc1 MOL30278
-CP(=O)(O)C(N)c1ccccc1 MOL30279
-COP(=O)(OC)C(N)CCSC.O=C(O)C(=O)O MOL30280
-NC(P(=O)(O)O)P(=O)(O)O MOL30281
-COP(=O)(OC)C(=Cc1c[nH]cn1)NC=O MOL30282
-CS(=O)(=O)CCC(N)P(=O)(O)O MOL30283
-O=C(NCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 MOL30284
-N#CSC#Cc1ccc(C#CSC#N)cc1 MOL30285
-N#CSC#CCCC#CSC#N MOL30286
-CC(=O)CCCCC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc2ccccc2)cc1 MOL30287
-COC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1 MOL30288
-CNC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)NC MOL30289
-CNC(=O)CCC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc(NC(=O)CCCCC(C)=O)cc1)C(=O)NCC(=O)NC MOL30290
-C=[N+](CNC(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C)C(=O)CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C MOL30291
-C=[N+](CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C MOL30292
-CCOC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC MOL30293
-NCCCCC(NC(=O)OCc1ccccc1)C(=O)NCC(N)=O MOL30294
-CCOC(=O)CCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCC MOL30295
-O=C(NCC(=O)N1CCCC1C(=O)OC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1)OCc1ccccc1 MOL30296
-CC(C)(NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)O MOL30297
-CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O MOL30298
-CC(C)(NC(=O)OCc1ccccc1)C(=O)OC(=O)C(C)(C)NC(=O)OCc1ccccc1 MOL30299
-CC(C)(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NN.Cl MOL30300
-CCCCCCNCCc1c[nH]cn1.Cl MOL30301
-CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 MOL30302
-CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1 MOL30303
-CC(C)CC1N=C(OCc2ccccc2)OC1=O MOL30304
-CC1N=C(c2ccccc2)OC1=O MOL30305
-Cl.OC1CN2CCCC(O)C2C(O)C1O MOL30306
-Cl.OC1CN2CCCC(O)C2C(O)C1O MOL30307
-OC1CN2CCCCC2C(O)C1O MOL30308
-CN(C)CC1CCCC(CN2CCCCC2)C1=O.Cl MOL30309
-CN(C)CC1CCCC(=Cc2ccccc2)C1=O.Cl MOL30310
-Cc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1.Cl MOL30311
-CN(C)CC1CCCC(=Cc2ccc(N(C)C)cc2)C1=O.Cl MOL30312
-Cl.O=C1C(=Cc2ccccc2)CCCC1CN1CCCCC1 MOL30313
-Cc1ccc(C=C2CCCC(CN3CCCCC3)C2=O)cc1.Cl MOL30314
-CC(C)(CN1CCCCC1)C(=O)C=Cc1c(Cl)cccc1Cl.Cl MOL30315
-CC(C)C(=O)C=Cc1ccc(Cl)cc1Cl MOL30316
-CC(C)C(=O)C=Cc1c(Cl)cccc1Cl MOL30317
-COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C MOL30318
-CC1(C)NC(=O)C(NC(=O)C(N)CC(=O)O)CCCCNC(=O)CCNC1=O MOL30319
-COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1 MOL30320
-CC1(C)NC(=O)C(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCNC(=O)CCNC1=O MOL30321
-COC(=O)C1CCC(=O)NCCCCC(NC(=O)C(N)CC(=O)O)C(=O)N1 MOL30322
-O=C(O)CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 MOL30323
-CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)O)C(O)c1ccccc1 MOL30324
-CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 MOL30325
-CC(NC(=O)OCc1ccccc1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C MOL30326
-COC(=O)C(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(O)c1ccccc1 MOL30327
-CC(NC(=O)C(N)CC(=O)O)NC(=O)C1CCC1 MOL30328
-CC(NC(=O)NC(C)(C)C)NC(=O)C(N)CC(=O)O MOL30329
-CC(NC(=O)C(N)CC(=O)O)NC(=O)N1CCCC1 MOL30330
-CC(NC(=O)C(N)CC(=O)O)NC(=O)N1CCOCC1 MOL30331
-CC(NC(=O)C(N)CC(=O)O)NC(=O)N(C)C(C)(C)C MOL30332
-CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC(=O)O MOL30333
-CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)NCCC(=O)OCc1ccccc1 MOL30334
-Cl.NC(C(=O)OC(=O)c1ccccc1)C(=O)OC(=O)c1ccccc1 MOL30335
-CC(C)(C)OC(=O)NCCCCC(NC(=O)c1ccccc1)C(N)=O MOL30336
-CC(C)(C)OC(=O)NCCCCC(N)C(N)=O MOL30337
-CC(C)(C)OC(=O)NCCCCC(N)NC(=O)c1ccccc1.O=C(O)C(F)(F)F MOL30338
-CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(N)=O MOL30339
-CC(C)CC(C(N)=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C MOL30340
-CC(C)CC(NC=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C MOL30341
-CC(C)CC(NC=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.O=C(O)C(F)(F)F MOL30342
-CC(C)CC(C(N)=O)C(=O)NC(Cc1ccccc1)NC(=O)CNC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.O=C(O)C(F)(F)F MOL30343
-COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)CC1 MOL30344
-CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(N)=O MOL30345
-CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(N)=O MOL30346
-O=C1NC(=O)C2(CCCCCC2)N1 MOL30347
-CC(OC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL30348
-COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCCC1 MOL30349
-CS(=O)(=O)[O-].C[n+]1cccc2ccc3cccnc3c21 MOL30350
-CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2 MOL30351
-CC(=O)Oc1c(C)cc2c(c1C)C(C)CN2C(C)=O MOL30352
-CC(=O)N1CC(C)(C)c2c1cc(C)c(O)c2C MOL30353
-CC(=O)Oc1c(C)cc2c(c1C)C(C)(C)CN2C(=O)C(C)(C)C MOL30354
-Cc1cc2c(c(C)c1O)C(C)(C)CN2C(=O)C(C)(C)C MOL30355
-CC(=O)N1CC(C)(C)c2c(C)c(O)c(C)c(C)c21 MOL30356
-Cc1c(O)c(C)c2c(C)cn(C(=O)C(C)(C)C)c2c1C MOL30357
-CCCCCCCCCCCCSCC12c3ccccc3C(c3ccccc31)C(C(=O)O)C2C(=O)O MOL30358
-CC(NC(=O)C(Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)NC(=O)OCc1ccccc1 MOL30359
-CCOC(=O)C(CCSC)(CCSC)C(=O)OCC MOL30360
-CC(NC(=O)C(Cc1ccc(OC(=O)c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NN MOL30361
-CC(C)CC1C(=O)OC(C)(C)OC1=O MOL30362
-COC(=O)C1(NC(=O)C(CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCC1 MOL30363
-COC(=O)C1(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1 MOL30364
-COC(=O)C1(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1C MOL30365
-COC(=O)C1(NC(=O)C(N)CC(=O)O)CC1(C)C MOL30366
-COC(=O)C1(NC(=O)C(N)CC(=O)O)C(C)C1C MOL30367
-CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C MOL30368
-CC1(C)OC(=O)C(C)(C)OC1=O MOL30369
-COC(=O)C1CCC(=O)NCCCCC(NC(=O)OCc2ccccc2)C(=O)N1 MOL30370
-CNC(=O)C1CCCCNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)N1 MOL30371
-COC(=O)C1CCCCNC(=O)CCC(NC(=O)OCc2ccccc2)C(=O)N1 MOL30372
-COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C MOL30373
-CN1N=C(c2ccncc2)OC1c1ccccc1F MOL30374
-CN1N=C(c2ccncc2)OC1c1cccc(F)c1 MOL30375
-CN1N=C(c2ccncc2)OC1c1cccc(C(F)(F)F)c1 MOL30376
-CN1N=C(c2ccncc2)OC1c1ccc(C(F)(F)F)cc1 MOL30377
-CN1N=C(c2ccncc2)OC1c1ccc(Cl)cc1Cl MOL30378
-CN1N=C(c2ccncc2)OC1c1ccc(Cl)c(Cl)c1 MOL30379
-COc1ccc(C2OC(c3ccncc3)=NN2C)cc1OC MOL30380
-COc1ccc(C2OC(c3ccncc3)=NN2C)cc1F MOL30381
-CC12CCC3C(CCC4CC(CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC43C)C1CCC2CC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL30382
-CCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL30383
-CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc(OC)cc1 MOL30384
-COC(=O)Cc1c2c3n(c(=O)c1-n1[nH]c(=O)n(-c4ccc(Cl)cc4)c1=O)CCN3CCC2 MOL30385
-CSC(SC)=C(C(=O)c1ccc(Cl)cc1)n1c(=O)sc2cc(Br)ccc21 MOL30386
-CSc1cc(Br)ccc1-n1c(C(=O)c2ccccc2)c(SC)n(-c2ccccc2)c1=O MOL30387
-C(#Cc1ccccc1)SC1=C(c2ccccc2)SC(=C(SC#Cc2ccccc2)c2ccccc2)S1 MOL30388
-C#CCC(O)c1ccc(OC)c(OCc2ccccc2)c1 MOL30389
-CC1SCc2nc3ccccc3n21 MOL30390
-CC1(C)SCc2nc3ccccc3n21 MOL30391
-CCC1(CC)SCc2nc3ccccc3n21 MOL30392
-CC(C)C1SCc2nc3ccccc3n21 MOL30393
-Cc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL30394
-Cc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1 MOL30395
-Cc1cc2nc3n(c2cc1C)C(c1c(F)cccc1F)SC3 MOL30396
-CSC1=C(c2ccc(Cl)cc2)SC(N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 MOL30397
-O=C(CSc1nc(O)c2cn[nH]c2n1)c1ccc(Cl)cc1 MOL30398
-Cc1csc2nc3[nH]ncc3c(=O)n12 MOL30399
-O=c1c2cn[nH]c2nc2scc(-c3ccc(Cl)cc3)n12 MOL30400
-S=c1c2cn[nH]c2nc2scc(-c3ccc(Cl)cc3)n12 MOL30401
-Cc1csc2nc3c(cnn3C)c(=S)n12 MOL30402
-COc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(C)S2 MOL30403
-COc1cc2c(c([N+](=O)[O-])c1)NC(=O)C(c1ccccc1)S2 MOL30404
-COc1cc(N)c2c(c1)SC(C)C(=O)N2 MOL30405
-COc1cc2c3c(c1)nc(C)n3C(=O)C(C)S2 MOL30406
-COc1cc2c3c(c1)[nH]c(=S)n3C(=O)C(C)S2 MOL30407
-COc1cc2c3c(c1)SC(C)C(=O)N3CCN2 MOL30408
-O=C1CC(c2ccsc2)NC(=O)N1CCCl MOL30409
-O=C1CC(c2ccoc2)NC(=O)N1CCCl MOL30410
-O=C1CC(c2ccco2)NC(=O)N1CCCl MOL30411
-O=C1CC(c2ccccc2)NC(=O)N1CCN1CCOCC1 MOL30412
-O=C1CC(c2ccc(Cl)cc2)NC(=O)N1CCCl MOL30413
-O=C1CC(c2ccc(Cl)cc2)NC(=O)N1CCN1CCCC1 MOL30414
-CC1OC(C(C)(C)C)OC(=O)C1C(OC(=O)c1ccccc1)c1cccc2ccccc12 MOL30415
-CN(C)CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3 MOL30416
-CC[n+]1[b-](C(C)(C)C)n(N=C(C)C(C)(C)C)[b-](C(C)(C)C)[n+]1CC MOL30417
-CC[n+]1[b-](C(C)(C)C)n(N=CC(C)(C)C)[b-](C(C)(C)C)[n+]1CC MOL30418
-Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccc(Cl)cc21 MOL30419
-O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1coc2cc(F)ccc2c1=O MOL30420
-O=c1c(S(=O)(=O)Oc2ccccc2)coc2cc(F)ccc12 MOL30421
-COC(=O)Cc1cccc2c(=O)c(S(=O)(=O)NC(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)oc12 MOL30422
-COC(=O)CNC(=O)Nc1cc(N2C(=O)ON3C2C(C)(C)N(O)C3(C)C)ccc1C MOL30423
-CN1CC(c2ccccc2)=CC2=C1C=CC(=N)C2=NN MOL30424
-CC(=O)C=C(C=NO)c1ccccc1 MOL30425
-CC(CC(O)(C=NO)c1ccccc1)=NO MOL30426
-CC1=CC(O)(c2ccccc2)C(N2CCOCC2)N1O MOL30427
-CC1(N2CCOCC2)CC2C(=NO)CCCC2=[N+]1[O-] MOL30428
-[O-][N+]1=C2CCCC(=NO)C2(O)C2CCCCC21N1CCOCC1 MOL30429
-CC1=NOC2(C1)C(=NO)CCCC2=NO MOL30430
-Cc1cc2c(nn1)CCc1c-2no[n+]1[O-] MOL30431
-Oc1c(N2CCOCC2)cc(-c2cc(N3CCOCC3)c(O)c3ccccc23)c2ccccc12 MOL30432
-CC1(C)[N+]([O-])=[N+]([O-])C1(C)Br MOL30433
-CCCS(=O)OC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21 MOL30434
-OCC1N=C(c2cccs2)OC1c1ccccc1 MOL30435
-c1ccc(CC2COC(c3cccs3)=N2)cc1 MOL30436
-O=C(NC(=Cc1ccc(Cl)cc1)c1nc2ccccc2c(=O)n1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 MOL30437
-Cl.c1ccc2c(CN3CCC(C4CCN(Cc5cccc6ccccc56)CC4)CC3)cccc2c1 MOL30438
-C(=NCCCN1CCN(CCCN=Cc2cccc3ccccc23)CC1)c1cccc2ccccc12 MOL30439
-Cl.N=c1c2ccccc2nc2oc3ccc(Cl)cc3n12 MOL30440
-Cl.N=c1c2ccccc2nc2oc3cc([N+](=O)[O-])ccc3n12 MOL30441
-Cc1cc(=O)oc2c3c(ccc12)OC(c1ccc(Br)cc1)CC3=O MOL30442
-NC(Cc1ccc(B(O)O)cc1)C(=O)NC(CO)CO MOL30443
-Nc1ncnc2c1ncn2C1OC(C(O)CO)C(O)C1O MOL30444
-Oc1ccc(Oc2cc3c4nc(nc5nc(nc6nc(nc7nc(n4)c4cc(Oc8ccc(O)cc8)c(Oc8ccc(O)cc8)cc74)c4cc(Oc7ccc(O)cc7)c(Oc7ccc(O)cc7)cc64)c4cc(Oc6ccc(O)cc6)c(Oc6ccc(O)cc6)cc54)c3cc2Oc2ccc(O)cc2)cc1 MOL30445
-Cl.O=C1NCCCNCCCNCCCNC(=O)c2cccc1n2 MOL30446
-Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OC2CCC3CC=CC32)cc1 MOL30447
-Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OC2CCC3CC=CC32)cc1 MOL30448
-O=C(CN(C(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)OC12CC3CC(CC(C3)C1)C2)Oc1ccc([N+](=O)[O-])cc1 MOL30449
-CC(=O)OCC1OC=CC(OC(C)=O)C1OC1OC(COC(C)=O)C2OC(C)(C)OC2C1OC(C)=O MOL30450
-OCC(O)C1OC2CC1Nc1ccccc1N2 MOL30451
-OC1COC2CC(Nc3ccccn3)OC12 MOL30452
-COC(=O)C(O)C1(C(=O)OC)C2CCCCCCC(O)C1OC2OC MOL30453
-Cc1cc(C2CC(O)C(CO)O2)c(F)cc1F MOL30454
-Cc1cc(C)c(C2CC(O)C(CO)O2)cc1C MOL30455
-CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)cc2)c1.Cl MOL30456
-CCN(CCCl)c1cc(C[N+](C)(C)[O-])cc(NC(=O)c2ccc(C(=O)Nc3cc(C[N+](C)(C)[O-])cc(N(CC)CCCl)c3)cc2)c1 MOL30457
-C[N+](C)([O-])Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C[N+](C)(C)[O-])c3)cc2)c1 MOL30458
-Cl.O=[N+]([O-])c1ccc(C[N+]([O-])(CCCl)CCCl)cc1 MOL30459
-O=[N+]([O-])c1ccc(CN(CCCl)OCCCl)cc1 MOL30460
-O=CC(O)C(O)C(O)C(O)C(=O)NCCCCCCCCCCCCNC(=O)C(O)C(O)C(O)C(O)C=O MOL30461
-COC1CCC2(C)C3CCC4C(=CC5C(C)(CO)C(=O)CCC45C)CC3(C)CCC2C1(C)C MOL30462
-CCOC(=O)c1[nH]c(-c2[nH]c(-c3[nH]c(-c4[nH]c(C(=O)OCC)c(C)c4C(=O)OCC)c(C(=O)OCC)c3C)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C MOL30463
-Cc1cn(C2OC(CO)C(CN=[N+]=[N-])C2O)c(=O)[nH]c1=O MOL30464
-Cc1cn(C2OC(CO)C(CN=[N+]=[N-])C2O)c(=O)[nH]c1=O MOL30465
-OCC1OC(c2scc3c(=S)[nH]cnc23)C(O)C1O MOL30466
-O=C1C(=Cc2ccccc2)CSCC1=Cc1ccccc1 MOL30467
-O=C1C(=Cc2cccc(Br)c2)CSCC1=Cc1cccc(Br)c1 MOL30468
-CC(C)c1ccc(C=C2CSCC(=Cc3ccc(C(C)C)cc3)C2=O)cc1 MOL30469
-O=C1C(=Cc2ccc(Cl)cc2)CSCC1=Cc1ccc(Cl)cc1 MOL30470
-COc1ccc(C=C2CSCC(=Cc3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC MOL30471
-S=C1NC2=C(CSCC2=Cc2ccccc2)C(c2ccccc2)N1 MOL30472
-S=C1NC2=C(CSCC2=Cc2cccc(Br)c2)C(c2cccc(Br)c2)N1 MOL30473
-CC(C)c1ccc(C=C2CSCC3=C2NC(=S)NC3c2ccc(C(C)C)cc2)cc1 MOL30474
-S=C1NC2=C(CSCC2=Cc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1 MOL30475
-COc1ccc(C=C2CSCC3=C2NC(=S)NC3c2ccc(OC)c(OC)c2OC)c(OC)c1OC MOL30476
-O=C1CSC2=NC3=C(CSCC3=Cc3ccccc3)C(c3ccccc3)N12 MOL30477
-CC(C)c1ccc(C=C2CSCC3=C2N=C2SCC(=O)N2C3c2ccc(C(C)C)cc2)cc1 MOL30478
-O=C1CSC2=NC3=C(CSCC3=Cc3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N12 MOL30479
-C=CCCCN1C(=O)C2C3c4ccccc4C(C=O)(c4ccccc43)C2C1=O MOL30480
-CC(C)(CO)NC(=O)c1cccs1 MOL30481
-CC1(C)COC(c2cccc(C(=O)c3ccccc3)c2)=N1 MOL30482
-CC1(C)COC(c2ccccc2Br)=N1.Cl MOL30483
-CCOP(=O)(OCC)C(C)(C)N(C)C(F)=NC(F)(F)F MOL30484
-CN=C(N=C1N(C)C(C)(C)P(=O)(O)N1C)NC MOL30485
-CC(C)(C)NC(=N)NC#N MOL30486
-Cc1ccccc1NC(=N)NC#N MOL30487
-COP(=O)(OC)C(C)(C)NC(=O)NC(F)(F)F MOL30488
-CCOP(=O)(OCC)C(C)(CC)NC(=N)NC#N MOL30489
-CCOP(=O)(OCC)C(C)(CC)NC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N1 MOL30490
-CCOC(=O)N(C)C(=C(F)F)C(F)(F)F MOL30491
-CC(C)(C)NC1=NC(=O)NC(C(F)(F)F)(C(F)(F)F)N1 MOL30492
-O=C1N=C(Nc2ccccc2)NC(C(F)(F)F)(C(F)(F)F)N1 MOL30493
-CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C MOL30494
-CCOP1(=O)N=C(NC#N)N(C)C1(C)C MOL30495
-CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC2=NP(=O)(OCC)C(C)(C)N2C)O1 MOL30496
-CCOP1(=O)N=C(NC2=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O2)N(C)C1(C)C MOL30497
-CCOP1(=O)N=C(NC2=NC(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)O2)N(C)C1(C)C MOL30498
-NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1 MOL30499
-NC(C(F)(F)F)(C(F)(F)F)P(=O)(Cc1ccccc1)Cc1ccccc1 MOL30500
-CC(C)COP(C)(=O)C(N)(C(F)(F)F)C(F)(F)F MOL30501
-O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(Cc1ccccc1)Cc1ccccc1)C(C(F)(F)F)C(F)(F)F MOL30502
-CCOP(=O)(OCC)C(C)(CC)NC(=O)C(C(F)(F)F)C(F)(F)F MOL30503
-CCOP(=O)(OCC)C(NC(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1 MOL30504
-CCOP(=O)(OCC)C(C)(CC)N=C(NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1)NC(NC(C)=O)(C(F)(F)F)C(F)(F)F MOL30505
-O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(C(F)(F)F)C(F)(F)F MOL30506
-CCOP(=O)(OCC)C(C)(CC)NC(=O)C(C(F)(F)F)C(F)(F)F MOL30507
-CCOP(=O)(OCC)C(C)(C)OC(=O)NC(F)(F)F MOL30508
-CCOP(=O)(OCC)C(C)(C)OC(=O)NC#N MOL30509
-O=C(Nc1ccc(S(=O)(=O)N=c2ncccn2C(=O)C(C(F)(F)F)C(F)(F)F)cc1)C(C(F)(F)F)C(F)(F)F MOL30510
-CCOC(=O)NC(C(=O)OCC)C(F)(F)F MOL30511
-CC(C)N(C(F)=NC(=O)Nc1ccccc1C(F)(F)F)C(C)C MOL30512
-CCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 MOL30513
-O=C(OCC12COP(=O)(OC1)OC2)C(C(F)(F)F)C(F)(F)F MOL30514
-OCCN=C1c2ccccc2C2C(c3ccccc31)C1c3ccccc3C(=NCCO)c3ccccc3C21 MOL30515
-CC(C)NC(=O)OCCN=C1c2ccccc2CCc2ccccc21 MOL30516
-O=C(Nc1ccccc1)OCCN=C1c2ccccc2CCc2ccccc21 MOL30517
-CCCCNC(=O)OCCN=c1c2ccccc2ccc2ccccc12 MOL30518
-CC(C)NC(=O)OCCN=c1c2ccccc2ccc2ccccc12 MOL30519
-O=C(Nc1ccccc1)OCCN=c1c2ccccc2ccc2ccccc12 MOL30520
-CCCCNC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c2ccccc21 MOL30521
-CC(C)NC(=O)OCCN=C1c2ccccc2C(Br)C(Br)c2ccccc21 MOL30522
-O=C(Nc1ccccc1)OCCN=C1c2ccccc2C(Br)C(Br)c2ccccc21 MOL30523
-O=C(OCCN=C1c2ccccc2CCc2ccccc21)c1ccccc1 MOL30524
-O=C(OCCN=C1c2ccccc2CCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL30525
-O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccccc1 MOL30526
-O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 MOL30527
-O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL30528
-O=C(ON=c1c2ccccc2ccc2ccccc12)c1ccccc1 MOL30529
-O=C(ON=c1c2ccccc2ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL30530
-O=C(ON=C1c2ccccc2C(Br)C(Br)c2ccccc21)c1ccccc1 MOL30531
-O=C(ON=C1c2ccccc2C(Br)C(Br)c2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 MOL30532
-CCOC(=O)CON=c1c2ccccc2ccc2ccccc12 MOL30533
-CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(Br)C1 MOL30534
-[N-]=[N+]=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL30535
-O=C(O)c1ccccc1C(=O)OC1CC2CCC1C2 MOL30536
-CC1(C)CC2C1CCC1(C)CC2(O)CCC1O MOL30537
-CC12CCC3C(CC3(C)C)C(O)(CCC1=O)C2 MOL30538
-O=C(O)C12CCC(CC1=O)C2 MOL30539
-Cl.NC12CCC(CC1=O)C2 MOL30540
-CC12CCC(CC1(Cl)Cl)C2 MOL30541
-CC1(C)C(=O)C2(C(=O)O)CCC1C2 MOL30542
-COc1ccc(CC2(O)C3CC4CCC2C4C3)cc1 MOL30543
-CC12CCCC3(CC(O)C(C)(C)C3C(O)C1)C2 MOL30544
-CC12CCCC3(CC(OC(=O)c4ccccc4)C(C)(C)C3C(O)C1)C2 MOL30545
-CC(=O)NN=C1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1(C)C MOL30546
-CC1(C)CC2C(C1=NO)C1(C)CCCC2(C)C1O MOL30547
-CC1(C)CC2C(C1=O)C1(C)CCCC2(C)C1=O MOL30548
-CC12CCCC(C(=O)O)(C1)C(C(C)(C)C(=O)O)CC2 MOL30549
-C=C1CCC([N+](=O)[O-])C(C)(N=O)CCC2C1CC2(C)C MOL30550
-O=S(=O)(NN=C1CC2CCC1C2)c1ccccc1 MOL30551
-COC1(CCO)CC=CCC1(CCO)OC MOL30552
-[I-].c1ccc([P+](CCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL30553
-[Br-].c1ccc([P+](CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL30554
-CC12C(=O)CC(CC1=O)C2(C)C MOL30555
-Cc1ccc(S(=O)(=O)NN=C2C3C(CC2(C)C)C2(C)CCCC3(C)C2O)cc1 MOL30556
-Cc1ccc(S(=O)(=O)NN=C2CCC3(O)CC2(C)CCC2C3CC2(C)C)cc1 MOL30557
-CC12CCCC3(CC(=O)C(C)(C)C3C(=O)C1)C2 MOL30558
-Br.CN1C(C)(C)C(Br)C(=O)C(Br)C1(C)C MOL30559
-Br.CN1C(C)(C)CC(=O)C(Br)C1(C)C MOL30560
-Cc1ccc(S(=O)(=O)NN=C2C3CCC(C3)C2c2ccccc2)cc1 MOL30561
-CN(C)CC1CCCCCCCCCCC1=O MOL30562
-OCC1CCCCCCCCCCC12SCCCS2 MOL30563
-CC1(C)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C2CCC1C2 MOL30564
-CC12CCC(CC1=NNC(N)=O)C2(C)C MOL30565
-O=[N+]([O-])c1ccc(NN=C2C=CCCC2)c([N+](=O)[O-])c1 MOL30566
-CC1(C)C(=NNC(N)=O)C2CCC1C2 MOL30567
-CC(=O)Oc1c(C)cc(-c2cc(C)c(OC(C)=O)c(C)c2)cc1C MOL30568
-Cc1cc(C)c(OC(=O)Nc2cccc3ccccc23)c(-c2ccccc2)c1 MOL30569
-O=C1CC2CCC(C1)S2 MOL30570
-OC1CC2CCC(C1)S2 MOL30571
-OC1CC2CCC(C1)S2 MOL30572
-O=C1CC2CCC(C1)S2=O MOL30573
-CN1C2CCC1CC(C)(O)C2 MOL30574
-CN1C2CC(=O)CC1C(O)C2O MOL30575
-CN1C2CC(=O)CC1C1OC(c3ccccc3)OC12 MOL30576
-C=C1CC2CC(OS(=O)(=O)c3ccc(C)cc3)C(C1)N2C MOL30577
-CC(C)CCCC(C)C1CCC2C3CCC4CC(NS(C)(=O)=O)CCC4(C)C3CCC12C MOL30578
-COc1ccc2c(C)c(Oc3c(Cl)c(Cl)c(O)c(C#N)c3C#N)oc2c1 MOL30579
-CCCCC1(c2sccc2C(O)(C(F)F)C(F)(F)F)NC(C)(C)CO1 MOL30580
-CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2OC1OC(C)C(OC(=O)C(C)CC)C(OC2OC(C)C(O)C(O)C2O)C1OC(=O)C(C)CC MOL30581
-CC(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C MOL30582
-CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O MOL30583
-CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.Cl MOL30584
-Cc1ccc(CC2(OCCN(C)C)CCC(C(C)(C)C)CC2)cc1.O=C(O)C=CC(=O)O MOL30585
-CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O MOL30586
-CN(C)CCOC1(CC2CCCCC2)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O MOL30587
-CN(C)CCOC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)(C)C)CC1.O=C(O)C=CC(=O)O MOL30588
-Cc1ccc(CC2(OCCN(C)C)CCC(C(C)(C)C)CC2)cc1.O=C(O)C=CC(=O)O MOL30589
-Cc1cc2c3ccccc3[nH]c2c2ccnc(C)c12 MOL30590
-Cc1cc2c3c([nH]c2c2ccnc(C)c12)CCCC3 MOL30591
-CC1(OCCCOC2(C)C(=O)N3C2N(C(=O)OCc2ccccc2)CC3(C)C)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C MOL30592
-CC1(OCCCOC2(C)C(=O)N3C2N(C(=O)OCc2ccccc2)CC3(C)C)C(=O)N2C1N(C(=O)OCc1ccccc1)CC2(C)C MOL30593
-CC1(C)CNCC(C)(OCCCOC2(C)CNCC(C)(C)NC2=O)C(=O)N1 MOL30594
-CC1(C)CNCC2(C)OCCCOC3(C)CNCC(C)(C)NC(=O)C(C)(CNCC(C)(C)NC3=O)OCCCOC(C)(CNCC(C)(C)NC2=O)C(=O)N1 MOL30595
-CC1(C)CNCC(C)(OCc2ccccc2)N1 MOL30596
-N#CC(N)=C(C#N)NC=N MOL30597
-N#CC(N)=C(C#N)N=CNCc1ccccc1 MOL30598
-COc1ccc(CNC=NC(C#N)=C(N)C#N)cc1OC MOL30599
-N#CC(N)=C(C#N)N=CNCCO MOL30600
-CC(=O)NNC=NC(C#N)=C(N)C#N MOL30601
-N#CC(N)=C(C#N)N=CNc1ccccc1N MOL30602
-N#CC(N)=C(C#N)N=CNc1ccc(N)cc1 MOL30603
-CC(=O)Nn1cnc(C(=N)C#N)c1N MOL30604
-Cc1ccc(-n2cnc(C(=N)C#N)c2N)cc1 MOL30605
-N#CC(=N)c1ncn(-c2ccccc2N)c1N MOL30606
-N#CC(=N)c1ncn(-c2ccc(N)cc2)c1N MOL30607
-N#Cc1ncn(CCO)c1N MOL30608
-N#Cc1ncn(-c2ccccc2)c1N MOL30609
-CC(=O)Nc1c(C(=N)C#N)ncn1CCO MOL30610
-N#CC(=N)c1ncn(CCO)c1NC(=O)C(F)(F)F MOL30611
-COC(=N)c1ncn(Cc2ccccc2)c1N MOL30612
-NC(=O)C(=O)c1ncn(Cc2ccccc2)c1N MOL30613
-CC1(C)N=c2nc[nH]c2=C(C(N)=O)N1 MOL30614
-CC1(c2ccccc2)N=c2nc[nH]c2=C(C(N)=O)N1 MOL30615
-CC1(C)N=c2c(ncn2Cc2ccccc2)=C(C(N)=O)N1 MOL30616
-CC1(C)N=c2c(ncn2CCO)=C(C(N)=O)N1 MOL30617
-CC1(C)N=c2c(ncn2CCCO)=C(C(N)=O)N1 MOL30618
-CC1(C)N=c2c(ncn2-c2ccccc2)=C(C(N)=O)N1 MOL30619
-COc1ccccc1-n1cnc2c1=NC(C)(C)NC=2C(N)=O MOL30620
-COc1ccc(-n2cnc3c2=NC(C)(C)NC=3C(N)=O)c(OC)c1 MOL30621
-CC1(C)N=c2c(ncn2N)=C(C(N)=O)N1 MOL30622
-CCC1(C)N=c2c(ncn2N=C(C)C)=C(C(N)=O)N1 MOL30623
-COc1nc(C)nc2c1ncn2Cc1ccccc1 MOL30624
-Cc1nc(O)c2ncn(CCO)c2n1 MOL30625
-Cc1nc(OCc2ccccc2)c2ncn(CCO)c2n1 MOL30626
-CC1=Nc2c(C#N)ncn2N=C(C)C1 MOL30627
-Oc1ccc(Cl)cc1-c1nc(S)nc(-c2ccccc2)c1Cl MOL30628
-Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)nc(S)n1 MOL30629
-CCN(CC)CCOCCn1c2c(c3ccccc31)CCCC2 MOL30630
-CN(C)CCCOCCn1c2c(c3ccccc31)CCCC2 MOL30631
-c1ccc2c(c1)c1c(n2CCOCCN2CCCC2)CCCC1 MOL30632
-c1ccc2c(c1)c1c(n2CCOCCN2CCCCC2)CCCC1 MOL30633
-O=C1CCCc2cc3c(cc21)CC1(C3)Cc2cc3c(cc2C1)C(=O)CCC3 MOL30634
-O=C1CCCc2cc3c(cc21)CC1(C3)Cc2ccc3c(c2C1)C(=O)CCC3 MOL30635
-CCc1cc2c(c3c1CCCC3=O)CC1(Cc3ccc(C(=O)OC)cc3C1)C2 MOL30636
-CCc1cc2c(c3c1CCCC3=O)CC1(C2)Cc2cc(CC)c3c(c2C1)C(=O)CCC3 MOL30637
-CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCCC4)CCCC2.CC(N)c1ccccc1 MOL30638
-CCc1cc2c(cc1CCCC(=O)O)CC1(Cc3ccc(C(=O)O)cc3C1)C2 MOL30639
-CCOC(=O)C(C#N)=Cc1ccc2c(c1)CC1(C2)Cc2cc(CC)c(C(C)O)cc2C1 MOL30640
-CCc1cc2c(cc1C(=O)CCC(=O)O)CC1(C2)Cc2cc(CC)c(C(=O)CCC(=O)O)cc2C1 MOL30641
-Cc1cc2c(cc1C(=O)CCC(=O)O)CC1(C2)Cc2cc(C)c(C(=O)CCC(=O)O)cc2C1 MOL30642
-O=C(O)c1ccccc1CC(Cc1ccc2c(c1)CCC2)C(=O)O MOL30643
-COC(=O)c1ccccc1CC(Cc1ccc2c(c1)CCC2)C(=O)OC MOL30644
-COC(=O)c1ccccc1CC1Cc2cc3c(cc2C1)CCC3 MOL30645
-COC(=O)c1cc(CC2Cc3cc4c(cc3C2)CCC4)cc2c1CCC2 MOL30646
-COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1)CCC4)CCC2 MOL30647
-O=C1c2cc3c(cc2CC12Cc1ccccc1C2)CCC3 MOL30648
-O=C1c2c(ccc3c2CCC3)CC12Cc1ccccc1C2 MOL30649
-O=C1c2ccccc2CC12Cc1cc3c(cc1C2)CCC3 MOL30650
-O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2)CCC4)CCC3 MOL30651
-O=C1c2c(ccc3c2CCC3)CC12Cc1cc3c(cc1C2)CCC3 MOL30652
-O=C1c2c(ccc3c2CCCC3)CC12Cc1ccccc1C2 MOL30653
-Cc1ccc2c(c1)CC1(C2)Cc2ccc(C)cc2C1=O MOL30654
-Cc1cccc2c1CC1(C2)Cc2c(C)cccc2C1=O MOL30655
-OC1c2ccccc2CC12Cc1ccccc1C2 MOL30656
-COC(=O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O MOL30657
-COC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1=O)C3)CCC2 MOL30658
-CC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1=O)C3)CCC2 MOL30659
-CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3 MOL30660
-COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3 MOL30661
-COC(O)C(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3 MOL30662
-CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 MOL30663
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 MOL30664
-COC(O)C(=O)c1c2c(cc3c1CCC3)CCCC2 MOL30665
-O=C1c2cc3c(cc2CC1Br)CCC3 MOL30666
-COC(=O)c1c2c(cc3c1CCC3)CCC2 MOL30667
-CC(=O)c1c2c(cc3c1CCC3)CCC2 MOL30668
-COC(O)C(=O)c1c2c(cc3c1CCC3)CCC2 MOL30669
-ON=Cc1c2c(cc3c1CCC3)CCC2 MOL30670
-COC(=O)C1Cc2ccc(C)cc2C1=O MOL30671
-COC(=O)C1Cc2cc3c(cc2C1=O)CCC3 MOL30672
-COC(=O)C1Cc2cc3c(cc2C1=O)CCCC3 MOL30673
-COC(=O)C1Cc2ccc3c(c2C1=O)CCCC3 MOL30674
-CCOC(=O)C1Cc2ccc(C)cc2C1=O MOL30675
-CCOC(=O)C1(Cc2ccccc2)Cc2ccccc2C1=O MOL30676
-COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1=O MOL30677
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O MOL30678
-CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 MOL30679
-CCOC(=O)C1(Cc2ccc(C)cc2)Cc2ccc(C)cc2C1=O MOL30680
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1O MOL30681
-O=C1OC(C2Cc3cc4c(cc3C2=O)CCC4)c2ccccc21 MOL30682
-O=C1OC(C2Cc3ccc4c(c3C2=O)CCCC4)c2ccccc21 MOL30683
-O=C(O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 MOL30684
-COC(=O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 MOL30685
-CC(=O)c1cc(CC2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 MOL30686
-COC(=O)c1cc2c(cc1CC1Cc3cc4c(cc3C1=O)CCC4)CCC2 MOL30687
-COC(=O)c1ccccc1CC1Cc2cc3c(cc2C1=O)CCC3 MOL30688
-COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCCC3 MOL30689
-COC(=O)c1ccc(C)cc1CC1Cc2cc(C)ccc2C1=O MOL30690
-COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1 MOL30691
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1 MOL30692
-CCOC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3 MOL30693
-CCOC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 MOL30694
-Cc1ccc(CC2(C(=O)O)Cc3ccc(C)cc3C2)cc1 MOL30695
-COC(=O)c1ccccc1C=C1Cc2cc3c(cc2C1=O)CCC3 MOL30696
-COC(=O)c1cc(C=C2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 MOL30697
-COC(=O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCCC3 MOL30698
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC1CCCCC1)C(N)=O MOL30699
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccccc1)C(N)=O MOL30700
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 MOL30701
-C=CCC(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=O MOL30702
-COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(N)=O MOL30703
-COCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccc(OC)cc1)C(=O)OC MOL30704
-COCCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(=O)OC MOL30705
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CCOCc1ccccc1)C(N)=O MOL30706
-COC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C MOL30707
-COC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C MOL30708
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 MOL30709
-COC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C MOL30710
-CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL30711
-CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 MOL30712
-Nc1nc(SC2CCCCC2)nc2c1ncn2C1OC(CO)C(O)C1O MOL30713
-C=CCN1CC2CON(C(=O)C(OC)(c3ccccc3)C(F)(F)F)C2C1C(C)C MOL30714
-CSC1=C(c2ccc(C)cc2)N(c2ccccc2)C(=O)C(=O)N(c2ccccc2)C(c2ccc(C)cc2)=C(SC)SS1 MOL30715
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3=O MOL30716
-CCC(NC(=O)OC(C)(C)C)C(=O)NCP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 MOL30717
-CC(NC(=O)C(N)CCC(=O)O)C(=O)NCP(=O)(O)O MOL30718
-CCCCCC[n+]1noc(N)c1-c1ccc(-c2c(N)on[n+]2CCCCCC)cc1.[Cl-] MOL30719
-OC1CCC(O)C2C3SC(c4ccccc43)C12 MOL30720
-CC(=O)OC1C=CC(OC(C)=O)C2C1C1C3C=CC=CC3C2S1=O MOL30721
-CC(=O)OC1CCC(OC(C)=O)C2C3SC(c4ccccc43)C12 MOL30722
-N#Cc1cc2c(N)ncnc2nc1N1CCCC1 MOL30723
-CCOC(=O)NN(C(=O)OCC)c1ccc(N=Nc2ccc(OC)cc2)n1C MOL30724
-O=C1CCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3 MOL30725
-O=C1CCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3 MOL30726
-O=C1CCCc2cc3c(cc21)CC1(Cc2ccccc2C1)C3 MOL30727
-O=C1CCCc2ccc3c(c21)CC1(Cc2ccccc2C1)C3 MOL30728
-CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3 MOL30729
-CCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)C(=O)CC3 MOL30730
-COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCCC3=O MOL30731
-O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3 MOL30732
-COC(=O)CCCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCCC3 MOL30733
-CCc1cc2c(c3c1CCC3=O)CC1(Cc3ccc(C)cc3C1)C2 MOL30734
-O=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30735
-COC(=O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30736
-O=C(O)C=Cc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30737
-O=C(O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30738
-COC(=O)CCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30739
-COC(=O)CCC(=O)c1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30740
-COC(=O)CCCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL30741
-O=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=O)cc2C1 MOL30742
-COC(=O)C=Cc1ccc2c(c1)CC1(C2)Cc2ccc(C=CC(=O)OC)cc2C1 MOL30743
-COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc(CCC(=O)OC)cc2C1 MOL30744
-COC(=O)CCC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc(C(=O)CCC(=O)OC)cc2C1 MOL30745
-OCc1ccc2c(c1)CC1(Cc3ccc(C=NO)cc3C1)C2 MOL30746
-CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2 MOL30747
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2 MOL30748
-CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)C(=O)CCC5)C3)CCCC2 MOL30749
-CC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCCC4)CCCC2 MOL30750
-O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCCC4)CCCC2 MOL30751
-COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 MOL30752
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C(C)=O)c4C1)CCCC5)C3)CCCC2 MOL30753
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCCC5)C3)CCCC2 MOL30754
-CCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 MOL30755
-O=C(O)CCCc1ccc2c(c1)CC1(C2)Cc2ccc(CCCC(=O)O)cc2C1 MOL30756
-COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCC4)CCC2 MOL30757
-O=Cc1c2c(cc3c1CC1(C3)Cc3cc4c(c(C=O)c3C1)CCC4)CCC2 MOL30758
-OCc1c2c(cc3c1CC1(C3)Cc3cc4c(c(CO)c3C1)CCC4)CCC2 MOL30759
-CC(O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)O)c3C1)CCC4)CCC2 MOL30760
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C)c4C1)CCC5)C3)CCC2 MOL30761
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(c(C=O)c4C1)CCC5)C3)CCC2 MOL30762
-CC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 MOL30763
-COC(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 MOL30764
-COC(O)C(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 MOL30765
-COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3 MOL30766
-O=C1c2ccccc2CC12Cc1cc3c(cc1C2=O)CCC3 MOL30767
-Cc1ccc2c(c1)C(=O)C1(C2)Cc2ccc(C)cc2C1=O MOL30768
-Cc1cccc2c1CC1(Cc3c(C)cccc3C1=O)C2=O MOL30769
-Cc1ccc2c(c1)CC1(Cc3cc(C)ccc3C1=O)C2=O MOL30770
-C=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCC3 MOL30771
-O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCC4)CCC3 MOL30772
-O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCCC3 MOL30773
-O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCC4)CCCC3 MOL30774
-O=C1c2cc3c(cc2CC12Cc1ccc4c(c1C2=O)CCCC4)CCCC3 MOL30775
-O=C1c2c(ccc3c2CCCC3)CC12Cc1ccc3c(c1C2=O)CCCC3 MOL30776
-CCOC(=O)C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)OCC MOL30777
-CCOC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2 MOL30778
-COC(=O)CCc1ccc(CCC(=O)OC)cc1 MOL30779
-COC(=O)CCc1ccc2c(c1)C(=O)CC2 MOL30780
-COC(=O)C=Cc1ccc2c(c1)CCC2 MOL30781
-COC(=O)CCc1ccc2c(c1)CCC2 MOL30782
-COC(=O)CCCc1ccc2c(c1)CCC2 MOL30783
-COC(=O)CCC(=O)c1ccc2c(c1)CCC2 MOL30784
-COC(=O)c1cc2c(c(C(=O)OC)c1)CCC2 MOL30785
-C#CCOc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2 MOL30786
-CCCCCCCCCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL30787
-CCCCCC=CCCCC=CCCCCCCOP(=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1.N MOL30788
-CC(C)CCCC(C)C1CCC2C3CCC4CC(OP(=O)(O)OCCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL30789
-COc1cc2c(c([N+](=O)[O-])c1)NCCS2 MOL30790
-COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CS2 MOL30791
-COc1cc(N)c2c(c1)SCC(=O)N2 MOL30792
-COc1cc(NC=O)c2c(c1)SCC(=O)N2 MOL30793
-COc1cc(NC(C)=O)c2c(c1)SCC(=O)N2 MOL30794
-COc1cc2c(c3[nH]cc(C(=O)O)c(=O)c13)NC(=O)CS2 MOL30795
-COc1cc2c3c(c1)ncn3C(=O)CS2 MOL30796
-COc1cc2c3c(c1)nc(C)n3C(=O)CS2 MOL30797
-COc1cc2c3c(c1)nnn3C(=O)CS2 MOL30798
-COc1cc2c3c(c1)SCC(=O)N3CCN2 MOL30799
-Cc1ccc(SCC(OCn2cnc3c(Cl)nc(N)nc32)C(C)F)cc1 MOL30800
-Cc1ccc(SCC(CF)OC(C)n2cnc3c(Cl)nc(N)nc32)cc1 MOL30801
-Cc1ccc(SCC(CF)OCn2cc(F)c(=O)[nH]c2=O)cc1 MOL30802
-Cc1ccc(SCC(OCn2cnc3c(N)ncnc32)C(C)F)cc1 MOL30803
-Cc1ccc(SCC(CF)OCn2cnc3c(N)ncnc32)cc1 MOL30804
-Cc1ccc(SCC(CF)OC(C)n2cnc3c(O)nc(N)nc32)cc1 MOL30805
-Cc1ccc(SCC(CF)OCn2cnc3c(O)nc(N)nc32)cc1 MOL30806
-Cc1ccc(S(=O)CC(CF)OCn2cc(C)c(=O)[nH]c2=O)cc1 MOL30807
-Cc1ccc(SCC(CSCCO)OCn2cnc3c2NC(=N)NC32OCCO2)cc1 MOL30808
-CC=COC1C(C2COC(C)(C)O2)OC2OC(C)(C)OC21 MOL30809
-Cc1c(C)n(-c2ccccc2)c2nc(S(C)(=O)=O)nc(S(C)(=O)=O)c12 MOL30810
-CC(c1ccccc1)n1c2ccccc2c2c(N)ncnc21 MOL30811
-COC(=O)C=C(C=C1C(C#N)=C(N)N(c2ccc(Cl)cc2)C1(C)C(=CC(=O)OC)C(=O)OC)C(=O)OC MOL30812
-COc1ccccc1N1CCN(Cn2c(=O)oc3cccnc32)CC1 MOL30813
-O=c1oc2cccnc2n1CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1 MOL30814
-O=C(O)C(=O)O.O=c1oc2cccnc2n1CCCCN1CCN(c2ccccc2)CC1 MOL30815
-Cc1ccc(C=C2C=C3OC(=O)c4cccc(c43)C2=O)cc1 MOL30816
-CCOC(=O)CNC(=O)C(C)NC(=O)C(NC(=O)CC(c1ncc[nH]1)c1ncc[nH]1)C(C)CC MOL30817
-Cc1ccc(-c2cc[n+]3c(n2)oc2ccccc23)cc1.[I-] MOL30818
-Cc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(C)cc4O)n3N)n2N)c(O)c1 MOL30819
-Cc1cccc(O)c1-c1nnc(CCCCCCCCc2nnc(-c3c(C)cccc3O)n2N)n1N MOL30820
-COc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(OC)cc4)n3N)n2N)cc1 MOL30821
-Nn1c(CCCCCCCCc2nnc(-c3c(O)ccc4ccccc34)n2N)nnc1-c1c(O)ccc2ccccc12 MOL30822
-CC(C)(C)C(=O)OC1C=CC(O)C2C3C=CC(C3)C12 MOL30823
-CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCN=C(NS(=O)(=O)c1ccc(Cl)cc1)SC MOL30824
-CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCCCNC(=NS(=O)(=O)c1ccc(Cl)cc1)SC MOL30825
-CSC(=NS(=O)(=O)c1ccc(Cl)cc1)NCCCNC(=NS(=O)(=O)c1ccc(Cl)cc1)SC MOL30826
-CC(=O)C(C)C(=O)N1C(=O)N(C)C2(C)N(C)C(=O)NC12C MOL30827
-CC1(C)OC2Cn3c(c(C#N)c4ccccc43)C2O1 MOL30828
-CCOC(=O)c1nc2ccccc2nc1Nc1cc(OC)c(OC)c(OC)c1 MOL30829
-CCOC(=O)c1nc2ccccc2nc1Nc1ccc(OC)c(OC)c1 MOL30830
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC MOL30831
-CCOC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1 MOL30832
-CCOC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1 MOL30833
-O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O MOL30834
-O=C(O)c1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1 MOL30835
-O=C1CCCCC1=Cc1ccc(Br)cc1 MOL30836
-O=C1CCCCC1=Cc1ccc([N+](=O)[O-])cc1 MOL30837
-Clc1ccc(C=Cc2nc3ccccc3s2)cc1Cl MOL30838
-CN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1=O.Cl MOL30839
-COc1ccc(C=C2CCCC(CN(C)C)C2=O)cc1.Cl MOL30840
-CN(C)CC1CCCC(=Cc2ccc(Cl)c(Cl)c2)C1=O.Cl MOL30841
-Cl.O=C1CCCC1CN1CCCC1 MOL30842
-Cl.O=C1CCCC1CN1CCOCC1 MOL30843
-Cl.O=C1CCCC1CN1CCCCC1 MOL30844
-CC1Cc2c(-c3cc(-c4cc(-c5c(O)cc(O)c6c5CC(C)NC6C)c5ccccc5c4O)c(O)c4ccccc34)c(O)cc(O)c2C(C)N1.O=C(O)C(F)(F)F MOL30845
-CC(C)N(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O MOL30846
-CC(C)[N+]([O-])(CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(C)C.CS(=O)(=O)O MOL30847
-CC(=O)C(N=Nc1ncn[nH]1)C(C)=O MOL30848
-CC(=O)C(N=Nc1nc2ccc(Cl)cc2[nH]1)C(C)=O MOL30849
-CC(=O)C(N=Nc1nccs1)C(C)=O MOL30850
-CC(=O)C(N=Nc1nc2ccccc2[nH]1)C(C)=O MOL30851
-COc1cc(C=CC=C2CCC(=CC=Cc3ccc(O)c(OC)c3)C2=O)ccc1O MOL30852
-S=C(NCc1ccccn1)NN=Cc1ccccn1 MOL30853
-S=C(NCCc1ccccn1)NN=Cc1ccccn1 MOL30854
-CN(CCc1ccccn1)C(=S)NN=Cc1ccccn1 MOL30855
-CCCNC(=S)NN=Cc1cccc(C)n1 MOL30856
-Cc1cccc(C=NNC(=S)NC2CCCCC2)n1 MOL30857
-CC(=NNC(=S)NC1CCCC1)c1ccccn1 MOL30858
-CCC(C)NC(=S)NN=C(C)c1ccccn1 MOL30859
-CCCCCCNC(=S)NN=C(C)c1ccccn1 MOL30860
-CC(C)(C)NC(=S)NN=Cc1ccccn1 MOL30861
-Cc1cccc(C=NNC(=S)NC(C)(C)C)n1 MOL30862
-CC(=NNC(=S)NC(C)(C)C)c1ccccn1 MOL30863
-O=C1C(=C(Br)I)c2ccccc2-c2ccccc21 MOL30864
-Cc1nn(-c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1Cl MOL30865
-O=[N+]([O-])c1ccc(Cl)cc1-n1nc(-c2ccccc2)cc1-c1ccccc1 MOL30866
-O=C(O)C=Cc1ccc(OS(=O)(=O)O)cc1.[KH] MOL30867
-COc1cc(C=CC(=O)O)ccc1OS(=O)(=O)O.[KH] MOL30868
-COc1cc(C(=O)O)ccc1OS(=O)(=O)O.[KH] MOL30869
-Oc1c(CN2CCOCC2)ccc2ccccc12 MOL30870
-Oc1c(CN2CCCCC2)ccc2ccccc12 MOL30871
-Oc1c(CN2CCCC2)ccc2ccccc12 MOL30872
-O=C(O)C1CCN1Cc1ccc2ccccc2c1O MOL30873
-OC(COc1ccc2ccccc2c1)COc1ccc2ccccc2c1 MOL30874
-Clc1ccc(-c2c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc2[nH]3)cc1 MOL30875
-CCCCCc1c2ccc(n2)c(CCCCC)c2ccc([nH]2)c(CCCCC)c2ccc(n2)c(CCCCC)c2ccc1[nH]2 MOL30876
-CCCCCCCCCCc1c2ccc(n2)c(CCCCCCCCCC)c2ccc([nH]2)c(CCCCCCCCCC)c2ccc(n2)c(CCCCCCCCCC)c2ccc1[nH]2 MOL30877
-ClCCCCCc1c2ccc(n2)c(CCCCCCl)c2ccc([nH]2)c(CCCCCCl)c2ccc(n2)c(CCCCCCl)c2ccc1[nH]2 MOL30878
-C[N+](C)(C)CCCCCc1c2ccc(n2)c(CCCCC[N+](C)(C)C)c2ccc([nH]2)c(CCCCC[N+](C)(C)C)c2ccc(n2)c(CCCCC[N+](C)(C)C)c2ccc1[nH]2.[Cl-] MOL30879
-CCOC(=O)C(SC#N)=C(N)N1CCCC1 MOL30880
-CCOC(=O)c1sc(=N)[nH]c1N1CCCC1 MOL30881
-N#Cc1c(N2CCCC2)nsc1NCc1ccccc1 MOL30882
-O=C1CC(CC(=O)c2ccc(Br)cc2)C(O)=C1C(=O)c1ccc(Br)cc1 MOL30883
-O=C1c2ccccc2C(=O)N1C(Cc1ccccc1)C(=O)n1cccc1CO MOL30884
-O=C(CCc1ccccc1)n1cccc1CO MOL30885
-CCC(C)OC(=O)C(Br)=C1OC(=O)c2ccccc2-c2ccccc21 MOL30886
-Cl.N=C(N)NN=Cc1c(Cl)nc2sccn12 MOL30887
-Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)cc2)nc2sccn12 MOL30888
-Cl.N=C(N)NN=Cc1c(Cl)nc2n1CCS2 MOL30889
-Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)cc2)nc2n1CCS2 MOL30890
-CCCCN1CC(OC(=O)CCC)C(OC(=O)CCC)C(OC(=O)CCC)C1COC(=O)CCC MOL30891
-CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C MOL30892
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(S(=O)(=O)O)c6cc(S(=O)(=O)O)ccc56)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)ccc34)n(C)c2)n(C)c1.[NaH] MOL30893
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(P(=O)(O)O)c6cccc(P(=O)(O)O)c6c5)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(P(=O)(O)O)c4cccc(P(=O)(O)O)c4c3)n(C)c2)n(C)c1.[NaH] MOL30894
-Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5ccc(P(=O)(O)O)c6cc(P(=O)(O)O)ccc56)n(C)c4)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(P(=O)(O)O)c4cc(P(=O)(O)O)ccc34)n(C)c2)n(C)c1.[NaH] MOL30895
-O=c1ccn(C2CC(F)C(CO)S2)c(=O)[nH]1 MOL30896
-N=c1ccn(C2CC(F)C(CO)S2)c(=O)[nH]1 MOL30897
-O=c1ccn(C2CC(F)C(CO)S2)c(=O)[nH]1 MOL30898
-N=c1ccn(C2CC(F)C(CO)S2)c(=O)[nH]1 MOL30899
-O=c1ccn(C2SC(CO)CC2F)c(=O)[nH]1 MOL30900
-N=c1ccn(C2SC(CO)CC2F)c(=O)[nH]1 MOL30901
-O=c1ccn(C2SC(CO)CC2F)c(=O)[nH]1 MOL30902
-N=c1ccn(C2SC(CO)CC2F)c(=O)[nH]1 MOL30903
-CN(CCc1ccccn1)C1=[S+][Cu-4]2([ClH+])([ClH+])[N+](=Cc3cccc[n+]32)[N-]1 MOL30904
-COC(=O)c1ccc2n1C1CC3CC(CC2C3)C1 MOL30905
-CCOC(=O)n1ccc2c(C(=O)OC)c(C(=O)OC)cc(C(=CC(=O)OC)C(=O)OC)c21 MOL30906
-COc1cc2c(cc1OC)NCc1ccccc1NCc1cc(OC)c(OC)cc1NCc1ccccc1NC2 MOL30907
-[N-]=[N+]=Nc1ccccc1C(=O)N1C(=O)c2ccccc2C(=O)N(C(=O)c2ccccc2N=[N+]=[N-])c2ccccc21 MOL30908
-COC(=O)C1=CON2C3CC4CC(C3)CC(C4)C12C MOL30909
-C[Sn]1(C)OC(=O)CCN=Cc2c(ccc3ccccc23)O[Sn](C)(C)OC(=O)CCN=Cc2c(ccc3ccccc23)O1 MOL30910
-O=C1Nc2ccccc2C1=NNC(=S)Nc1ccc([N+](=O)[O-])cc1 MOL30911
-O=C1Nc2ccccc2C1=NNC(=S)NCc1ccccn1 MOL30912
-COc1ccccc1NC(=S)NN=Cc1cccc(C)n1 MOL30913
-COc1ccc(NC(=S)NN=Cc2cccc(C)n2)cc1 MOL30914
-Cc1cccc(C=NNC(=S)Nc2ccc(Cl)cc2)n1 MOL30915
-S=C(NN=Cc1ccccn1)Nc1ccc(Cl)cc1 MOL30916
-Cc1cccc(C=NNC(=S)NCc2ccccn2)n1 MOL30917
-Cc1cccc(C=NNC(=S)NCCc2ccccn2)n1 MOL30918
-Cc1cccc(C=NNC(=S)N(C)CCc2ccccn2)n1 MOL30919
-S=C(NCc1ccccc1)NN=Cc1ccccn1 MOL30920
-COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O.COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O.O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)cc1 MOL30921
-[N-]=[N+]=NCC1OCOC(CN=[N+]=[N-])C(OCCOCCCl)C1OCCOCCCl MOL30922
-[N-]=[N+]=NCC1OCOC(CN=[N+]=[N-])C2OCCOCCOc3ccccc3OCCOCCOC12 MOL30923
-O=C1CCC2(c3ccc(Cl)cc3)SCCN12 MOL30924
-COc1ccc(C23CCC(=O)N2CCS3)cc1 MOL30925
-COC(=O)C=C(C(=O)OC)C1C(=O)Oc2c(C)c(=O)c3ccccc3n21 MOL30926
-Cn1c(=O)c2c(ncn2CCCCOc2ccc3c(c2)[n+]([O-])n[c-](N)[n+]3=O)n(C)c1=O MOL30927
-CC(=O)OCC1CCC(=C2C(=O)OC(C)(C)OC2=O)N1 MOL30928
-CCOC(=O)c1c(-c2ccccc2)nc2c(OC)nccn12 MOL30929
-CCOC(=O)CCc1cn2cc(Br)nc(OC)c2n1 MOL30930
-CC1CC(C#N)=C2NCCN2C1=O MOL30931
-CC1CC(=O)N2CCCNC2=C1C#N MOL30932
-CC1CC(C#N)=C2NCCCCN2C1=O MOL30933
-COc1cc2c(c(OC)c1OC)C(=O)C(Br)C2NC(=O)CCCCl MOL30934
-COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(=O)CCCCl MOL30935
-COc1cc2c(c(OC)c1OC)C(=O)C(O)C2NC(=O)CCCCl MOL30936
-COc1cc2c(c(OC)c1OC)C(=O)C(OC(=O)CCCCl)C2N.Cl MOL30937
-Cl.NC1c2c(Br)sc(Br)c2C(=O)C1Br MOL30938
-O=C1NC2c3c(Br)sc(Br)c3C(=O)C2O1 MOL30939
-Cl.NC1c2c(Br)sc(Br)c2C(O)C1O MOL30940
-CCC1ON(C)C2CN(C)C(=O)C12 MOL30941
-CN1CC2C(C1=O)C(c1ccccc1)ON2C MOL30942
-CN1CC2C(C1=O)C(c1ccc([N+](=O)[O-])cc1)ON2C MOL30943
-COc1ccc(C2ON(C)C3CN(C)C(=O)C23)cc1 MOL30944
-COc1ccc(NC(=S)NN=C2C(=O)Nc3ccccc32)cc1 MOL30945
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCOCCCCCCCCN=[N+]=[N-])O2)c(=O)[nH]c1=O MOL30946
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)CCOCCCCCCCCCl)O2)c(=O)[nH]c1=O MOL30947
-O=C(O)CCOCCCCCCCCCl MOL30948
-N#CCSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL30949
-CC(=O)CSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL30950
-CCOC(=O)CC(=O)CSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL30951
-O=c1c(-c2ccccc2)c(SCCO)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL30952
-CCOC(=O)c1c(SCC#N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30953
-CCOC(=O)CSc1c(C(=O)OCC)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL30954
-CCOC(=O)c1c(SCCO)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30955
-CC(C)(Oc1ccccc1)C(=O)Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL30956
-O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccccc1 MOL30957
-COc1ccc(C(=O)Sc2c(-c3ccccc3)c(=O)n(-c3ccccc3)c(=S)n2-c2ccccc2)cc1 MOL30958
-O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccc(Cl)cc1 MOL30959
-O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1cccs1 MOL30960
-O=C(Sc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1)c1ccco1 MOL30961
-CCOC(=O)c1c(SC(=O)C=Cc2ccccc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30962
-CCOC(=O)c1c(SC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30963
-CCOC(=O)c1c(SC(=O)c2ccc(OC)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30964
-CCOC(=O)c1c(SC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30965
-CCOC(=O)c1c(SC(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30966
-CCOC(=O)c1c(SC(=O)c2cc(OC)c(OC)c(OC)c2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL30967
-c1ccc(N=C(Nc2ccccc2)N2CCCC2)cc1 MOL30968
-c1ccc(N=C(N2CCCC2)N(CCN2CCCC2)c2ccccc2)cc1 MOL30969
-CN(C)CCN(C(=Nc1ccccc1)N1CCCC1)c1ccccc1 MOL30970
-c1ccc(N=C(Nc2ccccc2)N2CCCCC2)cc1 MOL30971
-c1ccc(N=C(N2CCCCC2)N(CCN2CCCCC2)c2ccccc2)cc1 MOL30972
-CCN(CC)CCN(C(=Nc1ccccc1)N1CCCCC1)c1ccccc1 MOL30973
-c1ccc(N=C(N2CCOCC2)N(CCN2CCOCC2)c2ccccc2)cc1 MOL30974
-CCN(CC)CCN(C(=Nc1ccccc1)N1CCOCC1)c1ccccc1 MOL30975
-NCCNC(=Nc1ccccc1)Nc1ccccc1 MOL30976
-N#Cc1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30977
-N#Cc1sc2c(c1OC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30978
-N#Cc1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30979
-COc1ccc(C(=O)Oc2c(C#N)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc1 MOL30980
-COc1cc(C(=O)Oc2c(C#N)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc(OC)c1OC MOL30981
-N#Cc1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30982
-N#Cc1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30983
-N#Cc1sc2c(c1OC(=O)c1ccc(C(F)(F)F)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30984
-CC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30985
-CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30986
-CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30987
-COc1cc(C(=O)Oc2c(C(C)=O)sc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc(OC)c1OC MOL30988
-CC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30989
-CC(=O)c1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30990
-CCOC(=O)c1sc2c(c1OC(=O)c1ccccc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30991
-CCOC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30992
-CCOC(=O)c1sc2c(c1OC(=O)c1ccc(OC)cc1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30993
-CCOC(=O)c1sc2c(c1OC(=O)c1cc(OC)c(OC)c(OC)c1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30994
-CCOC(=O)c1sc2c(c1OC(=O)c1ccco1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30995
-CCOC(=O)c1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 MOL30996
-COC(=O)C(C#N)=C(Nc1ccccc1)N1CCCC1 MOL30997
-COC(=O)C(C#N)=C(Nc1ccccc1)N1CCCCC1 MOL30998
-COC(=O)C(C#N)=C(Nc1ccccc1)N1CCOCC1 MOL30999
-COC(=O)C(C#N)=C(NCCN)Nc1ccccc1 MOL31000
-COC(=O)C(C#N)=C(NCc1ccccc1)Nc1ccccc1 MOL31001
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL31002
-NCCCN(CCCN)CCN(CCN(CCCN)CCCN)CCN(CCCN)CCCN MOL31003
-N#CCCN(CCC#N)CCN(CCN(CCC#N)CCC#N)CCN(CCC#N)CCC#N MOL31004
-CCP(=O)(CC)C(Cl)Cl MOL31005
-C=CCP(=O)(CC=C)C(Cl)Cl MOL31006
-CCP(=O)(CC)C(Cl)(Cl)C(=O)NC MOL31007
-CCP(=O)(CC)C(Cl)(Cl)C(O)C(Cl)(Cl)Cl MOL31008
-CCP(=O)(CC)C(Cl)(Cl)C(O)C(C)(C)C MOL31009
-CCP(=S)(CC)CCl MOL31010
-COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=NCCNCCN=C2 MOL31011
-CCCCCCCCCCCCCCCCOP(=O)(O)OCC(NC(C)=O)C(=O)O.N MOL31012
-CCCCCCCCCCCCOP(=O)(O)OCC(N)C(=O)O.N MOL31013
-CCCCCCCCCCCCP(=O)(O)OCC(N)C(=O)O.N MOL31014
-Cc1csc(CP(=O)(OC(C)C)OC(C)C)n1 MOL31015
-COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1O MOL31016
-COc1cc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)cc(OC)c1OC(C)=O MOL31017
-COc1cc(C2c3cc4c(cc3OC(N3CCCCC3)C2C)OCO4)cc(OC)c1O MOL31018
-COc1cc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)cc(OC)c1O MOL31019
-COc1cc(C2c3cc4c(cc3OC(O)C2C)OCO4)cc(OC)c1O MOL31020
-CCN(CC)C1Oc2cc3c(cc2C(c2cc(OC)c(O)c(OC)c2)C1C)OCO3 MOL31021
-COc1ccc(NC2Oc3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C2C)OCO4)cc1 MOL31022
-COc1cc(C2c3cc4c(cc3OC(NNC(N)=O)C2C)OCO4)cc(OC)c1O MOL31023
-COc1cc(C2c3cc4c(cc3OC(NNc3ccccc3)C2C)OCO4)cc(OC)c1O MOL31024
-COc1cc(C2c3cc4c(cc3OC(NN)C2C)OCO4)cc(OC)c1O MOL31025
-COc1cc(C2c3cc4c(cc3OC(NNS(=O)(=O)c3ccc(C)cc3)C2C)OCO4)cc(OC)c1O MOL31026
-COc1cc(C2c3cc4c(cc3OC(Nc3ccccc3)C2C)OCO4)cc(OC)c1O MOL31027
-COc1cc(C2c3cc4c(cc3OC(NCCO)C2C)OCO4)cc(OC)c1O MOL31028
-COc1cc(C2c3cc4c(cc3OC(NN=C(C)C)C2C)OCO4)cc(OC)c1O MOL31029
-O=C(OCc1c(-c2ccccc2)nn(-c2ccccc2)c1COC(=O)Oc1ccccc1)Oc1ccccc1 MOL31030
-NC(=O)OCc1c(-c2ccccc2)nn(-c2ccccc2)c1COC(N)=O MOL31031
-ClCc1c(-c2ccccc2)nn(-c2ccccc2)c1CCl MOL31032
-CC1Cn2c(=S)[nH]c3cccc(c32)NC1=O MOL31033
-O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc2ccccc2c1 MOL31034
-O=C(C=Cc1ccc(O)c(O)c1)OCCc1cccc2ccccc12 MOL31035
-O=C(C=Cc1cc(O)c(O)c(O)c1)OCCc1ccccc1 MOL31036
-O=C(C=Cc1ccc(F)c(F)c1)OCCc1ccccc1 MOL31037
-COC(=O)c1ccc2c(O)c(O)ccc2c1 MOL31038
-O=C(Cc1ccccc1)NCCc1ccc(O)c(O)c1 MOL31039
-O=C(CCc1ccccc1)NCCc1ccc(O)c(O)c1 MOL31040
-O=C(CCc1ccc(O)c(O)c1)NCCc1ccccc1 MOL31041
-O=C(CCc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1 MOL31042
-O=C(CCc1ccc(O)c(O)c1)NCCc1cc(O)c(O)c(O)c1 MOL31043
-C=CC(C)(C=Cc1ccc(O)cc1)CCC=C(C)C MOL31044
-COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(C(C)O)C2C(C)=O MOL31045
-COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(C(C)O)C2C(C)O MOL31046
-Cc1cc(=O)oc2c(C)c3oc(CBr)cc3cc12 MOL31047
-Cc1cc(=O)oc2c(C)c3oc(CBr)c(Br)c3cc12 MOL31048
-CC(=O)N(C)CCc1c[nH]c2ccccc12 MOL31049
-Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CO MOL31050
-Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1CCl MOL31051
-COC1OC(CO)C(NC2=NC3C(O2)C(O)C(O)C3(O)CO)C(O)C1O MOL31052
-CCOC(=O)CC(=O)Nc1cccc2sc3ncccc3c(=O)c12 MOL31053
-CCOC(=O)c1c(O)nc2cccc3sc4ncccc4c1c23 MOL31054
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C3(O)CCC4C5CCC6=CC(=O)CCC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O MOL31055
-CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31056
-CN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL31057
-Cc1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 MOL31058
-Cc1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 MOL31059
-CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31060
-CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL31061
-CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL31062
-CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31063
-CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31064
-CN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL31065
-Cc1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31066
-CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1 MOL31067
-CNc1ccc(C)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL31068
-CNc1ccc(Cl)cc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL31069
-CNc1c(Cl)cccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31070
-COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 MOL31071
-CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 MOL31072
-Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 MOL31073
-CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 MOL31074
-CNc1cc(C)ccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31075
-CNc1cc(Cl)ccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL31076
-COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 MOL31077
-CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 MOL31078
-Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 MOL31079
-CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 MOL31080
-COc1cccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2-c2ccccc2)c1 MOL31081
-O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccc(Cl)cc2)c1-c1ccccc1)Nc1cccc(Cl)c1 MOL31082
-O=C(CC(=O)n1nc(-c2ccccc2)c(N=Nc2ccccc2C(=O)O)c1-c1ccccc1)Nc1ccc(Cl)cc1 MOL31083
-Cl.N=C1Nc2ccccc2Sc2nc3ccccc3n21 MOL31084
-COc1ccc2c(c1)NC(=N)n1c(nc3ccccc31)S2.Cl MOL31085
-N=C1Nc2cc(C(F)(F)F)ccc2Sc2nc3ccccc3n21 MOL31086
-N=C1Nc2cc(Cl)ccc2Sc2nc3ccccc3n21 MOL31087
-COc1ccc2c(c1)nc1n2C(=N)Nc2ccccc2S1 MOL31088
-Cc1ccc2c(c1)nc1n2C(=N)Nc2ccccc2S1.Cl MOL31089
-N=C1Nc2ccccc2Sc2nccn21 MOL31090
-N=C1Nc2ccccc2Sc2nncn21 MOL31091
-N=C1Nc2ccccc2Sc2nnc(-c3ccc(Cl)cc3)n21 MOL31092
-C[N+]([O-])(CCCl)CCCn1ccnc1[N+](=O)[O-].Cl MOL31093
-COc1ccc(OC)c2c1ccc1c(C)c3ccccc3c(C)c12 MOL31094
-COc1ccc(C2c3c[nH]nc3CC3CCCCC32)cc1 MOL31095
-O=c1c(=Cc2ccccc2)sc2n1C(c1ccccc1)C1(O)CCCCC1N=2 MOL31096
-COc1ccc(C=c2sc3n(c2=O)C(c2ccccc2)C2(O)CCCCC2N=3)cc1 MOL31097
-COc1ccc(C2C3=CONC3CC3CCCCC32)cc1 MOL31098
-Cc1ccc(N=NC(=O)NNc2ccc(C)cc2Br)c(Br)c1 MOL31099
-O=C(N=Nc1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1 MOL31100
-CCc1ccccc1N=NC(=O)NNc1ccccc1CC MOL31101
-Cc1cc([N+](=O)[O-])ccc1N=NC(=O)NNc1ccc([N+](=O)[O-])cc1C MOL31102
-Cc1ccc(N=NC(=O)NNc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] MOL31103
-O=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL31104
-Cc1c(Cl)cccc1N=NC(=O)NNc1cccc(Cl)c1C MOL31105
-O=C(N=Nc1ccccc1Cl)NNc1ccccc1Cl MOL31106
-Cc1cc(Cl)ccc1N=NC(=O)NNc1ccc(Cl)cc1C MOL31107
-O=C(N=Nc1ccc(Cl)cc1Cl)NNc1ccc(Cl)cc1Cl MOL31108
-O=C(N=Nc1ccccc1Br)NNc1ccccc1Br MOL31109
-O=C(N=Nc1cccc(Cl)c1)NNc1cccc(Cl)c1 MOL31110
-Cc1cccc(N=NC(=O)NNc2cccc(C)c2C)c1C MOL31111
-Cc1ccc([N+](=O)[O-])cc1N=NC(=O)NNc1cc([N+](=O)[O-])ccc1C MOL31112
-O=C(N=Nc1cc(Cl)ccc1Cl)NNc1cc(Cl)ccc1Cl MOL31113
-Cc1ccc(Cl)cc1N=NC(=O)NNc1cc(Cl)ccc1C MOL31114
-O=C(N=Nc1ccc(Br)cc1)NNc1ccc(Br)cc1 MOL31115
-O=C(O)c1ccc([N+](=O)[O-])c2cc3cnccc3nc12 MOL31116
-O=C(O)c1cc([N+](=O)[O-])cc2c(=O)c3cnccc3[nH]c12 MOL31117
-S=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31118
-CN(C)c1ccc(N2C(=S)SC(=Nc3ccccc3)C2=Nc2ccccc2)cc1 MOL31119
-CCOC(=O)c1ccc(N=C2SC(=S)N(c3ccc(F)cc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1 MOL31120
-S=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc2ccccc2c1 MOL31121
-Cc1ccc(N=C2SC(=S)N(CCC[N+](C)(C)C)C2=Nc2ccc(C)cc2)cc1.[I-] MOL31122
-O=S(=O)(N=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=NS(=O)(=O)c1ccccc1)c1ccccc1 MOL31123
-COc1ccc(N2C(=Nc3ccccc3)SC(=NS(=O)(=O)c3ccccc3)C2=NS(=O)(=O)c2ccccc2)cc1 MOL31124
-c1ccc(N=C2SC(=NC3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1 MOL31125
-O=C1c2ccccc2C(=O)N1N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31126
-CN(C)C(=O)N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc([N+](=O)[O-])cc1 MOL31127
-CN(C)C(=S)N=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc([N+](=O)[O-])cc1 MOL31128
-COc1ccc(N=C2SC(=NC(=Nc3ccccc3)SCc3ccccc3)N(c3ccccc3)C2=Nc2ccc(OC)cc2)cc1 MOL31129
-Fc1ccc(N2C(=S)SC(=Nc3ccccc3)C2=Nc2ccccc2)cc1 MOL31130
-c1ccc(N=C2Sc3nc4cccc5cccc(c54)n3C2=Nc2ccccc2)cc1 MOL31131
-c1ccc(N=C2SC3=NCCN3C2=Nc2ccccc2)cc1 MOL31132
-CCOC(=O)C(C(=O)OCC)=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31133
-N#CC(C#N)=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31134
-S=C(C=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)Nc1ccccc1 MOL31135
-CCOC(=O)c1ccc(N=C2SC(=CC(=S)Nc3ccccc3)N(c3ccccc3)C2=Nc2ccc(C(=O)OCC)cc2)cc1 MOL31136
-C1=C(N2CCOCC2)C(=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)CC1 MOL31137
-Cc1ccc(N=C2SC(=C3CCC=C3N3CCOCC3)N(c3ccc(Cl)cc3)C2=Nc2ccc(C)cc2)cc1 MOL31138
-O=C1CCCCC1=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31139
-Cc1ccc(S(=O)(=O)NN=c2sc3ccccc3n2C)cc1 MOL31140
-Cn1c(=Nc2ccc(Cl)cc2)sc2ccccc21 MOL31141
-Cn1c(=Nc2ccccc2[N+](=O)[O-])sc2ccccc21 MOL31142
-O=C1N=C(Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31143
-O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31144
-O=C(N=C1N(c2ccccc2)C(=O)C(=O)N1c1ccccc1)c1ccccc1 MOL31145
-COc1ccc(C(=O)N=C2N(c3ccccc3)C(=Nc3ccccc3)C(=Nc3ccccc3)N2c2ccccc2)cc1 MOL31146
-c1ccc(N=C2C(=Nc3ccccc3)N(C3CCCCC3)C(=NC3CCCCC3)N2c2ccccc2)cc1 MOL31147
-CCOC(=O)CCN1C(=O)C(=O)N(c2ccc(OC)cc2)C1=S MOL31148
-O=C1NC(=S)N(c2ccccc2)C1=O MOL31149
-O=C1C(=O)N(C23CC4CC(CC(C4)C2)C3)C(=S)N1c1ccccc1 MOL31150
-O=C1C(=O)N(C2CCCCC2)C(=S)N1C1CCCCC1 MOL31151
-NS(=O)(=O)c1ccc(N2C(=O)C(=O)N(c3ccccc3)C2=S)cc1 MOL31152
-COc1ccc(N2C(=O)C(=O)N(c3ccc(N=Nc4ccccc4)cc3)C2=S)cc1 MOL31153
-COc1ccc(N2C(=O)C(=O)N(c3ccccc3[N+](=O)[O-])C2=S)cc1 MOL31154
-O=C1C(=O)N(c2cccc(C(F)(F)F)c2)C(=S)N1c1ccccc1 MOL31155
-CCOC(=O)c1ccc(N2C(=S)N(C(=O)c3ccccc3)C(=Nc3ccccc3)C2=Nc2ccccc2)cc1 MOL31156
-COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(S(=O)(=O)c3ccccc3)C(=S)N2c2ccccc2)cc1 MOL31157
-O=C(c1ccccc1)N1C(=S)N(c2ccc([N+](=O)[O-])cc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31158
-O=C(c1ccccc1)N1C(=S)N(c2ccccn2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31159
-Cc1ccc(N=C2C(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C(=S)N2C(=O)c2ccccc2)cc1 MOL31160
-COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccc(N(C)C)cc3)C(=S)N2c2ccc(OC)cc2)cc1 MOL31161
-CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31162
-COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(S(=O)(=O)c3ccccc3)C(=S)N2c2ccc(OC)cc2)cc1 MOL31163
-COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3[N+](=O)[O-])C(=S)N2c2ccc(OC)cc2)cc1 MOL31164
-O=C(c1ccccc1)N1C(=S)N=C(Nc2ccccc2)C1=Nc1ccccc1 MOL31165
-N=C1N(c2ccccc2)C(=S)C(=Nc2ccccc2)N1c1ccccc1 MOL31166
-S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2cccc[n+]2Cc2ccccc2)N1c1ccccc1.[Br-] MOL31167
-S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2ccccn2)N1c1ccccc1 MOL31168
-S=C1C(=Nc2ccccc2)N(C2CCCCC2)C(=NC2CCCCC2)N1c1ccccc1 MOL31169
-COc1ccc(N=C2C(=S)N(c3ccc(OC)cc3)C(=NS(=O)(=O)c3ccccc3)N2c2ccccc2)cc1 MOL31170
-CCOC(=O)c1ccc(N=C2C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2N=Cc2ccccc2)cc1 MOL31171
-N=C1N(N=Cc2ccccn2)C(=Nc2ccccc2)C(=S)N1c1ccccc1 MOL31172
-S=C1N(N=Cc2c3ccccc3cc3ccccc23)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1 MOL31173
-O=C(C=Cc1ccccc1)C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31174
-O=c1oc2ccccc2cc1C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31175
-Oc1ccccc1C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31176
-Oc1cc(N2CCCC2)ccc1C=NN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31177
-Oc1ccccc1C=NN1C(=S)N(C23CC4CC(CC(C4)C2)C3)C(=Nc2ccccc2)C1=Nc1ccccc1 MOL31178
-COc1ccc(N=C2C(=Nc3ccc(OC)cc3)N(c3ccccc3)C(=S)N2N=C=C2Sc3ccccc3N2C)cc1 MOL31179
-c1ccc(N=C2SC(=NNc3ccccc3)SC2=Nc2ccccc2)cc1 MOL31180
-Cc1ccc(N=C2SC(=NN(C)C)SC2=Nc2ccc(C)cc2)cc1 MOL31181
-CN(C)c1ccc(NN=C2SC(=Nc3ccccc3)C(=Nc3ccccc3)S2)cc1 MOL31182
-COc1ccc(N=C2SC(=NN=c3sc4ccccc4n3C)SC2=Nc2ccc(OC)cc2)cc1 MOL31183
-O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccccc1 MOL31184
-O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccc([N+](=O)[O-])cc1 MOL31185
-O=C(N=C1[Se]C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc(Cl)cc1)c1ccccc1 MOL31186
-COc1ccc(N=C2[Se]C(=NC(=O)c3ccccc3)N(c3ccc(OC)cc3)C2=Nc2ccc(OC)cc2)cc1 MOL31187
-c1ccc(N=c2sc3ccccc3sc2=Nc2ccccc2)cc1 MOL31188
-c1ccc(N=c2sc3ccccc3nc2Nc2ccccc2)cc1 MOL31189
-CCOC(=O)c1ccc(N=c2sc3ccccc3nc2Nc2ccc(C(=O)OCC)cc2)cc1 MOL31190
-O=[N+]([O-])c1ccc2oc(=Nc3ccccc3)c(Nc3ccccc3)nc2c1 MOL31191
-O=[N+]([O-])c1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1 MOL31192
-Cc1ccc2nc(Nc3ccccc3C)c(Nc3ccccc3C)nc2c1 MOL31193
-Cc1ccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3nc2Nc2ccc(C)cc2)cc1 MOL31194
-COC(=O)c1sc2nc(Nc3ccccc3)c(=Nc3ccccc3)sc2c1C MOL31195
-Cc1ccc(N=c2oc3c(ccc4ccccc43)nc2Nc2ccc(C)cc2)cc1 MOL31196
-Br.N=C(N)SCc1ccc(N=C=S)cc1 MOL31197
-Br.N=C(NN)SCc1ccc(N=C=S)cc1 MOL31198
-Br.CN=C(Nc1cccc(C(F)(F)F)c1)SCc1ccc(N=C=S)cc1 MOL31199
-Br.S=C=Nc1ccc(CSc2nc3ccccc3[nH]2)cc1 MOL31200
-CCCCCCCCCCCC(=O)Oc1c(Cl)cc(Cl)c(OC(=O)C(=O)Oc2c(Cl)cc(Cl)c(OC(=O)CCCCCCCCCCC)c2Cl)c1Cl MOL31201
-O=C(Oc1c(Br)cc(Br)cc1C(=O)Oc1ccccc1)C(=O)Oc1c(Br)cc(Br)cc1C(=O)Oc1ccccc1 MOL31202
-Cn1cc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccc(F)cc21 MOL31203
-O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1c(-c2ccccc2)oc2ccccc2c1=O MOL31204
-O=C(O)CN(CC(=O)O)Cc1ccn(-c2cccc(-n3ccc(CN(CC(=O)O)CC(=O)O)n3)n2)n1 MOL31205
-CCOC(=O)C=CCCCC(N1CCCC1)n1nnc2ccccc21 MOL31206
-C(=Cc1ccccc1)COc1ccccc1C(N1CCOCC1)n1nc2ccccc2n1 MOL31207
-Cl.N=C(N)NN=Cc1c(-c2ccccc2)nc2sccn12 MOL31208
-Cc1ccc(-c2nc3n(c2C=NNC(=N)N)CCS3)cc1.Cl MOL31209
-Cc1cc(CC2OC3OC(C)(C)OC3C3OC(C)(C)OC23)c2ccccc2n1 MOL31210
-CC1(C)OCC(C2OC3OC(C)(C)OC3C2c2ccccc2)O1 MOL31211
-Cc1cc(C23OC4COC(C)(C)OC4C2OC(C)(C)O3)nc2ccccc12 MOL31212
-Cc1cc(C23OC4COC(C)(C)OC4C2OC(C)(C)O3)ncn1 MOL31213
-COC(=O)C(C)(C)C1OC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)C1C(C)C MOL31214
-CC(=O)Oc1ccc(C2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(C)c1 MOL31215
-O=C(NC(CCCCN1C(=O)c2ccccc2C1=O)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 MOL31216
-Cn1c2c(c3ccccc31)CCN1C(=O)CN(C(=O)C3CCCCC3)CC21 MOL31217
-C=CC1(c2ccc(OC)cc2)OCCCO1 MOL31218
-C=CC1(c2ccc(Br)cc2)OCCCO1 MOL31219
-C=CC1(c2ccc(-c3ccccc3)cc2)OCCO1 MOL31220
-C=CC1(c2ccc(Cl)c(Cl)c2)OCCO1 MOL31221
-C=CC1(c2ccc3ccccc3c2)OCC(CC)O1 MOL31222
-C=CC1(c2ccc3ccccc3c2)OCC(CC)(CC)CO1 MOL31223
-COC(=O)C(=CNc1cccc(C)n1)S(=O)(=O)c1ccc(C)cc1 MOL31224
-CCOC=C(C(=O)OC)S(=O)(=O)c1ccc(C)cc1 MOL31225
-CCn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=S MOL31226
-CCn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=O MOL31227
-CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=S MOL31228
-CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccc(C)cc2)c1=S MOL31229
-CSc1nc2c(=O)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2s1 MOL31230
-CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(CC)c1=S MOL31231
-CCn1c(=O)c2nc(SC)sc2n(-c2ccc(C)cc2)c1=O MOL31232
-CCOC(=O)Cn1c(=O)c2nc(SC)sc2n(-c2ccccc2)c1=O MOL31233
-CCOC(=O)c1c(N)sc2c1C(C(=O)OCC)CC2 MOL31234
-CCOC(=O)c1c(N)sc2c1C(C)(C(=O)OCC)CC2 MOL31235
-CCOC(=O)C1(C)CCc2sc(N)c(C#N)c21 MOL31236
-CCOC(=O)c1c(N)sc2c1C(C(=O)OCC)CCC2 MOL31237
-CCOC(=O)C1CCCc2sc(N)c(C#N)c21 MOL31238
-CCOC(=O)C1(C)CCCc2sc(N)c(C#N)c21 MOL31239
-CCOC(=O)c1c(N)sc2c1C(C(=O)OCC)CCCC2 MOL31240
-CCOC(=O)C1CCCCc2sc(N)c(C#N)c21 MOL31241
-CN(C)CCn1c2ccccc2c2nc3cc4ccccc4cc3nc21.Cl MOL31242
-O=C(NN=CC(F)(F)F)c1ccncc1 MOL31243
-O=C(NN=C(c1ccccc1)C(F)(F)F)c1ccncc1 MOL31244
-CC(=NNC(=O)c1ccncc1)C(F)(F)F MOL31245
-COC(=NN1CC1C(F)(F)F)c1ccncc1 MOL31246
-COC(=NN=C(c1ccccc1)C(F)(F)F)c1ccncc1 MOL31247
-COC(=NN=C(C)C(F)(F)F)c1ccncc1 MOL31248
-CC1SC(c2ccc(Cl)cc2Cl)N(NC(=O)c2ccncc2)C1=O MOL31249
-CC1SC(c2ccc(Cl)cc2Cl)N(NC(=O)c2ccncc2)C1=O MOL31250
-COc1cc(C(=O)Nc2c3ccccc3nc3ccccc23)cc(OC)c1OC MOL31251
-COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1 MOL31252
-COc1ccc2nc3cc(Cl)ccc3c(NCCCN(Cc3cc(OC)c(OC)c(OC)c3)Cc3cc(OC)c(OC)c(OC)c3)c2c1 MOL31253
-COc1cc(CN(C)N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc(OC)c1OC MOL31254
-CC(=O)OC1CCC2C3CCc4cc(O)c(I)cc4C3CCC12C MOL31255
-CC12CCC3c4cc(I)c(O)cc4CCC3C1CCC2O MOL31256
-CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)O)OC(=O)CCCCCCCCCCCCCCCCC MOL31257
-CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1)OC(=O)CCCCCCCCCCCCCCCCC MOL31258
-O=[N+]([O-])c1ccc(N=Cc2ccc(O)cc2)cc1 MOL31259
-O=[N+]([O-])c1cccc(N=Cc2ccc(O)cc2)c1 MOL31260
-O=[N+]([O-])c1cccc(N=Cc2ccc(Cl)cc2)c1 MOL31261
-CC(=Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 MOL31262
-CC(=O)c1cccc(C(C)=O)c1N=Cc1ccccc1 MOL31263
-CC(=O)c1cccc(C(C)=O)c1N=Cc1ccc(O)cc1 MOL31264
-CC(=O)c1cccc(C(C)=O)c1N=Cc1ccc(Cl)cc1 MOL31265
-O=[N+]([O-])c1ccc(N=Cc2ccc(Cl)cc2)cc1 MOL31266
-O=[N+]([O-])c1ccc(N=Cc2ccccc2O)cc1 MOL31267
-O=[N+]([O-])c1cccc(N=Cc2ccccc2O)c1 MOL31268
-O=[N+]([O-])c1ccccc1N=Cc1ccccc1O MOL31269
-COc1ccc2c(c1)C(=O)C(=Cc1ccccc1)C2 MOL31270
-COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1)C2 MOL31271
-COc1cc2c(cc1OC)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)C2 MOL31272
-COc1cc(C=CC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL31273
-CC(=O)Oc1ccccc1C=CC(=O)C=Cc1ccccc1OC(C)=O MOL31274
-O=C1CC(c2ccccc2)C2(C(=O)c3ccccc3C2=O)C(c2ccccc2)C1 MOL31275
-O=C1CC(c2ccccc2)C2(C(=O)c3ccccc3C2=O)C(c2ccccc2)C1 MOL31276
-CC(=O)Oc1ccccc1C1CC(=O)CC(c2ccccc2OC(C)=O)C12C(=O)c1ccccc1C2=O MOL31277
-COc1cc(C2CC(=O)CC(c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC MOL31278
-Cn1c(CCC2(C)Cc3ccccc3C(=O)O2)cc2ccccc2c1=O MOL31279
-COc1ccc(C(Cl)=C(CNc2ccccn2)c2ccccc2)cc1OC MOL31280
-Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(Cl)cc1)O2 MOL31281
-Cc1cc(Cl)c(O)c(C(=O)C(=O)C(O)c2ccc3c(c2)OCO3)c1 MOL31282
-Cc1cc(Cl)c(O)c(C2(C(O)c3ccc(O)cc3)NC(=S)NC2=O)c1 MOL31283
-Cc1cc(Cl)c2c(c1)C(=NO)C(=Cc1ccco1)O2 MOL31284
-Cc1cc(Cl)c(O)c(-c2cc(-c3ccccc3O)c(C#N)c(N)n2)c1 MOL31285
-COc1ccc(-c2cc(-c3cc(C)cc(Cl)c3O)nc3nc(S)nc(S)c23)cc1 MOL31286
-Cc1cc(Cl)c(O)c(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(N)nc(S)nc3n2)c1 MOL31287
-COc1cc(-c2cc(-c3cc(C)cc(Cl)c3O)nc3ncnc(N)c23)ccc1O MOL31288
-Cc1cc(Cl)c(O)c(-c2cc(-c3ccc([N+](=O)[O-])cc3)c3c(N)nc(O)nc3n2)c1 MOL31289
-N#Cc1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nc1S MOL31290
-COc1ccc(-c2cc(-c3ccccc3)nc(S)c2C#N)cc1 MOL31291
-Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(S)n2)cc1 MOL31292
-CC(=O)OCC1OC(n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL31293
-COc1ccc(-c2cc(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL31294
-COc1ccc(-c2cc(-c3ccc(C)cc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL31295
-COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1 MOL31296
-CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL31297
-CC(=O)OCC1OC(n2c(-c3ccc(C)cc3)cc(-c3ccco3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL31298
-COc1ccc(-c2cc(-c3ccccc3)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL31299
-CC(=O)OC1COC(n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O MOL31300
-N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=S MOL31301
-N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c1=S MOL31302
-N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n(C2OCC(O)C(O)C2O)c1=S MOL31303
-Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1 MOL31304
-Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1 MOL31305
-COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)n2C2OC(CO)C(O)C(O)C2O)cc1 MOL31306
-COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL31307
-CC(Nc1ccc(Cl)cc1)c1ccncc1 MOL31308
-CC(Nc1cc(Cl)cc(Cl)c1)c1ccncc1 MOL31309
-CC(Nc1ccc(Cl)c(Cl)c1)c1ccncc1 MOL31310
-CC(Nc1cccc(Cl)c1)c1ccncc1 MOL31311
-COc1ccc(NC(C)c2ccncc2)cc1 MOL31312
-CC(=Nc1ccc(Cl)cc1)c1ccncc1 MOL31313
-CC(=Nc1cc(Cl)cc(Cl)c1)c1ccncc1 MOL31314
-CC(=Nc1ccc(Cl)c(Cl)c1)c1ccncc1 MOL31315
-CC(=Nc1cccc(Cl)c1)c1ccncc1 MOL31316
-COc1ccc(N=C(C)c2ccncc2)cc1 MOL31317
-COCC(Cc1ccccc1)N=Cc1ccccc1 MOL31318
-COCC(N=Cc1ccc([N+](=O)[O-])cc1)C(C)C MOL31319
-COCC(N=Cc1ccc(OC)cc1)C(C)C MOL31320
-N=c1[nH][n+](CC(=O)c2ccccc2)c2sc(-c3ccccc3)nn12.[Br-] MOL31321
-Cc1n[n+](CC(=O)c2ccccc2)c2sc(=N)[nH]n12.[Br-] MOL31322
-Cc1n2[nH]c(=N)sc2n[n+]1CC(=O)c1ccccc1.[Br-] MOL31323
-N=C1N2N=C(c3ccccc3)SC2=N[NH+]1CC(=O)c1ccccc1.[Br-] MOL31324
-Cc1n[n+](Cc2ccccc2)c2sc(=N)[nH]n12.[Br-] MOL31325
-Cc1n2[nH]c(=N)sc2n[n+]1Cc1ccccc1.[Br-] MOL31326
-Cc1nnc2sc(NN=Cc3ccccc3)nn12 MOL31327
-Cc1nnc2sc(NN)nn12 MOL31328
-Cc1nnc2sc(Cl)nn12 MOL31329
-CCOC(CNc1nn2c(C)nnc2s1)OCC MOL31330
-O=c1c2c(F)c(F)c(F)c(F)c2sc2nc3ccccc3n12 MOL31331
-O=c1c2c(F)c(F)c(F)c(F)c2sc2nccn12 MOL31332
-O=C1c2c(F)c(F)c(F)c(F)c2SC2=NCCN12 MOL31333
-O=c1c2c(F)c(F)c(F)c(F)c2sc2nc3cccc4cccc(c43)n12 MOL31334
-Fc1c(F)c(F)c2c(c1F)CSc1nc3ccccc3n1-2 MOL31335
-O=C(c1c(F)c(F)c(F)c(F)c1F)n1c(=O)[nH]c2ccccc21 MOL31336
-Cc1nc2ccccc2n1C(=O)c1c(F)c(F)c(F)c(F)c1F MOL31337
-Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F MOL31338
-O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C1=S MOL31339
-O=C(c1c(F)c(F)c(F)c(F)c1F)n1c(=S)n(C(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21 MOL31340
-O=C(NN=Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F MOL31341
-CCCCCCCN1C(=O)C(O)(c2ccc(C3(O)C(=O)N(CCCCCCC)c4ccccc43)s2)c2ccccc21 MOL31342
-O=C(OC1C=C=CS(=O)(=O)CC#CC=C1)c1cnc2ccccc2n1 MOL31343
-O=C(OC1C#CCSCC#CC=C1)c1ccc2c(c1)C(=O)c1ccccc1C2=O MOL31344
-CC(=O)NCCC1CN(C(=O)C=CI)c2ccccc21 MOL31345
-C#CCC(C#C)N(CCc1ccsc1)Cc1ccccc1 MOL31346
-CN1C(=O)C2C=C3CCCCC3=CC2N(C)C1=O MOL31347
-c1ccc(C2=N[NH+]3C(=[S+][Fe-2]34[S-2][Fe-2]3([S+]=C5OC(c6ccccc6)=N[NH+]53)[S-2]4)O2)cc1 MOL31348
-NN1C(c2ccccc2)=N[NH+]2C1=[S+][Fe-2]21[S-2][Fe-2]2([S+]=C3N(N)C(c4ccccc4)=N[NH+]32)[S-2]1 MOL31349
-c1ccc2c(c1)NC1=[S+][Fe-2]3([S-2][Fe-2]4([S+]=C5Nc6ccccc6[NH+]54)[S-2]3)[NH+]12 MOL31350
-c1ccc2c(c1)SC1=[S+][Fe-2]3([S-2][Fe-2]4([S+]=C5Sc6ccccc6[NH+]54)[S-2]3)[NH+]12 MOL31351
-c1ccc(-c2nnc(SSSSc3nnc(-c4ccccc4)o3)o2)cc1 MOL31352
-Nn1c(SSSSc2nnc(-c3ccccc3)n2N)nnc1-c1ccccc1 MOL31353
-c1ccc2[nH]c(SSSSc3nc4ccccc4[nH]3)nc2c1 MOL31354
-c1ccc2sc(SSSSc3nc4ccccc4s3)nc2c1 MOL31355
-CC(=O)n1c(=S)n(C(C)=O)c2ccccc21 MOL31356
-N=c1[nH]nc(-c2ccccc2O)o1 MOL31357
-S=c1[nH]nc(-c2ccccc2Cl)o1 MOL31358
-COc1ccc(N2NC(c3ccccc3)(c3ccccc3)C(C)C2=O)cc1 MOL31359
-CC1C(=O)N(c2ccccc2)NC12CCCc1ccccc12 MOL31360
-CC(c1cccs1)=[N+]1[N-]C(N)=[S+][AlH3-]12[OH+]B(c1ccccc1)[OH+]2 MOL31361
-CC(c1ccccn1)=[N+]1[N-]C(N)=[S+][AlH3-]12[OH+]B(c1ccccc1)[OH+]2 MOL31362
-CN1C(NC#N)=NP(=O)(O)C1(C)C.N MOL31363
-CCCN.CCOP1(=O)N=C(NC#N)N(C)C1(C)C MOL31364
-CCOP1(=O)N=C(NC(=N)N(CC)CC)N(C)C1(C)C MOL31365
-CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC MOL31366
-CCCCOP(C)(=O)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F MOL31367
-CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C MOL31368
-CCCCCCOP(=O)(OCCCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F MOL31369
-COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1 MOL31370
-CCOC(=O)NC(N(C)C(C(C)C)P(=O)(OCC)OCC)(C(F)(F)F)C(F)(F)F MOL31371
-CC(C)C(Cl)=NOC(NC(=O)P(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F MOL31372
-COC(NC(=O)Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F MOL31373
-COC(NC(=O)Nc1ccccc1C)(C(F)(F)F)C(F)(F)F MOL31374
-CCOC(=O)C(C(=O)OCC)C(NC(=O)Nc1cc(C(F)(F)F)ccc1OC)(C(F)(F)F)C(F)(F)F MOL31375
-CC(C)C(Cl)=NOC(NC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F MOL31376
-CCOC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F MOL31377
-CCOC(=O)NC(Nc1ccc(C(=O)OCC)cc1)(C(F)(F)F)C(F)(F)F MOL31378
-CCOC(=O)NC(OC)(C(F)(F)F)C(F)(F)F MOL31379
-CCOC(=O)c1ccc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)cc1 MOL31380
-CCOC(=O)NC(Nc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F MOL31381
-CCOC(=O)NC(Nc1ccc(C(=O)O)cc1)(C(F)(F)F)C(F)(F)F MOL31382
-CCOC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F MOL31383
-CCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F MOL31384
-CCOC(=O)NC(Nc1c(F)c(F)c(F)c(F)c1F)(C(F)(F)F)C(F)(F)F MOL31385
-CCC(=O)NC(NNS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F MOL31386
-CCOC(=O)NC(NC(C)CC)(C(F)(F)F)C(F)(F)F MOL31387
-CCOC(=O)NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F MOL31388
-CCOC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F MOL31389
-CCOC(=O)NC(Nc1cc(Cl)ccc1OC)(C(F)(F)F)C(F)(F)F MOL31390
-CCOC(=O)NC(C(C(=O)OCC)C(=O)OCC)(C(F)(F)F)C(F)(F)F MOL31391
-CCOC(=O)NC(NCC(O)c1ccccc1)(C(F)(F)F)C(F)(F)F MOL31392
-CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F MOL31393
-CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F MOL31394
-CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F MOL31395
-CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F MOL31396
-CCOC(=O)NC(Nc1ccc(Cl)cn1)(C(F)(F)F)C(F)(F)F MOL31397
-COC(=O)NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F MOL31398
-CCC(=O)NC(Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F MOL31399
-CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F MOL31400
-CCOC(=O)Cc1cnc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)s1 MOL31401
-CCC(=O)NC(OCC1(CC)COC1)(C(F)(F)F)C(F)(F)F MOL31402
-CCCCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F MOL31403
-Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nc(C)n1 MOL31404
-COC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F MOL31405
-COC(=O)NC(Nc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F MOL31406
-CCOC(NC(=O)CC)(C(F)(F)F)C(F)(F)F MOL31407
-CC(C)CCOC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F MOL31408
-CCOC(=O)NC(OCCN(C)C)(C(F)(F)F)C(F)(F)F MOL31409
-CCOC(=O)NC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F MOL31410
-CCC(=O)NC(Nc1cccc(F)c1C)(C(F)(F)F)C(F)(F)F MOL31411
-CCCCOC(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F MOL31412
-O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1 MOL31413
-O=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1 MOL31414
-CCOC(=O)NC(Nc1ncn(C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1)(C(F)(F)F)C(F)(F)F MOL31415
-CCCC(Cl)=NOC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F MOL31416
-CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCCCC2)O1 MOL31417
-CC1CN=C(Nc2ccccc2)S1 MOL31418
-CC1CN=C(NCc2ccccc2)S1 MOL31419
-CC1CN=C(Nc2cccc(C(F)(F)F)c2)S1 MOL31420
-COc1ccccc1NC1=NCC(C)S1 MOL31421
-CC1CN=C(Nc2ccc(F)c(Cl)c2)S1 MOL31422
-CCC(C)NC1=NCC(C)S1 MOL31423
-CC(C)CNC1=NCC(C)S1 MOL31424
-CC1CN=C(Nc2ccc(F)cc2F)S1 MOL31425
-CC1CN=C(Nc2ccc(S(N)(=O)=O)cc2)S1 MOL31426
-C=C1CN=C(Nc2ccc(F)cc2F)S1 MOL31427
-C=C1CN=C(Nc2ccc(Cl)cc2)S1 MOL31428
-CC1CN=C(N(C(=O)Nc2ccccc2)c2ccccc2)S1 MOL31429
-CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(Cl)c(Cl)c2)S1 MOL31430
-CNC(=O)N(C1=NCC(C)S1)c1ccc(C)c(C)c1 MOL31431
-CC1CN=C(N(C)C(=O)Nc2ccc(Cl)cc2)S1 MOL31432
-O=C(Nc1ccccc1)N(C1=NCC(CI)S1)c1ccc(F)c(F)c1 MOL31433
-Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1C MOL31434
-CC1CN=C(N(C)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 MOL31435
-CC1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)S1 MOL31436
-Cc1cccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCC(C)S2)c1 MOL31437
-CC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)S1 MOL31438
-CC1CN=C(N(C(=O)Nc2ccccc2)C2CCCCC2)S1 MOL31439
-CC1CN=C(N(C(=O)Nc2ccc(Cl)cc2)c2cccc(Cl)c2)S1 MOL31440
-CC1CN=C(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2)S1 MOL31441
-CC1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2)S1 MOL31442
-Cc1ccc(N(C(=O)Nc2ccc(F)c(Cl)c2)C2=NCC(C)S2)cc1 MOL31443
-CC(Cl)=NOC(=O)Nc1ccc(C)cc1 MOL31444
-CCC(Cl)=NOC(=O)Nc1ccc(F)c(Cl)c1 MOL31445
-CCCC(Cl)=NOC(=O)Nc1ccc(Br)cc1 MOL31446
-CCOC(=O)c1ccc(NC(=O)ON=C(Cl)C(C)C)cc1 MOL31447
-CC(Cl)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1 MOL31448
-CCOC(=O)c1ccc(NC(=O)ON=C(Cl)CC)cc1 MOL31449
-CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1 MOL31450
-COc1ccccc1NC(=O)ON=C(Cl)C(C)C MOL31451
-O=C(Nc1cccc(C(F)(F)F)c1)ON=C(Cl)CCl MOL31452
-CCOC(=O)c1ccc(NC(=O)ON=C(Cl)CCl)cc1 MOL31453
-CCCC(Cl)=NOC(=O)Nc1cccc(C(F)(F)F)c1 MOL31454
-CC(C)C(Cl)=NOC(=O)Nc1cccc(Cl)c1 MOL31455
-CC(C)C(Cl)=NOC(=O)Nc1ccc(S(N)(=O)=O)cc1 MOL31456
-CC(C)C(Cl)=NOC(=O)Nc1cccc(F)c1 MOL31457
-CC(C)C(Cl)=NOC(=O)Nc1ccccc1F MOL31458
-CC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F MOL31459
-CC(C)C(Cl)=NOC(=O)Nc1ccc(F)cc1F MOL31460
-CC(C)C(Cl)=NOC(=O)Nc1ccc(OC(F)(F)F)cc1 MOL31461
-CCC(Cl)=NOC(=O)Nc1ccc(C#N)cc1 MOL31462
-CC(C)C(Cl)=NOC(=O)Nc1ccc(C#N)cc1 MOL31463
-CCCC(Cl)=NOC(=O)Nc1cc(C(F)(F)F)ccc1OC MOL31464
-CCCCOP(=O)(OCCCC)C(NS(=O)(=O)c1ccccc1)(C(=O)OCC)C(F)(F)F MOL31465
-CCOC(=O)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C MOL31466
-CCOC(=O)C(NC(=O)CC)(C(F)(F)F)P(=O)(OCC)OCC MOL31467
-CCCCCOP(=O)(OCCCCC)C(NC(C)=O)(C(=O)OCC)C(F)(F)F MOL31468
-CCCOP(=O)(OCCC)OC(C(F)(F)F)C(F)(F)F MOL31469
-CCOP(C)(=O)OC(C(F)(F)F)C(F)(F)F MOL31470
-CCOC(=O)C(OP(=O)(OCC)OCC)C(F)(F)F MOL31471
-CCOC(=O)C(NC(=O)NCc1ccc(F)cc1)C(F)(F)F MOL31472
-CCOC(=O)C(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F MOL31473
-O=C(Nc1ccc(C(F)(F)F)cc1)NC(F)(F)F MOL31474
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(F)(F)F)cc2)n1 MOL31475
-Cc1ccccc1NC(=O)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F MOL31476
-CCOC(=O)C(NC(=O)Nc1ccc(C)cc1)(OCC)C(F)(F)F MOL31477
-CCOC(=O)C(NC(=O)Nc1ccc(Cl)cc1)(OC)C(F)(F)F MOL31478
-CCOC(=O)C(NC(=O)Nc1ccccc1F)(OC)C(F)(F)F MOL31479
-CCOC(=O)C(Cl)(NC(=O)NC(Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F MOL31480
-CCOC(=O)C(O)(NC(=O)NC(O)(C(=O)OCC)C(F)(F)F)C(F)(F)F MOL31481
-CCOC(=O)C(O)(NC(=O)Nc1ccc(F)cc1)C(F)(F)F MOL31482
-CCOC(=O)C(NC(=O)Nc1ccccc1)(Nc1cccc(Cl)c1)C(F)(F)F MOL31483
-CCC1(COC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)COC1 MOL31484
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F MOL31485
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F MOL31486
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F MOL31487
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F MOL31488
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F MOL31489
-CCOC(=O)C(NC(=O)c1ccccc1)(c1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F MOL31490
-NS(=O)(=O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 MOL31491
-O=C(O)CSC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F MOL31492
-O=C(O)c1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 MOL31493
-Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc2)no1 MOL31494
-CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F MOL31495
-CCOC(O)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(F)(F)F MOL31496
-CCOC(=O)C(NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F MOL31497
-CCOC(=O)C(NC(=O)CC)(Nc1ccccc1F)C(F)(F)F MOL31498
-CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F MOL31499
-CCOC(=O)NC(Nc1ncccn1)(C(=O)OCC)C(F)(F)F MOL31500
-CCOC(=O)NC(OCc1ccccc1)(C(=O)OC)C(F)(F)F MOL31501
-CCC(=O)NC(Nc1ccccc1F)(C(F)(F)F)C(F)(F)F MOL31502
-CCC(=O)NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F MOL31503
-CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F MOL31504
-FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1)C(F)(F)F MOL31505
-CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 MOL31506
-CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(N2CCOCC2)O1 MOL31507
-CCOC(=O)C1(C(F)(F)F)N=C(CC)OC(N2CCOCC2)=N1 MOL31508
-NC(CCCCP(=O)(O)O)C(=O)O MOL31509
-NC(CCCCCP(=O)(O)O)C(=O)O MOL31510
-NC(CCCCCCCCCCP(=O)(O)O)C(=O)O MOL31511
-NC(CCOCCP(=O)(O)O)C(=O)O MOL31512
-NC(CC=CP(=O)(O)O)C(=O)O MOL31513
-NC(Cc1ccccc1CP(=O)(O)O)C(=O)O MOL31514
-NC(Cc1ccc(CP(=O)(O)O)cc1)C(=O)O MOL31515
-NC(CCCCCP(=O)(c1ccccc1)C1C=CC=CC1)C(=O)O MOL31516
-NC(CCP(=O)(O)CCC1C=CC=CC1)C(=O)O MOL31517
-NC(CCOCCP(=O)(O)CCC1C=CC=CC1)C(=O)O MOL31518
-NC(CCOCCP(=O)(O)CCOCCC(N)C(=O)O)C(=O)O MOL31519
-C=C1C(=O)OC2C1CC(O)C(C)=CCCC1(C)OC21 MOL31520
-C=C1C(=O)OC2C1CC(OC(C)=O)C(C)=CCCC1(C)OC21 MOL31521
-C=C1C(=O)OC2C1CC(O)C1(C)OC1CCC1(C)OC21 MOL31522
-C=C1C(=O)OC2C1CC(O)C1(C)OC1CCC1(C)OC21 MOL31523
-CC1=CCCC2(C)OC2C2OC(=O)C(C)C2CC1O MOL31524
-C=C1C(=O)OC2C1CC(=O)C(C)=CCCC1(C)OC21 MOL31525
-O=C(O)c1cc(O)nc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(C(=O)O)cc(O)nc3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL31526
-COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C1CC(c1ccccc1)C2C(=O)OC MOL31527
-COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)CCC1C2C(=O)OC MOL31528
-COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)CC1C2C(=O)OC MOL31529
-COC(=O)C1=C(O)C(C(=O)OC)C2(O)C(C(=O)OC)C(C)C(C)C1C2C(=O)OC MOL31530
-COC(=O)CC1(O)C(C=C(C)C)C(C(=O)OC)C(=O)C(C(=O)OC)C1C(=O)OC MOL31531
-COC(=O)CC1(O)C(C=Cc2ccccc2)C(C(=O)OC)C(=O)C(C(=O)OC)C1C(=O)OC MOL31532
-O=C(OC1C2OC(=O)c3cc(O)c(O)c(O)c3Oc3cc4c(c(O)c3O)-c3c(cc(O)c(O)c3O)C(=O)OCC3OC(O)C(OC(=O)c5cc(O)c(O)c(O)c5Oc5cc6c(c(O)c5O)-c5c(cc(O)c(O)c5O)C(=O)OC1C(COC6=O)OC2O)C(OC(=O)c1cc(O)c(O)c(O)c1)C3OC4=O)c1cc(O)c(O)c(O)c1 MOL31533
-CC(CCOc1c2ccoc2cc2oc(=O)ccc12)C1=CC(=O)C(C)(C)O1 MOL31534
-C=C1C(=O)OC2C1CC(O)C(C)=CCCC1(C)OC21 MOL31535
-CCOC(=O)C(CC1OC(C)(C)OC1C1COC(C)(C)O1)=NO MOL31536
-CC1OC2(CC(OCc3ccccc3)C1OCc1ccccc1)OCCO2 MOL31537
-CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH] MOL31538
-CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O)cc1.[NaH] MOL31539
-COC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(C)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 MOL31540
-CCOC(=O)c1ncn(CCc2ccc(Cl)cc2)c1C MOL31541
-CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c(cc3c(Cl)cccc32)c1O MOL31542
-O=c1[nH]n(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc12 MOL31543
-O=c1c2cc([N+](=O)[O-])ccc2n2n1Cc1ccccc1CC2 MOL31544
-O=C1Nc2ccccc2NC1=CC(=O)C(F)F MOL31545
-CCOC1NC(N=Cc2ccc(OC)cc2)=C(C#N)C1C#N MOL31546
-CCCCCC(=Nc1nc[nH]c1C(N)=O)OCC MOL31547
-N#Cc1ccc(C2NN=CC23C(=O)c2ccccc2OC3c2ccccc2)cc1 MOL31548
-Cc1ccc(C(=O)OCC2CCC(n3cc(N(C)C4CCCCC4)c(=O)[nH]c3=O)O2)cc1 MOL31549
-CN(c1cn(C2CCC(CO)O2)c(=O)[nH]c1=O)C1CCCCC1 MOL31550
-CCCCCCCCCc1cc(-c2ccc(C=O)s2)sc1-c1ccc(C=O)s1 MOL31551
-Cc1cc(=O)n2nc(SCc3ccccc3)sc2n1 MOL31552
-CSC(=S)CC(O)C1CC2c3ccccc3C1c1ccccc12 MOL31553
-CC1(C)OC2C(C#N)CC(COC(=O)c3ccccc3)C2O1 MOL31554
-OCC1CC(c2nnn[nH]2)C(O)C1O MOL31555
-COc1c(C(C)C)cc(O)c2c1CCC1C(C)=C(C(=O)O)CCC21C MOL31556
-CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)C)c(O)c3CCC12 MOL31557
-CC1=C(C(=O)O)CCC2(C)C3=C(CCC12)C(=O)C(C(C)C)=CC3=O MOL31558
-COc1c(C(C)C)ccc2c1CCC1C(C)=C(C(=O)O)CCC21C MOL31559
-CC(C)=CCNc1ncnc2c1ncn2CCC(=O)O MOL31560
-CC(C)=CCNc1ncnc2c1ncn2CCC#N MOL31561
-CC(C)=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C MOL31562
-CC(=O)OCCn1cnc2c(NCC=C(C)C)ncnc21 MOL31563
-CC(C)=CCNc1nc(Cl)nc2[nH]cnc12 MOL31564
-CC(C)=CCN(N=O)c1ncnc2[nH]cnc12 MOL31565
-COC(=O)CCn1cnc2c(SC)ncnc21 MOL31566
-CSc1ncnc2c1ncn2CCC#N MOL31567
-CSc1ncnc2c1ncn2CCC(=O)O MOL31568
-CSc1ncnc2c1ncn2CCC(=O)OC(C)(C)C MOL31569
-CC(=CCNc1nc(Cl)nc2nc[nH]c12)CO MOL31570
-CC(=CCNc1ncnc2nc(Cl)[nH]c12)CO MOL31571
-CC(=CCNc1ncnc2c1ncn2CCC#N)CO MOL31572
-CC(=CCNc1ncnc2c1ncn2CCC(=O)O)CO MOL31573
-CC(=CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C)CO MOL31574
-CC(=CCNc1ncnc2c1ncn2CCC#N)CO MOL31575
-CC(CO)CCNc1ncnc2c1ncn2CCC#N MOL31576
-CC(CO)CCNc1ncnc2c1ncn2CCC(=O)OC(C)(C)C MOL31577
-CC(CO)CCNc1ncnc2c1ncn2CCC(=O)O MOL31578
-COc1ccc(OC)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-] MOL31579
-COc1ccc2nc(C(N)=CC#N)ccc2c1 MOL31580
-Nc1c(Br)cc(-c2cc(Br)c(N)c(Br)c2)cc1Br MOL31581
-N#CC(c1cc2c(cc1Br)OCO2)N1CCOCC1 MOL31582
-COC(=O)C1Cc2c(OC)ccc(OC)c2C(O)C1C(=O)OC MOL31583
-CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)c1cccc(OC)c1C3=O MOL31584
-COc1cccc(C(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1C#N MOL31585
-COC(=O)C1(C(=O)OC)CC(=O)c2c(OC(=O)c3cccc(OC)c3C#N)ccc(OC(=O)c3cccc(OC)c3C#N)c2C1 MOL31586
-CCOC(=O)C(C)(C(=O)OCC)C(Cl)=CCl MOL31587
-O=C1c2cscc2C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c21 MOL31588
-CCOC(=O)C(C)(C)C=CC(Cl)=C(Cl)Cl MOL31589
-CCC(=O)ONC(=O)Cn1ccc([N+](=O)[O-])n1 MOL31590
-COC(=O)CC(SCCO)SCCO MOL31591
-COC(=O)CC(SCCCl)SCCCl MOL31592
-O=C(O)c1cscc1C(=O)O MOL31593
-O=[n+]1onc(-c2ccccc2)[c-]1-c1no[n+]([O-])c1-[c-]1c(-c2ccccc2)no[n+]1=O MOL31594
-CCCCN(CCCC)C1=Nc2ccccc2-n2c(nnc2C(=O)OCC)C1 MOL31595
-CCN(CC)C(=O)c1cc([N+](=O)[O-])c(=O)n2c1[nH]c1ccccc12 MOL31596
-CCCN(CCC)C(=O)c1c(Cl)c2cccnc2n2c(C)cnc12 MOL31597
-CCCN(CCC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C)cnc12 MOL31598
-N#Cc1cccc(Nc2ccccc2SSc2ccccc2Nc2cccc(C#N)c2)c1 MOL31599
-CC1(C)C=C(C=NNc2ccccc2)C(C#N)=C(O)C1(C#N)C#N MOL31600
-COc1ccc(NN=CC2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1 MOL31601
-CC1(C)C=C(C=NNc2ccc(Br)cc2)C(C#N)=C(O)C1(C#N)C#N MOL31602
-Cc1ccc(NN=CC2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1 MOL31603
-C=CCOC(=O)NC1C(OC(C)C(NC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O MOL31604
-CC(=O)OCC(C)C1=C(O)C(=O)C2(C)CC=C(C)CCC=C(C)CCC(O)C(C)CCC12 MOL31605
-CC(=O)OCC(C)C1=C(OC(C)=O)C(=O)C2(C)CC=C(C)CCC=C(C)CCC(OC(C)=O)C(C)CCC12 MOL31606
-Cc1ccc(S(=O)(=O)NN=C2CC(C)OC3=C2CCCCCC3)cc1 MOL31607
-CN(C)c1cccc2c1C(=O)C=CC21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23 MOL31608
-CN(C)c1cccc2c1C(=O)C=CC21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)C(c2ccccc2)C1c1ccccc1 MOL31609
-O=C1CC2C(c3ccc(Br)cc3)C3C(=O)c4ccccc4NC(=O)C3C2(O)c2ccccc2N1 MOL31610
-Cc1nnc2n1-c1ccccc1-c1[nH]c3ccccc3c1C2 MOL31611
-S=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1 MOL31612
-O=C1Cc2c([nH]c3ccc(Cl)cc23)-c2ccccc2N1 MOL31613
-O=C1Cc2c([nH]c3c(Cl)cccc23)-c2ccccc2N1 MOL31614
-O=C1Cc2c([nH]c3cc(Br)ccc23)-c2ccccc2N1 MOL31615
-COc1cc2c(c3c1C(O)C(C)C(C)O3)C=CC(C)(C)O2 MOL31616
-COc1cc2c(c3c1C(O)C(C)C(C)O3)C=CC(C)(C)O2 MOL31617
-COc1cc2c(c3c1C(O)C(C)C(C)O3)C=CC(C)(C)O2 MOL31618
-CC1CCC(C(C)C)C(OC(=O)C=C2C3C=CC(O3)C2C(=O)OC2CC(C)CCC2C(C)C)C1 MOL31619
-CC1CCC(C(C)C)C(OC(=O)C=C2C3C=CC(O3)C2C(=O)OC2CC(C)CCC2C(C)C)C1 MOL31620
-CCOC(=O)C(=NNc1ccc(Cl)cc1)N1C(=S)N(C)N=C(C)C=C1S MOL31621
-CCOC(=O)C(=NNc1ccc(C)cc1)N1C(=S)N(C)N=C(C)C=C1S MOL31622
-CCOC(=O)C(=NNc1ccccc1)N1C(=S)N(C)N=C(C)C=C1S MOL31623
-CCOC(=O)C1=NN(c2ccc(Cl)cc2)C2=CC(C)=NN(C)C(=S)N21 MOL31624
-CCOC(=O)C1=NN(c2ccc(C)cc2)C2=CC(C)=NN(C)C(=S)N21 MOL31625
-CCOC(=O)C1=NN(c2ccccc2)C2=CC(C)=NN(C)C(=S)N21 MOL31626
-CCC1(CC)OC(C(O)CCc2ccccc2O)C(C(O)CCc2ccccc2O)O1 MOL31627
-CCN1c2ccccc2NC(=S)c2c(-c3ccccc3)n[nH]c21 MOL31628
-CSC1=Nc2ccccc2N(C)c2c1c(-c1ccccc1)nn2C MOL31629
-CCN1c2ccccc2-n2c(C)nnc2-c2c(-c3ccccc3)n[nH]c21 MOL31630
-CCn1nc(-c2ccccc2)c2c1N(C)c1ccccc1-n1c(-c3ccccc3)nnc1-2 MOL31631
-CCN(c1cccc(NC(=S)Nc2ccccc2N(CC)c2cc(-c3ccccc3)no2)c1)c1cc(-c2ccccc2)no1 MOL31632
-CC(CN(C)C)OCCn1c2c(c3ccccc31)CCCC2 MOL31633
-c1ccc2c(c1)c1c(n2CCOCCN2CCOCC2)CCCC1 MOL31634
-c1ccc2c(c1)c1c(n2CCOCCCN2CCCCC2)CCCC1 MOL31635
-CC1(CC2=C(Br)CCCC2)C(=O)CC=C1O MOL31636
-CCCC1(CCC)c2cc(C=NO)ccc2-c2ccc(-c3ccc(C(C)(C)C)cc3)cc21 MOL31637
-CCc1ccc2oc(-c3cc(O)c(-c4nc5cc(CC)ccc5o4)cc3O)nc2c1 MOL31638
-Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5o4)c(O)c3)oc2c1 MOL31639
-Cn1c(=O)c(Br)c(C=O)n(CCO[N+](=O)[O-])c1=O MOL31640
-NC(Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O.O=[N+]([O-])O MOL31641
-NC(Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O.O=[N+]([O-])O MOL31642
-CCC(C)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CN)C(C)O)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)O)C(C)O)C(C)C)C(C)C MOL31643
-CC(C)CC1NC(=O)CCC(NC(=O)C(Cc2ccc(O)cc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O MOL31644
-CC(=O)OCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCCOC(C)=O)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1 MOL31645
-NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCCNOC(=O)CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N1 MOL31646
-CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1C(=O)NCC(N)=O MOL31647
-CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCCC1C(=O)NCC(N)=O MOL31648
-CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NCC(N)=O MOL31649
-CC(C)(C)OC(=O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NCC(N)=O MOL31650
-NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCCNOC(=O)CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N1 MOL31651
-CC(C)SC(NC(=O)C1C(C)(C)CCC1(C)C)C(=O)O MOL31652
-CC(C)(C)OC(=O)NC1CCN(C2CCCCC2)C1=O MOL31653
-COC(=NC(C)C)NC(C)C MOL31654
-CC1(C)CCC(C)(C)C1C(=O)NC(O)C(=O)O MOL31655
-CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCC1 MOL31656
-CC(NC(=O)OC(C)(C)C)C(=O)C(N)=O MOL31657
-CC(NC(=O)C(C)(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O MOL31658
-CC(C)OC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NC(=O)C1C(C)(C)CCC1(C)C MOL31659
-CC(C)SC(C)(NC(=O)C1C(C)(C)CCC1(C)C)C(=O)O MOL31660
-CC(=O)N1C(=O)c2cc3ccccc3cc21 MOL31661
-O=C1OC(c2ccccc2)N(C(=O)c2ccccc2)C1Cc1ccc(OCc2ccccc2)cc1 MOL31662
-CCOC(=O)CC1(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1 MOL31663
-[Cl-].c1ccc(COc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 MOL31664
-O=C(NC1C(=O)NC(CCc2ccccc2)NC1=O)OCc1ccccc1 MOL31665
-CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O MOL31666
-CC(OC(C)(C)C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 MOL31667
-CC(OC(C)(C)C)C(NC(=O)C(N)CCCCNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O MOL31668
-COC(=O)C1(NC(=O)C(Cc2ccccc2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCC1 MOL31669
-CN(C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)CCCC1 MOL31670
-CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N(C)C1(C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)CCCC1 MOL31671
-CC(O)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2cn(C=O)c3ccccc23)C(=O)NC(CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(C(C)O)C(=O)N1)C(N)=O MOL31672
-CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NC(C(N)=O)C(C)O)C(C)O MOL31673
-CC(=O)O.CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1 MOL31674
-CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NC(C(N)=O)C(C)OCc1ccccc1)C(C)OCc1ccccc1 MOL31675
-CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NC(C(N)=O)C(C)OCc1ccccc1)C(C)OCc1ccccc1 MOL31676
-CC(OCc1ccccc1)C(NC(=O)C1CSSCC(NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2cn(C=O)c3ccccc23)C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)NC(C(C)OCc2ccccc2)C(=O)N1)C(N)=O MOL31677
-CC(=O)N(C)SCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1cn(C=O)c2ccccc12)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CSN(C)C(C)=O)C(=O)NO)C(C)OCc1ccccc1 MOL31678
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OCC2CC(C1OC(C)=O)N(Cc1ccccc1)O2 MOL31679
-COc1ccc2c(c1)OCC1(C)c3cc(O)c(OCc4ccccc4)cc3OC21 MOL31680
-COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1c3cc(O)c(OCc4ccccc4)cc3OC21 MOL31681
-COCC1c2cc(O)c(OCc3ccccc3)cc2OC1c1ccc(OC)cc1 MOL31682
-COc1ccc2c(c1)OCC1c3cc(O)c(OCc4ccccc4)cc3OC21C MOL31683
-CCN(CC)c1cc(OCc2ccccc2)cc2c1C1COc3cc(OC)ccc3C1O2.Cl MOL31684
-COc1ccc(C2Oc3cc(OCc4ccccc4)c(O)cc3C2C)c(OC)c1 MOL31685
-c1cn(C23C4C5C6C4C2C6C53)cn1 MOL31686
-c1c[nH]c(C23C4C5C6C4C2C6C53)n1 MOL31687
-c1ncc(C23C4C5C6C4C2C6C53)[nH]1 MOL31688
-c1ncn(C23C4C5C6C4C2C6C53)n1 MOL31689
-c1nncn1C12C3C4C5C3C1C5C42 MOL31690
-c1cnn(C23C4C5C6C4C2C6C53)c1 MOL31691
-c1n[nH]cc1C12C3C4C5C3C1C5C42 MOL31692
-COc1ccc(C2(O)C(S(=O)(=O)c3ccc(C)cc3)=Cc3ccc(OC)cc32)cc1 MOL31693
-Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3C2(O)c2cccc(C(F)(F)F)c2)cc1 MOL31694
-Cc1ccc(S(=O)(=O)C2=Cc3ccccc3C2(O)c2ccccc2)cc1 MOL31695
-CC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)NCC(=O)OCc1ccccc1 MOL31696
-CC(C)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1-c1ccccc1.Cl MOL31697
-Nc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1C=O MOL31698
-OCCCNCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 MOL31699
-C=CCc1c(C(O)CNC(C)C)ccc(OC)c1OCc1ccccc1.CC(=O)O MOL31700
-OCCCN(Cc1ccccc1)CC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 MOL31701
-CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O MOL31702
-CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O MOL31703
-CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)OCc1ccccc1 MOL31704
-CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)O MOL31705
-CC(OC(C)(C)C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCC2NC(=O)C(Cc2ccccc2)NC1=O MOL31706
-CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCC2NC(=O)C(Cc2ccccc2)NC1=O.O=C(O)C(F)(F)F MOL31707
-CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(Cc1ccccc1)C(=O)NC1CCCC1C(=O)OCc1ccccc1 MOL31708
-CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCC1NC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(N)=O MOL31709
-CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCC1NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F MOL31710
-CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC1CCC(C(=O)O)C1 MOL31711
-CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(NC(=O)C(Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C1)C(N)=O MOL31712
-CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(NC(=O)C(N)Cc2ccc(O)cc2)C1)C(N)=O.Cl MOL31713
-COC(=O)C1(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(C)OC(C)(C)C)CCCC1 MOL31714
-CC(OC(C)(C)C)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC1(C(=O)O)CCCC1 MOL31715
-CC(OC(C)(C)C)C1NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)C(Cc2ccccc2)NC1=O MOL31716
-NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)C(F)(F)F MOL31717
-NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O MOL31718
-NC(=O)CC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O MOL31719
-CC(OC(C)(C)C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C(N)CCCCNC(=O)OC(C)(C)C)C(C)OC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CSC(C)(C)C)C(=O)OC(C)(C)C MOL31720
-CC(C)CC1C(=O)NCCC(NC(=O)C(Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O MOL31721
-CC(C)CC1C(=O)NCCC(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)NC1=O.O=C(O)C(F)(F)F MOL31722
-CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC(=O)OCc2ccccc2)CCNC1=O MOL31723
-COC(=O)C1CC1NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL31724
-CC(C)(C)OC(=O)CC(NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1C(=O)OCc1ccccc1 MOL31725
-COC(=O)C(C)(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1ccccc1 MOL31726
-COC(=O)C(NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C1CCCCC1 MOL31727
-CC(C)(C)COC(=O)C(C)(C)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 MOL31728
-Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)cc3)s2)cc1 MOL31729
-S=c1sc2c(s1)SCCS2 MOL31730
-CC(NNC(=O)c1ccncc1)c1ccccc1 MOL31731
-CC(NNC(=O)c1ccncc1)c1cccc(C(F)(F)F)c1 MOL31732
-CC(NNC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1 MOL31733
-CC(NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl MOL31734
-COc1ccc(C(C)NNC(=O)c2ccncc2)cc1F MOL31735
-COc1ccc(C(C)NNC(=O)c2ccncc2)c(OC)c1 MOL31736
-COc1ccc(C(C)NNC(=O)c2ccncc2)cc1OC MOL31737
-C[N+](C)(O)CCNC(=O)c1cccc2cc3ccccc3nc12.Cl.[Cl-] MOL31738
-CNC(=O)OCc1cc(C(=O)NCCCNCCCNC(=O)c2ccc([N+](=O)[O-])c(COC(=O)NC)c2)ccc1[N+](=O)[O-].Cl MOL31739
-CC(C)(CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)[N+](C)(C)[O-].Cl MOL31740
-CCOP(=O)(OCC)C(C#N)=Cc1cnc[nH]1 MOL31741
-CCOP(=O)(OCC)C(C#N)=Cc1[nH]cnc1C MOL31742
-CCOP(=O)(OCC)C(C#N)=Cc1cnc(C)[nH]1 MOL31743
-CCOP(=O)(OCC)C(C#N)=Cc1cccn1N(C)C MOL31744
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(-c2ccc(F)cc2F)o1 MOL31745
-CCOP(=O)(OCC)C(C#N)=Cc1cnc(-c2ccccc2)[nH]1 MOL31746
-CCOP(=O)(OCC)C(C#N)=Cc1ncc[nH]1 MOL31747
-N#CC=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 MOL31748
-CCOC(=O)C(C#N)=Cc1ccc(SCc2ccco2)c([N+](=O)[O-])c1 MOL31749
-CCOP(=O)(OCC)C(C#N)=Cc1coc2cc(C)cc(C)c2c1=O MOL31750
-CCOC(=O)C(C#N)=Cc1coc2cc(C)cc(C)c2c1=O MOL31751
-C=CC1ON(C)CCc2cc(OC)c(OC)cc21 MOL31752
-C=CC1ON(Cc2ccccc2)CCc2cc(OC)c(OC)cc21 MOL31753
-C=C(c1ccccc1)C1ON(C)CCc2cc(OC)c(OC)cc21 MOL31754
-COc1cc2c(cc1OC)C(C1CC1)ON(C)CC2 MOL31755
-COc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1OC MOL31756
-COc1cc(Nc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC MOL31757
-O=C(O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1 MOL31758
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC MOL31759
-CCOC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1 MOL31760
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(OC)c(OC)c1 MOL31761
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1cc(OC)c(OC)c(OC)c1 MOL31762
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Nc1ccc(Cl)c(Cl)c1 MOL31763
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)c(OC)c1 MOL31764
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1cc(OC)c(OC)c(OC)c1 MOL31765
-CCOC(=O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)OCC)cc1 MOL31766
-COc1ccc2nc(-c3ccccc3)c(O)nc2c1 MOL31767
-Oc1nc2ccc(C(F)(F)F)cc2nc1-c1ccccc1 MOL31768
-CC1(CF)SCc2nc3ccccc3n21 MOL31769
-FC(F)(F)C1(c2ccccc2)SCc2nc3ccccc3n21 MOL31770
-O=C1OC2=CC(=Cc3ccccc3)C(=O)c3cccc1c32 MOL31771
-O=C1OC2=CC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)c3cccc1c32 MOL31772
-O=C1OC2=CC(=Cc3ccccn3)C(=O)c3cccc1c32 MOL31773
-O=C1Oc2cc3c(c4cccc1c24)OC(c1ccccc1)C(c1ccccc1)C3c1ccc(Cl)cc1 MOL31774
-O=c1c2c3c(sc2nc2n1N=C(c1ccc(Br)cc1)CS2)CCCC3 MOL31775
-COC(=O)c1c([N+](=O)[O-])ncn1C1OCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL31776
-O=C1OC2(C(F)(F)F)Oc3ccccc3CN2C12CCCCC2 MOL31777
-Cc1ccc(CC[PH](=O)CCc2ccc(C)nc2)cn1 MOL31778
-Clc1cccc(-c2nc3cccc4c3n2Cc2ncccc2-4)c1 MOL31779
-CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)OC1(C)OC(=O)c2ccc(C(F)(F)F)cc2O1 MOL31780
-CCOC(=N)n1c(=O)n(C2=NCCN2)c2ccccc21 MOL31781
-NC(CCC(=O)NC(Cc1ccccc1)C(=O)NCP(=O)(O)O)C(=O)O MOL31782
-NC(CCC(=O)NCP(=O)(O)O)C(=O)O MOL31783
-NC(CCC(=O)NCP(=O)(O)O)C(=O)O MOL31784
-Cc1cccc(N(CCC#N)S(=O)(=O)c2ccccc2)c1 MOL31785
-Cc1cc(N)ccc1C=O MOL31786
-CC(C1CCC2(C)C3CCC4C(=CC3=CCC12C)CCC(N(C)C)C4(C)C)N(C)C MOL31787
-O=CCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O MOL31788
-CN(C)CCc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O MOL31789
-O=C1c2ccccc2-c2nccc3c2c1nc1ccccc13 MOL31790
-CC(C)Cn1cnc2c(Cl)nc3ccccc3c21 MOL31791
-CCN(CC)CCCNc1nc2ccccc2c2c1ncn2CC(C)C MOL31792
-CC(C)Cn1cnc2c(NCC(C)O)nc3ccccc3c21 MOL31793
-CCCCNc1nc2ccccc2c2c1ncn2CC(C)C MOL31794
-Nc1ncnc2c1ncn2C1CC1CO MOL31795
-Nc1ncnc2c1ncn2C1CC1CO MOL31796
-CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.[NaH] MOL31797
-CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.[NaH] MOL31798
-CCCCCCCCCCCCCCCCOCC(Cl)CP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O.[NaH] MOL31799
-CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL31800
-CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O.[NaH] MOL31801
-COc1cc(NC=O)c2c(c1)SC(c1ccccc1)C(=O)N2 MOL31802
-COc1cc2c3c(c1)nnn3C(=O)C(c1ccccc1)S2 MOL31803
-COc1cc2c3c(c1)SC(c1ccccc1)C(=O)N3CCN2 MOL31804
-COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CCS2 MOL31805
-COc1cc(N)c2c(c1)SCCC(=O)N2 MOL31806
-COc1cc(NC=O)c2c(c1)SC(C)C(=O)N2 MOL31807
-COc1cc2c3c(c1)nnn3C(=O)C(C)S2 MOL31808
-COc1cc(N)c2c(c1)SC(c1ccccc1)C(=O)N2 MOL31809
-COc1cc2c3c(c1)[nH]c(=S)n3C(=O)C(c1ccccc1)S2 MOL31810
-COc1cc2c3c(c1)nc(C)n3C(=O)C(c1ccccc1)S2 MOL31811
-Cc1coc2c1C(O)C1(C)C(C)CCCC1C2 MOL31812
-CC=C(C)C(=O)OC1c2c(C)coc2CC2CCC(O)C(C)C21C MOL31813
-Cc1coc2c1CC1(C)C(C)CCCC1C2O MOL31814
-CC=C(C)C(=O)OC1CC(C)C2(C)Cc3c(C)coc3C(O)C2C1 MOL31815
-CSC=CC(=O)OC1CC(C)C2(C)Cc3c(C)coc3C(O)C2C1 MOL31816
-CCOP(=O)(OCC)C(C#N)=Cc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 MOL31817
-CCOP(=O)(OCC)C(C#N)=Cc1nccn1C MOL31818
-CSc1nc(NC2CCCC2)c2cc[nH]c2n1 MOL31819
-CSc1nc(O)c2cc[nH]c2n1 MOL31820
-CCC(C=Cc1ccccc1)=NNC(=S)NN=C(C=Cc1ccccc1)CC MOL31821
-COC(=O)c1cc(CN(C)C)c(O)c(CN(C)C)c1.Cl MOL31822
-Cc1nc(C)c(N2CCNCC2)c(O)n1 MOL31823
-Cc1nc(C)c(N2CCN(Cc3ccccc3)CC2)c(O)n1 MOL31824
-Cc1nc(C)c(N2CCN(C#N)CC2)c(O)n1 MOL31825
-Cc1nc(C)c(N2CCN(C(=O)O)CC2)c(O)n1 MOL31826
-CCOC(=O)N1CCN(c2c(C)nc(C)nc2O)CC1 MOL31827
-Cc1nc(C)c(N2CCN(CN)CC2)c(O)n1 MOL31828
-Cc1nc(C)c(N2CCN(S(N)(=O)=O)CC2)c(O)n1 MOL31829
-Cc1nc(C)c(N2CCN(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c(O)n1 MOL31830
-Cc1nc(C)c(N2CCN([N+](=O)[O-])CC2)c(O)n1 MOL31831
-CCOC(=O)CCC(NC(=O)N1CCN(c2c(C)nc(C)nc2O)CC1)C(=O)OCC MOL31832
-Cc1nc(C)c(N2CCN(C(=O)NC(CCC(=O)O)C(=O)O)CC2)c(O)n1 MOL31833
-Cc1nc(N)c(N2CCNCC2)c(O)n1 MOL31834
-Cc1nc(N)c(N2CCN(Cc3ccccc3)CC2)c(O)n1 MOL31835
-Cc1nc(N)c(N2CCN(C#N)CC2)c(O)n1 MOL31836
-Cc1nc(N)c(N2CCN(C(=O)O)CC2)c(O)n1 MOL31837
-CCOC(=O)N1CCN(c2c(N)nc(C)nc2O)CC1 MOL31838
-Cc1nc(N)c(N2CCN(CN)CC2)c(O)n1 MOL31839
-Cc1nc(N)c(N2CCN(S(N)(=O)=O)CC2)c(O)n1 MOL31840
-Cc1nc(N)c(N2CCN(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c(O)n1 MOL31841
-Cc1nc(N)c(N2CCN([N+](=O)[O-])CC2)c(O)n1 MOL31842
-CC(=O)N1c2ccccc2C2=NN=C(N(C)C)SC21 MOL31843
-CC(=O)N1c2ccccc2C2=NN(C)C(=N)SC21 MOL31844
-CC(C)c1c(P(=O)(c2ccccc2)c2ccccc2)n(C)c2ccccc12 MOL31845
-O=C(c1ccccc1)N1N=C(C(F)(F)F)CC1(O)C(F)(F)F MOL31846
-O=C(O)c1cc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)c(C(=O)O)c2)ccc1N=Nc1c(O)cc(O)cc1C(=O)O MOL31847
-O=C(O)c1cc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)c(C(=O)O)c2)ccc1N=Nc1c(O)cc(O)cc1C(=O)O.[NaH] MOL31848
-O=Cc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(C=O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH] MOL31849
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCn4ccc(CO)c4CO)cn3C)cn2C)cn1C MOL31850
-CC(=O)Oc1ccc(-c2cc3ccccc3oc2=O)cc1OC(C)=O MOL31851
-CC(=O)Oc1ccc2cc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)c(=O)oc2c1 MOL31852
-CC(=O)Oc1ccc(-c2cc3ccccc3oc2=O)cc1 MOL31853
-CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)cc1 MOL31854
-CC(=O)Oc1ccccc1-c1cc2ccccc2oc1=O MOL31855
-CC(=O)Oc1ccc2cc(-c3ccccc3OC(C)=O)c(=O)oc2c1 MOL31856
-O=[N+]([O-])C(C(Cl)=C(Cl)Br)=C(N1CCOCC1)N1CCOCC1 MOL31857
-O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)C(Cl)=C(Cl)Br MOL31858
-Cc1ccc(NC(Nc2ccc(C)cc2C)=C(C=C(Cl)[N+](=O)[O-])[N+](=O)[O-])c(C)c1 MOL31859
-CC1C2CC(CC23OCC(CCl)O3)C1(C)C MOL31860
-CC1C2CC(C(S(=O)(=O)N3CCOCC3)C2=NO)C1(C)C MOL31861
-N#CSC(C(Cl)=C(Cl)Cl)=C(Cl)[N+](=O)[O-] MOL31862
-Cc1ccc(NC(Nc2ccc(C)cc2C)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1 MOL31863
-O=[N+]([O-])C(=C(NCc1ccccc1)NCc1ccccc1)C(Cl)=C(Cl)Cl MOL31864
-O=C(C(Cl)=C(Nc1ccccc1)Nc1ccccc1)C(Cl)Cl MOL31865
-O=C(C(Cl)=C(N1CCCCC1)N1CCCCC1)C(Cl)Cl MOL31866
-O=C(C(Cl)=C(N1CCOCC1)N1CCOCC1)C(Cl)Cl MOL31867
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)N1CCCCC1 MOL31868
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(Sc1ccccc1)N1CCOCC1 MOL31869
-O=[N+]([O-])C(=C(Nc1ccccc1)Sc1ccccc1)C(Cl)=C(Cl)Cl MOL31870
-O=[N+]([O-])C(Cl)=CC(=C1Nc2ccccc2N1)[N+](=O)[O-] MOL31871
-O=[N+]([O-])C(Cl)=CC(=C1Nc2ccccc2O1)[N+](=O)[O-] MOL31872
-O=[N+]([O-])C(C(Cl)=C(Cl)Br)=C(N1CCCCC1)N1CCCCC1 MOL31873
-O=C(Cc1nccc2c1[nH]c1ccccc12)OC1C#CCSCC#CC=C1 MOL31874
-COc1ccc2c(c1)OCC1c3cc(NC(=O)c4ccccc4)c(OCc4ccccc4)cc3N(S(=O)(=O)c3ccccc3)C21 MOL31875
-COc1ccc2c(c1)OCC1c3cc(NC(=O)c4ccccc4)c(OC)cc3N(S(=O)(=O)c3ccccc3)C21 MOL31876
-O=C(Nc1cc2c(cc1OCc1ccccc1)N(S(=O)(=O)c1ccccc1)C1c3ccccc3OCC21)c1ccccc1 MOL31877
-COc1ccc2c(c1)OCC1c3cc(NS(=O)(=O)c4ccccc4)cc(OC)c3OC21 MOL31878
-COc1ccc2c(c1)OCC1c3cc(NS(=O)(=O)c4ccccc4)cc(OCc4ccccc4)c3OC21 MOL31879
-Cc1cc2c(cc1Cl)S(=O)(=O)OC(c1ccc([N+](=O)[O-])cc1)=N2 MOL31880
-Cc1ccc(C2=Nc3cc(C)c(Cl)cc3S(=O)(=O)NN2)cc1 MOL31881
-Br.C(=NNC1=NCCN1)c1cccc2cc3ccncc3nc12 MOL31882
-CCCCNC1CCC2(SCCS2)c2[nH]c3ccccc3c21 MOL31883
-CCCCN(C(=O)c1ccccc1)C1CCC(=O)c2[nH]c3ccccc3c21 MOL31884
-COC(C)(C)C1CCCN1C1=C(C)C(=O)OC1 MOL31885
-Cn1c(=O)oc2cc(C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c(Cl)cc21 MOL31886
-Cn1c(=O)oc2cc(C(O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 MOL31887
-Cn1c(=O)oc2cc(C(O)CN3CCN(Cc4ccccn4)CC3)c(Cl)cc21 MOL31888
-COc1ccc2c(c1)C(=O)C1(C2)C(c2ccccc2)C2C(=O)c3cc(OC)ccc3C2C1c1ccccc1 MOL31889
-Cc1ccc2c(c1)CC1(C2=O)C(c2ccccc2)C2C(=O)c3ccc(C)cc3C2C1c1ccccc1 MOL31890
-COc1cc2c(cc1OC)C(=O)C1(C2)C(c2ccccc2)C2C(=O)c3cc(OC)c(OC)cc3C2C1c1ccccc1 MOL31891
-COc1cc(C2C3C(=O)c4ccccc4C3C(c3cc(OC)c(OC)c(OC)c3)C23Cc2ccccc2C3=O)cc(OC)c1OC MOL31892
-OC1CN=C2c3ccccc3C(O)(c3ccc(Cl)cc3)N2C1 MOL31893
-CC1(C)COC(c2cccc(C(O)c3ccc(Cl)cc3)c2)=N1 MOL31894
-CC1(C)COC(c2ccc(C(=O)c3ccc(Cl)cc3)cc2)=N1 MOL31895
-CC(C)(C)Cc1cc(O)ccc1O MOL31896
-CC(C)(Cc1ccccc1)Cc1cc(O)ccc1O MOL31897
-NCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1 MOL31898
-COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C MOL31899
-COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C MOL31900
-COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C MOL31901
-COc1ccc(C(=NO)c2ccccc2C2=Nc3ccccc3C(NCc3ccccc3)O2)cc1C MOL31902
-COc1ccc(C(=NO)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C MOL31903
-COc1c(C(=O)C(=NNc2ccc(C(=O)O)cc2)C(C)=O)c(O)cc2occc12 MOL31904
-COc1c(C(=O)C(=NNc2cccc(Cl)c2)C(C)=O)c(O)c(OC)c2occc12 MOL31905
-COc1c(C(=O)C(=NNc2ccccc2)C(C)=O)c(O)c(OC)c2occc12 MOL31906
-COc1ccc(N=Nc2c(-c3c(OC)cc4occc4c3OC)nc(O)c(C#N)c2C)cc1 MOL31907
-COc1c(-c2cc(C)c(Cl)c(O)n2)c(O)c(OC)c2occc12 MOL31908
-O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2)cc1 MOL31909
-O=C(O)c1cc(O)cc(O)c1N=Nc1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2)cc1.[NaH] MOL31910
-O=C(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1C(=O)O.[NaH] MOL31911
-O=C(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C=Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1C(=O)O.[NaH] MOL31912
-Cc1cn(C2CC(O)C3(CO)CC23)c(=O)[nH]c1=O MOL31913
-Nc1ncnc2c1ncn2C1CC(O)C2(CO)CC12 MOL31914
-Cc1cc(=O)oc2c(CNC(CC(C)C)C(=O)O)c(O)ccc12 MOL31915
-Cc1cc(=O)oc2c(CNC(C)C(=O)O)c(O)ccc12 MOL31916
-Cc1cc(=O)oc2c(CNC(Cc3ccccc3)C(=O)O)c(O)ccc12 MOL31917
-Cc1cc(=O)oc2c(CNC(CO)C(=O)O)c(O)ccc12 MOL31918
-Cc1cc(=O)oc2c(CNC(C(=O)O)C(C)O)c(O)ccc12 MOL31919
-CSCCC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O MOL31920
-CC(C)C(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O MOL31921
-CC(NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O MOL31922
-O=C(O)C(Cc1ccccc1)NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12 MOL31923
-CSCCC(NCc1c(O)ccc2ccc(=O)oc12)C(=O)O MOL31924
-CC(NCc1c(O)ccc2ccc(=O)oc12)C(=O)O MOL31925
-O=C(NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(OCc2ccccc2)c1OCc1ccccc1 MOL31926
-O=C(NCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL31927
-O=C(NCCCNCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1cc(-c2ccccc2)nc2ccccc12 MOL31928
-Cl.NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 MOL31929
-COc1ccc2nc3cc(Cl)ccc3c(NCCNCCCNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1 MOL31930
-O=C(NCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cccc(O)c1O MOL31931
-COc1ccc(SCc2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 MOL31932
-COc1ccc(SCc2cc(OC)ccc2OC)cc1 MOL31933
-Oc1ccc(SCc2cc(O)ccc2O)cc1 MOL31934
-COc1ccc(S(=O)Cc2cc(OC)ccc2OC)cc1 MOL31935
-COc1cc(CSc2ccc(O)cc2)cc(OC)c1OC MOL31936
-COc1cc(CS(=O)c2ccc(O)cc2)cc(OC)c1OC MOL31937
-COc1cc(CSc2ccc(O)cc2)cc(O)c1O MOL31938
-Oc1ccc(SCc2cc(O)c(O)c(O)c2)cc1 MOL31939
-COc1ccc(SCc2cc(OC)c(OC)c(OC)c2)cc1OC MOL31940
-COc1ccc(OC)c(CSc2ccc(OC)c(OC)c2)c1 MOL31941
-COc1ccc(CSCc2cc(OC)c(OC)c(OC)c2)cc1 MOL31942
-Cc1nc2ccc(Cl)cc2c(Cl)c1CCCl MOL31943
-Cc1nc2c(Cl)cc(Cl)cc2c(Cl)c1CCCl MOL31944
-COc1cc(OC)c2nc(C)c(CCCl)c(Cl)c2c1 MOL31945
-O=C1Cc2c([nH]c3c(Br)cccc23)-c2ccccc2N1 MOL31946
-O=C1CC(C(CC(=O)c2ccccc2)c2ccccc2)C(=O)c2ccccc2N1 MOL31947
-O=C1Cc2c(-c3ccccc3)cc(-c3ccccc3)nc2-c2ccccc2N1 MOL31948
-CSC1=Nc2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c2C1 MOL31949
-CC[N+]1(CC)CCN2CCN[Co-4]213([N+](=O)[O-])[O+]=C(C)C=C(C)[OH+]3.[O-][Cl+3]([O-])([O-])O MOL31950
-C#CCOCC12C=CC(O1)C1C(=O)OCC12 MOL31951
-C#CCOCC12C=CC(O1)C1COC(=O)C12 MOL31952
-C#CCOCC12C=CC(O1)C1C(=O)N(C)C(=O)C12 MOL31953
-COC(=O)CCC12CCC(O1)c1ccccc12 MOL31954
-C#CCOCC12C=CC(O1)C1C(=O)N(C)C(=O)C12 MOL31955
-O=[N+]([O-])c1cc(Cl)cc2cc(Br)cnc12 MOL31956
-O=[N+]([O-])c1cc(Br)cc2cc(Cl)cnc12 MOL31957
-Oc1cc(F)cc2cccnc12 MOL31958
-Oc1c(Cl)ccc2cccnc12 MOL31959
-Oc1c(Br)ccc2cccnc12 MOL31960
-Oc1cc(Cl)cc2cccnc12 MOL31961
-Oc1cc(Br)cc2cccnc12 MOL31962
-Oc1cccc2c(Cl)ccnc12 MOL31963
-Oc1cccc2c(Br)ccnc12 MOL31964
-Oc1cccc2cc(Cl)cnc12 MOL31965
-Oc1cccc2cc(Br)cnc12 MOL31966
-Oc1cccc2ccc(Br)nc12 MOL31967
-O=[N+]([O-])c1cc(Cl)cc2cc(Cl)cnc12 MOL31968
-Nc1cccc2cc(Cl)cnc12 MOL31969
-Nc1cc(Cl)cc2cc(Cl)cnc12 MOL31970
-Oc1cc(Cl)cc2cc(Cl)cnc12 MOL31971
-Oc1cc(Br)cc2cc(Br)cnc12 MOL31972
-Oc1cc(Cl)cc2cc(Br)cnc12 MOL31973
-Oc1cc(Br)cc2cc(Cl)cnc12 MOL31974
-Cn1c(=O)c2c([nH]c(=N)n2C2OC(CO)C(O)C2O)n(C)c1=O MOL31975
-CC(=O)OCC1OC(n2c(Br)nc3c2c(=O)n(C)c(=O)n3C)C(OC(C)=O)C1OC(C)=O MOL31976
-O=C(Nc1noc(-c2ccccc2)n1)c1ccccc1CNc1noc(-c2ccccc2)n1 MOL31977
-Cn1c(=O)c2nc(N=Nn3ccc4ccccc43)[nH]c2n(C)c1=O MOL31978
-CC(C)C1ON1C(C)c1ccccc1 MOL31979
-COC(=O)C1C(C(C)C)OC(C(C)C)OC1C(F)(F)F MOL31980
-O=C(O)C1C(C2CCCCC2)OC(C2CCCCC2)OC1C(F)(F)F MOL31981
-C(=CN1CCCCC1)c1nnnn1-c1ccccc1 MOL31982
-CN(C)C=Cc1nnnn1-c1ccc(I)cc1 MOL31983
-C(=Cc1nnnn1-c1ccccc1)Nc1ccccc1 MOL31984
-CNc1ncc(-c2nnnn2-c2ccccc2)c(CN(C)C)n1 MOL31985
-Cc1ncc(-c2nnnn2-c2ccccc2)c(C(=O)O)n1 MOL31986
-O=C(O)c1nc(-c2ccccc2)ncc1-c1nnnn1-c1ccccc1 MOL31987
-NC(=O)C1CCCN1C(=O)N(CCCl)N=O MOL31988
-CC(C)(O)C1=CC=CCCCCCCCCCC1 MOL31989
-COC(=O)C=CCCC#Cc1ccccc1C#CCCC=CC(=O)OC MOL31990
-COc1ccc2c(c1)CCCN1Cc3ccccc3CC21 MOL31991
-COc1ccc2c(c1)CCCN1Cc3cc(OC)c(OC)cc3CC21 MOL31992
-COc1cc2c(cc1OC)CN1CCCc3cc(OC)c(OC)cc3C1C2 MOL31993
-c1ccc2c(c1)CCCN1CCc3ccccc3C21 MOL31994
-COc1cc2c(cc1OC)C1c3ccccc3CCCN1CC2 MOL31995
-Cl.c1ccc2c(c1)CCN1CCc3ccccc3C1C2 MOL31996
-COc1ccc2c(c1)CCN1CCc3ccccc3CC21 MOL31997
-COc1cc2c(cc1OC)C1Cc3ccccc3CCN1CC2 MOL31998
-COc1cc(C2c3cc4c(cc3C(O)C3CCC(=O)N23)OCO4)cc(OC)c1OC MOL31999
-COc1ccc(C2c3cc4c(cc3C(O)C3CCC(=O)N23)OCO4)cc1 MOL32000
-O=C1CCC2C(O)c3cc4c(cc3C(c3ccc5c(c3)OCO5)N12)OCO4 MOL32001
-COc1cc2c(c(O)c1OC)C(O)C1CCC(=O)N1C2c1ccc2c(c1)OCO2 MOL32002
-COc1cc(C2c3cc4c(c(O)c3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1OC MOL32003
-COc1ccc2c(c1)C(=O)C1CCC(=O)N1C2c1ccc2c(c1)OCO2 MOL32004
-COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2c1ccccc1 MOL32005
-COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2 MOL32006
-COc1cc(C(c2ccc3c(c2)OCO3)N2C(=O)CCC2C(=O)O)cc(OC)c1OC MOL32007
-COc1ccc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CCC2C(=O)O)cc1 MOL32008
-COc1cc(C(c2ccccc2)N2C(=O)CCC2C(=O)O)cc(OC)c1OC MOL32009
-COc1ccc(C(c2ccccc2)N2C(=O)CCC2C(=O)O)cc1OC MOL32010
-COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CCC2C(=O)O)cc1 MOL32011
-COc1ccc(C(c2ccc3c(c2)OCO3)N2C(=O)CCC2C(=O)O)cc1 MOL32012
-O=C(O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 MOL32013
-COC(=O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 MOL32014
-COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1cc(OC)c(OC)c(OC)c1 MOL32015
-COC(=O)C1CCC(=O)N1C(c1ccccc1)c1cc(OC)c(OC)c(OC)c1 MOL32016
-COC(=O)C1CCC(=O)N1C(c1ccccc1)c1ccc(OC)c(OC)c1 MOL32017
-COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1 MOL32018
-COC(=O)C1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc2c(c1)OCO2 MOL32019
-COC(=O)C1CCC(=O)N1C(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 MOL32020
-COc1cc(C(O)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL32021
-COc1ccc(C(O)c2ccc3c(c2)OCO3)cc1 MOL32022
-OC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 MOL32023
-O=C(Oc1ccc(OC(Oc2ccccc2)c2ccccc2)cc1)c1ccccc1 MOL32024
-CC(=O)Oc1ccc(OC(Oc2ccccc2)c2ccccc2)cc1 MOL32025
-CN1C(=O)C(c2c[nH]c3ccccc23)N(C)C(=O)C1c1c[nH]c2ccccc12 MOL32026
-C=CCc1oc(C)nc1CCCC MOL32027
-CCCCc1nc(C)oc1C(C)C MOL32028
-Cc1nc(C)c(Cc2ccccc2)o1 MOL32029
-Cc1nc(N(C(C)C)C(C)C)c(C(C)C)o1 MOL32030
-CN1CC(=Cc2ccccc2[N+](=O)[O-])C(=O)C(=Cc2ccccc2[N+](=O)[O-])C1 MOL32031
-CC(=O)Nc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12 MOL32032
-CCNc1cc2c(cc1O)CCC1C2CCC2(C)C(O)CCC12 MOL32033
-O=C(O)CSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCC(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH] MOL32034
-O=C(O)CCSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCCC(=O)O)c5cccnc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ncccc12.[NaH] MOL32035
-CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 MOL32036
-S=C(NN=Cc1ccccn1)NN=Cc1ccccn1 MOL32037
-CCNC(=S)NN=C(C)c1ccccn1 MOL32038
-Cc1cc(N=C2C=C(O)C(=O)c3ccccc32)no1 MOL32039
-Cc1cnoc1N=C1C=C(O)C(=O)c2ccccc21 MOL32040
-Cc1oncc1N=C1C=C(O)C(=O)c2ccccc21 MOL32041
-Cc1noc(N=C2C=C(O)C(=O)c3ccccc32)c1C MOL32042
-Cc1ccc(S(=O)(=O)OC2=CC(=Nc3onc(C)c3C)c3ccccc3C2=O)cc1 MOL32043
-CC(CN(C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL32044
-CC(C)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL32045
-CCCCCCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL32046
-O=[N+]([O-])c1cccc2nc3ccccc3c(NCCNCCO)c12 MOL32047
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCN(CCO)CCO)c2c1 MOL32048
-CCCCCCNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12 MOL32049
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCO)c2c1 MOL32050
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCNCCN(C)C)c2c1 MOL32051
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCO)c2c1 MOL32052
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NC(C)CN(C)C)c2c1 MOL32053
-COc1ccc2nc3cccc([N+](=O)[O-])c3c(NCCCCCC(=O)O)c2c1 MOL32054
-CNCCCNc1c2cc(OC)ccc2nc2cccc([N+](=O)[O-])c12 MOL32055
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCCCN(C)C)c2c1 MOL32056
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCO)c2c1 MOL32057
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(CCO)CCO)c2c1 MOL32058
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NCCCN(C)C)c2c1 MOL32059
-COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 MOL32060
-CCCNC(C#N)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)NCCC)cc2)cc1 MOL32061
-CC1(C#N)N(C(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 MOL32062
-CC1CC2(C)ON=C(c3ccccc3)N2c2ccccc2S1 MOL32063
-Brc1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 MOL32064
-COc1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 MOL32065
-Cc1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 MOL32066
-O=[N+]([O-])c1ccc(C2CC3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 MOL32067
-c1ccc(C2=NOC3(c4ccccc4)CC(c4cccs4)Sc4ccccc4N23)cc1 MOL32068
-O=S1(=O)c2ccccc2N2C(c3ccccc3)=NOC2(c2ccccc2)CC1c1ccc(Br)cc1 MOL32069
-CCCCNC(=S)NN=Cc1cccc(C)n1 MOL32070
-CC(=NNC(=S)NN=C(C)c1ccccn1)c1ccccn1 MOL32071
-CC(=NNC(=O)NN=C(C)c1ccccn1)c1ccccn1 MOL32072
-CCN(CC)C(=S)NN=C(C)c1cccc(C)n1 MOL32073
-CCNC(=S)NN=C(C)c1cccc(C)n1 MOL32074
-CC(=NNC(=S)N1CCCCC1)c1cccc(C)n1 MOL32075
-CCNC(=S)NN=Cc1ccccn1 MOL32076
-CCN(CC)C(=S)NN=Cc1ccccn1 MOL32077
-CCNC(=S)NN=Cc1cc(OC)ccc1O MOL32078
-CCNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O MOL32079
-CCN(CC)C(=S)NN=Cc1cc(OC)ccc1O MOL32080
-CCN(CC)C(=S)NN=Cc1cc([N+](=O)[O-])ccc1O MOL32081
-CC(C=Cc1ccccc1)=NNC(=S)NN=C(C)C=Cc1ccccc1 MOL32082
-O=C(O)c1cc(N=Nc2c(O)cc(O)cc2C(=O)O)ccc1C=Cc1ccc(N=Nc2c(O)cc(O)cc2C(=O)O)cc1C(=O)O MOL32083
-COCCOCCOCCOc1ccc(C(C#N)N(CCc2ccccc2)C(=O)c2cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)cc(C(=O)N(CCc3ccccc3)C(C#N)c3ccc(OCCOCCOCCOC)cc3)c2)cc1 MOL32084
-Cc1ccc(S(=O)(=O)NN=C2C3CC4CCC2C4C3)cc1 MOL32085
-Cc1ccc(S(=O)(=O)NN=C2CC3CC4CCC2C4C3)cc1 MOL32086
-Cc1ccc(S(=O)(=O)NN=C2CC3CCC4CC2CC34)cc1 MOL32087
-C=C1CCCCCCCCCCC12SCCCS2 MOL32088
-C1CCCCCC2=C(CCCC1)CSCCCS2 MOL32089
-CS(=O)(=O)Nc1ccc2ccccc2c1 MOL32090
-NC(=O)NN=C1CC2C3CC4C2C4C13 MOL32091
-CS(=O)(=O)NC12CCC(c3ccccc31)c1ccccc12 MOL32092
-COC1(OC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C1COCC12 MOL32093
-O=C1C2C=CC1C1C(=O)OC(=O)C21 MOL32094
-CCOC1(OCC)C2C=CC1C(COS(=O)(=O)c1ccc(C)cc1)C2COS(=O)(=O)c1ccc(C)cc1 MOL32095
-COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C(N)=O.O=S(=O)(O)O MOL32096
-CC(=N)OC1CC2CCC1(C)C2(C)C.Cl MOL32097
-N#CN1C2CCC1CC(=O)C2 MOL32098
-O=S(=O)(Nc1ccccc1Cl)c1ccccc1 MOL32099
-Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2C)cc1 MOL32100
-Cc1ccc(S(=O)(=O)NN=C2C(C)CC(C(C)(C)C)CC2C)cc1 MOL32101
-Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2Br)cc1 MOL32102
-Cc1cc(S(=O)(=O)Nc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(S)cc1Cl MOL32103
-Cc1cc(S(=O)(=O)Nc2nnc3c(C(F)(F)F)cc(Cl)cn23)c(S)cc1Cl MOL32104
-Cc1cc(S(=O)(=O)Nc2nnc3cc(C(F)(F)F)cc(C)n23)c(S)cc1Cl MOL32105
-Cc1ccc2nnc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n2n1 MOL32106
-Cc1cc(S(=O)(=O)Nc2nnc3c4ccccc4cnn23)c(S)cc1Cl MOL32107
-Cc1cc(S(=O)(=O)Nc2nnc3cnc4ccccc4n23)c(S)cc1Cl MOL32108
-Cc1cc(S(=O)(=O)Nc2nc(-c3ccccn3)n[nH]2)c(S)cc1Cl MOL32109
-Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cn3)n[nH]2)c(S)cc1Cl MOL32110
-Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3ccccc3)[nH]2)c(S)cc1Cl MOL32111
-Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3ccccn3)[nH]2)c(S)cc1Cl MOL32112
-Cc1cc(C(F)(F)F)cc(-n2[nH]c(NS(=O)(=O)c3cc(C)c(Cl)cc3S)nc2=N)n1 MOL32113
-Cc1cc(S(=O)(=O)Nc2nc(=N)n(-c3cnc4ccccc4n3)[nH]2)c(S)cc1Cl MOL32114
-CNC(=NN)NS(=O)(=O)c1cc(C)c(Cl)cc1S MOL32115
-Cc1cc(S(=O)(=O)NC(=NN)NCCc2ccccc2)c(S)cc1Cl MOL32116
-Cc1cc(S(=O)(=O)NC(=NN)Nc2ccc(Cl)cc2)c(S)cc1Cl MOL32117
-Cc1cc(S(=O)(=O)N=C(NN)NNc2cccc(C(F)(F)F)n2)c(S)cc1Cl MOL32118
-Cc1cc(S(=O)(=O)NC2=NCCCN2)c(S)cc1Cl MOL32119
-Cc1cc(S(=O)(=O)NC2=NCC(C)(C)CN2)c(S)cc1Cl MOL32120
-CCC1CCN=C(NS(=O)(=O)c2cc(C)c(Cl)cc2S)N1 MOL32121
-Cc1cc(S(=O)(=O)N=c2nc(Nc3ccccc3)[nH]n2C)c(S)cc1Cl MOL32122
-Cc1ccc(Nc2nc(=NS(=O)(=O)c3cc(C)c(Cl)cc3S)n(C)[nH]2)cc1 MOL32123
-Cc1cc(S(=O)(=O)N=c2nc(Nc3ccc(Cl)cc3)[nH]n2C)c(S)cc1Cl MOL32124
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3CCOCC3)n2)c(S)cc1Cl MOL32125
-Cc1cc(S(=O)(=O)Nc2nc(N)nc(N3CCCCC3)n2)c(S)cc1Cl MOL32126
-CCC1C(C)C=CN1c1nc(N)nc(NS(=O)(=O)c2cc(C)c(Cl)cc2S)n1 MOL32127
-CCN(c1ccccc1)c1nc(N)nc(NS(=O)(=O)c2cc(C)c(Cl)cc2S)n1 MOL32128
-Cn1c2c(c3ccccc31)CCN=C2C1CCCOC1=O MOL32129
-Cn1c2c(c3ccccc31)CCN1OCC=CC(C(=O)O)C21 MOL32130
-O=C1OC2C(I)C3C4CCC3C2C14 MOL32131
-COC(=O)C1(SC)C2CCC3C2CCC31 MOL32132
-CSC1(C(=O)O)C2CCC3C2CCC31 MOL32133
-Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2 MOL32134
-Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2 MOL32135
-COc1ccc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23)cc1OC MOL32136
-ON=C1CC2(N3CCOCC3)CCC1(c1ccccc1)CC2 MOL32137
-C=C(C)C12CC3CCC(=NO)C(C1)C3(N1CCOCC1)CC2=NO MOL32138
-CC1(O)C2C(=NO)C3CC1(c1ccccc1)CC(C3=NO)C2c1ccccc1 MOL32139
-CCCCCCCCCCCC=C(C(=O)CCCO[Si](C)(C)C(C)(C)C)C(=O)OC MOL32140
-O=C1CCCCc2cccc(O)c21 MOL32141
-OC1CN(OCc2ccccc2)CC(O)C1O MOL32142
-CCCCON1CC(O)C(O)C(O)C1 MOL32143
-CC(=O)OC1CN(OCc2ccccc2)CC(OC(C)=O)C1OC(C)=O MOL32144
-CCCCON1CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1 MOL32145
-COc1ccc(C=C2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1OC MOL32146
-COc1ccc2[nH]cc(C3C4CCC(C4)C3NCc3cccc(CNC4C5CCC(C5)C4c4c[nH]c5ccc(OC)cc45)c3)c2c1 MOL32147
-COc1ccc2[nH]cc(C3C4CCC(C4)C3NCc3cccc(CNC4C5CCC(C5)C4c4c[nH]c5ccc(OC)cc45)c3)c2c1 MOL32148
-CC(C)(C)c1cc(C(=O)Nc2cc(Br)c(Br)cc2S(N)(=O)=O)cc(C(C)(C)C)c1O MOL32149
-CN(C)Cc1cc(N=Nc2ccccc2)ccc1O MOL32150
-CN(C)Cc1cc(N=Nc2ccccc2Cl)ccc1O MOL32151
-CN(C)Cc1cc(N=Nc2cccc(Cl)c2)ccc1O MOL32152
-CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)ccc1O MOL32153
-CN(C)Cc1cc(N=Nc2c(Cl)cccc2Cl)ccc1O MOL32154
-Cc1cccc(N=Nc2ccc(O)c(CN(C)C)c2)c1 MOL32155
-Cc1ccc(N=Nc2ccc(O)c(CN(C)C)c2)cc1 MOL32156
-Cc1ccc(N=Nc2ccc(O)c(CN(C)C)c2)cc1C MOL32157
-Cc1cccc(C)c1N=Nc1ccc(O)c(CN(C)C)c1 MOL32158
-CN(C)Cc1cc(N=Nc2ccccc2Cl)cc(CN(C)C)c1O MOL32159
-CN(C)Cc1cc(N=Nc2ccccc2)cc(CN(C)C)c1O.Cl MOL32160
-CN(C)Cc1cc(N=Nc2ccc(Cl)c(Cl)c2)ccc1O MOL32161
-CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)cc(CN(C)C)c1O.Cl MOL32162
-CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.Cl MOL32163
-CN(CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 MOL32164
-CN(CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 MOL32165
-O=C(NCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32166
-O=C(NCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32167
-O=C(NCCNCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32168
-Cl.O=C(NCCCNCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32169
-O=C(NCCCNCCCCNCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32170
-Cl.O=C(NCCCN1CCN(CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1)c1cc(-c2ccccc2)nc2ccccc12 MOL32171
-O=C(NCCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32172
-O=C(NCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 MOL32173
-COC1CC(C)(N)C(O)C(C)O1 MOL32174
-CCCC1(N)CC(OC)OC(C)C1O MOL32175
-COC1CC(N)(c2ccccc2)C(O)C(C)O1 MOL32176
-COC1CC(C)([N+](=O)[O-])C(O)C(C)O1 MOL32177
-COC1CC(C)(NC(=O)C(F)(F)F)C2OC(c3ccccc3)OCC2O1 MOL32178
-COC1CC(C)(NC(C)=O)C2OC(c3ccccc3)OCC2O1 MOL32179
-CCCC1(NC(=O)C(F)(F)F)CC(OC)OC2COC(c3ccccc3)OC21 MOL32180
-COC1CC(C)([N+](=O)[O-])C(O)C(C)O1 MOL32181
-CC(=O)OC1C(CN=[N+]=[N-])OCOC(CN=[N+]=[N-])C1OC(C)=O MOL32182
-[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COC(c1ccccc1)C(c1ccccc1)OCCOCCOC(c1ccccc1)C(c1ccccc1)OC2 MOL32183
-[O-]c1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COC(c1ccccc1)C(c1ccccc1)OCc1cccc(n1)COC(c1ccccc1)C(c1ccccc1)OC2 MOL32184
-COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O MOL32185
-COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1O MOL32186
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O MOL32187
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(Br)c(=O)[nH]c2=O)CC1O MOL32188
-COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O MOL32189
-COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(I)c(=O)[nH]c2=O)CC1O MOL32190
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2ccc(=N)[nH]c2=O)C(O)C1O MOL32191
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(I)c(=O)[nH]c2=O)CC1O MOL32192
-BC(=O)NC(CC(C)C)C(=O)NC1c2ccsc2C(=O)C1O.CN(C)C MOL32193
-BC(=O)NC(CC(C)C)C(=O)NC1c2ccsc2C(=O)C1O.CN(C)C MOL32194
-BC(=O)NC(CC(C)C)C(=O)NCC(=O)NC1c2ccsc2C(=O)C1O.CN(C)C MOL32195
-O=C(CSCc1cc(S(=O)(=O)O)c2cccnc2c1O)Nc1ccc(C=Cc2ccc(NC(=O)CSCc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH] MOL32196
-NC(=O)c1cccc(N=O)c1 MOL32197
-CC(C)(C)OC(=O)C1=C(N)N(Cc2ccccc2)C2(C)C=CC(=O)C=C12 MOL32198
-CC(=O)Oc1ccc2c(c1)c1c(=O)oc(N(C)C)nc1n2Cc1ccccc1 MOL32199
-CC(=O)Oc1ccc2c(c1)c1c(=O)oc(C)nc1n2Cc1ccccc1 MOL32200
-Cc1[nH]c(-c2ccccc2)c2nc(N(C)C)oc(=O)c12 MOL32201
-Cc1nc2c(-c3ccccc3)[nH]c(C)c2c(=O)o1 MOL32202
-COCN1C(N)=C(C(=O)OC(C)(C)C)C2=CC(=O)C=CC21C MOL32203
-COCn1c2ccc(OC(C)=O)cc2c2c(=O)oc(N(C)C)nc21 MOL32204
-COCn1c2ccc(OC(C)=O)cc2c2c(=O)oc(C)nc21 MOL32205
-CN(C)c1nc2sc3c(c2c(=O)o1)CCCC3 MOL32206
-Cc1nc2sc3c(c2c(=O)o1)CCCC3 MOL32207
-Cc1sc2[nH]c(=O)oc(=O)c2c1C MOL32208
-Cc1sc2nc(N(C)C)oc(=O)c2c1C MOL32209
-Cc1nc2sc(C)c(C)c2c(=O)o1 MOL32210
-COCn1c(C)c(C)c2c(=O)oc(=O)[nH]c21 MOL32211
-COCn1c(C)c(C)c2c(=O)oc(N(C)C)nc21 MOL32212
-COCn1c(C)c(C)c2c(=O)oc(C)nc21 MOL32213
-Clc1ccc(C(=Cc2ccccc2)Cn2ccnc2)cc1 MOL32214
-O=[N+]([O-])c1ccc(C(=Cc2ccccc2)Cn2ccnc2)cc1 MOL32215
-Clc1ccc(C(=Cc2ccccc2)Cn2ccnc2)cc1 MOL32216
-COc1cc(Br)cc2nc(-c3cccs3)oc12 MOL32217
-CN1c2ccccc2C2=C(c3ccccc3)CCC(C(=O)N3C4CC5CCC4(CS3(=O)=O)C5(C)C)C21 MOL32218
-CC1=C2c3ccccc3N(S(=O)(=O)c3ccccc3)C2C(C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)CC1 MOL32219
-CCN(CC)c1nc(=O)c(C(=O)C(C)(C)C)c(C(C)(C)C)o1 MOL32220
-O=[N+]([O-])c1ccc2c(c1)c1nn2CCCCOc2nn(c3ccc([N+](=O)[O-])cc23)CCCCO1 MOL32221
-CC(C)(C)C1NC(=O)CN1C(=O)OCc1ccccc1 MOL32222
-CC(C)(C)C1NC(=O)CN1C(=O)OCc1ccccc1 MOL32223
-COC(=O)Cc1ccc2c(c1)Sc1ccc(CC(=O)OC)cc1N2C MOL32224
-CC(=O)C(C)C(=O)N1C(=O)OCC12C1CCC(C1)C2(C)C MOL32225
-COP(=O)(Cc1ccc(C=CC#N)o1)OC MOL32226
-CC(C)(C)OC(=O)N1CCc2[nH][nH]c(=O)c2C1 MOL32227
-CC(C)(C)OC(=O)N1CCc2c(n(CC=Cc3ccccc3)[nH]c2=O)C1 MOL32228
-Cl.N=C(N)c1ccc(C(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 MOL32229
-Cc1nn(-c2ccccc2)c2nc(S)cnc12 MOL32230
-CCOC(=O)c1ccc(-c2cccs2)n1C MOL32231
-CCOC(=O)c1ccc(-c2cccs2)[nH]1 MOL32232
-CC(=O)c1nc2ccccc2n1CC(=O)c1ccccc1 MOL32233
-CC(=O)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 MOL32234
-COc1ccc(C(=O)Cn2c(C(C)=O)nc3ccccc32)cc1 MOL32235
-CC(=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 MOL32236
-CC(=O)c1nc2ccccc2n1C(C)C(=O)c1ccccc1 MOL32237
-O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccccc1 MOL32238
-O=C(Cn1c(C(=O)c2ccccc2)nc2ccccc21)c1ccc(Cl)cc1 MOL32239
-Oc1cc(-c2ccccc2)cn2c1nc1ccccc12 MOL32240
-Cc1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1 MOL32241
-Oc1cc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12 MOL32242
-COc1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1 MOL32243
-O=[N+]([O-])c1ccc(-c2cc(O)c3nc4ccccc4n3c2)cc1 MOL32244
-Cc1c(-c2ccccc2)cc(O)c2nc3ccccc3n12 MOL32245
-COc1cc(-c2ccccc2)cn2c1nc1ccccc12 MOL32246
-Cc1nc(-c2ccccc2)cn2c1nc1ccccc12 MOL32247
-Cc1ccc(-c2cn3c(nc4ccccc43)c(C)n2)cc1 MOL32248
-Cc1nc(-c2ccc(Cl)cc2)cn2c1nc1ccccc12 MOL32249
-COc1ccc(-c2cn3c(nc4ccccc43)c(C)n2)cc1 MOL32250
-Cc1nc(-c2ccc([N+](=O)[O-])cc2)cn2c1nc1ccccc12 MOL32251
-Cc1nc(-c2ccccc2)c(C)n2c1nc1ccccc12 MOL32252
-c1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 MOL32253
-Cc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 MOL32254
-Clc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 MOL32255
-Cn1c2ccccc2c2nc3ccccc3c(Cl)c21 MOL32256
-CC(=O)OC1CC2C(OC(C)=O)C=C3CC(C)(C(=O)C(O)C(=C1C)C2(C)C)C(O)CC3OC(=O)C(O)C(c1ccccc1)N(C)C MOL32257
-Cc1ccc(S(=O)(=O)NC(=N)N(C)N=O)cc1 MOL32258
-N=c1[nH]n2c(C(Br)Br)cc(C(Br)Br)nc2c1[N+](=O)[O-] MOL32259
-ClCc1nn(-c2ccccc2)c(CCl)c1CCl MOL32260
-O=CC(O)C(O)C(O)C(O)CON1CC(O)C(O)C(O)C1 MOL32261
-CC(=O)OC1CN(OCC2OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)CC(OC(C)=O)C1OC(C)=O MOL32262
-O=C(O)c1cc(O)c(O)c(O)c1 MOL32263
-COc1cc(C=CC(=O)O)ccc1O MOL32264
-O=C(O)C=Cc1ccc(O)cc1 MOL32265
-COc1cc(C(=O)O)ccc1O MOL32266
-CC(=O)Nn1c(Cc2ccc(Cl)cc2)nn(C)c1=O MOL32267
-CCc1n[nH]c(=O)n1N MOL32268
-Nn1c(Cc2ccccc2)n[nH]c1=O MOL32269
-Cc1ccc(-c2n[nH]c(=O)n2N)cc1 MOL32270
-Nn1c(-c2ccccc2)n[nH]c1=O MOL32271
-CC(=O)N(C(C)=O)n1c(Cc2ccc(C)cc2)nn(C(C)=O)c1=O MOL32272
-CNn1c(C)n[nH]c1=O MOL32273
-CNn1c(-c2ccccc2)n[nH]c1=O MOL32274
-Cc1n[nH]c(=O)n1N=Cc1cccnc1 MOL32275
-COc1c2c(nc3ccccc13)-c1cc(C(CC(=O)OC(C)(C)C)C(=O)OC(C)C)c(CO)c(=O)n1C2 MOL32276
-CN1CCN(CC(=O)Nc2cccc3ccccc23)CC1 MOL32277
-S=C1NNC(=S)NN1 MOL32278
-CSC1=NN=C(SC)NN1 MOL32279
-COc1ccc(OC)c2c1C=CC(Br)=CC2 MOL32280
-CSc1nnc(SC)nn1 MOL32281
-CCOC(=O)C#CC(=O)OCC MOL32282
-NC(=O)N=NC(N)=O MOL32283
-Cc1cn(C2CC(N(O)Cc3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL32284
-CONC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL32285
-Cc1cn(C2CC(O)C(CN(O)C(N)=O)O2)c(=O)[nH]c1=O MOL32286
-CC(C)=CCCC(C)CCN(O)CC(CO)OC(CO)n1cc(C)c(=O)[nH]c1=O MOL32287
-CC(=O)ON1CCC(n2cc(C)c(=O)[nH]c2=O)C1 MOL32288
-Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C(N(C)O[Si](C)(C)C(C)(C)C)C2[Se]c2ccccc2)c(=O)[nH]c1=O MOL32289
-COC(=O)C=C1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL32290
-Cc1cn(C2CC(=CC#N)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL32291
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-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCO)cccc23)cc1 MOL32293
-NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCO)cccc23)cc1 MOL32294
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCO)cccc34)cc2)no1 MOL32295
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NC(CO)(CO)CO)cccc34)cc2)n1 MOL32296
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NC(CO)(CO)CO)cccc23)cc1 MOL32297
-NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NC(CO)(CO)CO)cccc23)cc1 MOL32298
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NC(CO)(CO)CO)cccc34)cc2)no1 MOL32299
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCCN(CCO)CCO)cccc34)cc2)n1 MOL32300
-NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCCN(CCO)CCO)cccc23)cc1 MOL32301
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NNCCO)cccc34)cc2)n1 MOL32302
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NNCCO)cccc23)cc1 MOL32303
-CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cn2)CC(C)N1 MOL32304
-CN1CCN(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)cc43)nc2)CC1 MOL32305
-CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(N3CCN(C)CC3)cn2)CC(C)N1 MOL32306
-CC(C)N(c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1)C(C)C MOL32307
-CCCN(CCC)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(N2CCN(C)CC2)cn1 MOL32308
-Nc1ncnc2snnc12 MOL32309
-Nc1nc(S)nc2snnc12 MOL32310
-CCCCCCCCOC1C(O)C(O)C(O)C(O)C12CO2 MOL32311
-O=C1CSC(c2ccccc2O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32312
-O=C1CSC(C=Cc2ccccc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32313
-O=C1CSC(c2ccccc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32314
-Cc1ccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1 MOL32315
-COc1ccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1 MOL32316
-COc1ccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1OC MOL32317
-COc1cc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc(OC)c1OC MOL32318
-O=C1CSC(c2cccc(Cl)c2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32319
-O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32320
-O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32321
-O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32322
-COc1ccccc1C1SCC(=O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32323
-COc1cccc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)c1OC MOL32324
-O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32325
-COc1cc(C2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)ccc1O MOL32326
-O=C1CSC(c2ccccc2O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32327
-O=C1CSC(C=Cc2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32328
-O=C1CSC(c2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32329
-Cc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32330
-COc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 MOL32331
-COc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1OC MOL32332
-COc1cc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc(OC)c1OC MOL32333
-O=C1CSC(c2cccc(Cl)c2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32334
-O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32335
-O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32336
-O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32337
-COc1ccccc1C1SCC(=O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32338
-COc1cccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)c1OC MOL32339
-O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL32340
-COc1cc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)ccc1O MOL32341
-CC(C)(C)OC(=O)NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O MOL32342
-C=CCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O MOL32343
-COC(=O)CN(CC(=O)NCCNC(=O)OC(C)(C)C)C1CCCCC1N(CC(=O)OC)CC(=O)OC MOL32344
-COC(=O)CN(CC(=O)NCCCBr)C1CCCCC1N(CC(=O)OC)CC(=O)OC MOL32345
-CC(C)(C)OC(=O)NCC(=O)NC1CC=CCC1NC(=O)CNC(=O)OC(C)(C)C MOL32346
-Cl.NC1CCC(N(CC(=O)O)CC(=O)O)C(N(CC(=O)O)CC(=O)O)C1 MOL32347
-CC(=O)C1C(=O)C(C(C)=O)C2C3C=CC(C3)C12 MOL32348
-CC(C)(C)OC(=O)NC1CC=CCC1NC(=O)OC(C)(C)C MOL32349
-CC(=O)NC1CCC(NC(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C1 MOL32350
-N#CCN1CCN(CC#N)CCN(CC#N)CCN(CC#N)CC1 MOL32351
-N#CCN1CCCN(CC#N)CCN(CC#N)CCCN(CC#N)CC1 MOL32352
-O=C(O)CN(CC(=O)O)C1CCCCC1N1CC(=O)OC(=O)C1 MOL32353
-NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O MOL32354
-N#CCN(CC#N)C1CC=CCC1N(CC#N)CC#N MOL32355
-Cl.NC1CCCCC1NCCNC1CCCCC1N MOL32356
-O=C(NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL32357
-CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(=O)NC1CCCCC1NC(=O)OC(C)(C)C MOL32358
-c1ccc(C(NC2CCCCC2NCCNC2CCCCC2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL32359
-O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)NCCN=C=S MOL32360
-C=CCNC(=O)CN(CC(=O)OC)C1CCCCC1N(CC(=O)OC)CC(=O)OC MOL32361
-O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)NC1CCCCC1NC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL32362
-BrC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1 MOL32363
-C(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1 MOL32364
-Oc1ccc(C(=C(Br)c2ccccc2)c2ccc(O)cc2)cc1 MOL32365
-COc1ccc(C(=C(Cl)c2ccccc2)c2ccc(OC)cc2)cc1 MOL32366
-COc1ccc(C(=C(I)c2ccccc2)c2ccc(OC)cc2)cc1 MOL32367
-CCCCCCC(CCl)c1sc(-c2csc(CCNC(=O)OC(C)(C)C)n2)nc1C(=O)OC MOL32368
-O=C(n1c(=O)n(-c2ccc(Cl)cc2)c(=O)n1C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl MOL32369
-CC(C)(C)n1c(=O)n(C(=O)C(Cl)(Cl)Cl)n(C(=O)C(Cl)(Cl)Cl)c1=O MOL32370
-COc1ccc(C2=Nc3cc(C)c(C)cc3NC(c3ccccc3)C2)cc1 MOL32371
-CC(C1C(O)CC2(C)C3C=CC4C(C)(C)C(N(C)C)CCC45CC35CCC12C)N(C)C MOL32372
-O=C(NCCc1c[nH]c2ccccc12)C1CC1 MOL32373
-O=C(NCCc1c[nH]c2ccccc12)C1CCCCC1 MOL32374
-O=C(NCCc1c[nH]c2ccccc12)C(F)(F)F MOL32375
-CNC(=O)NCCc1c[nH]c2ccccc12 MOL32376
-CC(C)NC(=O)NCCc1c[nH]c2ccccc12 MOL32377
-O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)(F)F MOL32378
-N#CCC(=O)NCCc1c[nH]c2ccccc12 MOL32379
-CCCC(=O)Nc1ccc2c(ccn2COC)c1 MOL32380
-COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1 MOL32381
-O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C1CCCCC1 MOL32382
-O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)F MOL32383
-O=C(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(F)(F)C(F)(F)F MOL32384
-Cn1c(-c2ccccc2)c(CCNC(=O)C2CCC2)c2ccccc21 MOL32385
-CCNC(=S)NCCc1c[nH]c2ccccc12 MOL32386
-C=CCC(=S)NCCc1c[nH]c2ccccc12 MOL32387
-N#CNC1=NC(C(=O)O)CC(=O)N1CCc1c[nH]c2ccccc12 MOL32388
-Cl.Nc1ncnc2c1ncn2C1OC(CO)CC1F MOL32389
-ClCCN1CCN(CCCl)[Co-4]123([O+]=C1C=CC=CC=C1[OH+]2)[O+]=C1C=CC=CC=C1[OH+]3.[O-][Cl+3]([O-])([O-])O MOL32390
-CC[N+]1(CC)CCN[Co-4]123([O+]=C1C=CC=CC=C1[OH+]2)[O+]=C1C=CC=CC=C1[OH+]3.[O-][Cl+3]([O-])([O-])O MOL32391
-CN(C)CCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12.Cl MOL32392
-N#CC12CC=C(c3ccccc3)N=C1NC(c1ccccc1)=CC2 MOL32393
-N#CC12CC3=C(N=C1NC1=C(CCc4ccccc41)C2)c1ccccc1CC3 MOL32394
-CCOC(=O)CCC(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC MOL32395
-CC(C)=CC(Cc1ccccc1)S(=O)(=O)c1nc2ccccc2s1 MOL32396
-O=S(=O)(Cc1nc2ccccc2s1)c1nc2ccccc2s1 MOL32397
-O=S(=O)(CC(Cl)c1ccccc1)c1nc2ccccc2s1 MOL32398
-O=C1C2=C(CCC2)C2OC1C1C(=O)OCC21 MOL32399
-O=[N+]([O-])c1ccc(C(O)(C#CCN2CCCC2)c2ccccc2)cc1 MOL32400
-O=C(O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CCNC(=O)OCC1c2ccccc2-c2ccccc21 MOL32401
-CON(C)C(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 MOL32402
-O=C(O)C(C(C(=O)O)P(=O)(O)O)P(=O)(O)O MOL32403
-O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C([O-])C(=Cc2ccc(Cl)c(Cl)c2)C([O-])=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 MOL32404
-Cc1ccc2c(c1)C(=O)C(=NNc1ccc(Cl)cc1)CCO2 MOL32405
-COc1ccc(NN=C2CCOc3ccc(C)cc3C2=O)cc1 MOL32406
-Cc1cc2c(cc1C)C(=O)C(=NNc1ccc(F)cc1)CCO2 MOL32407
-COc1ccc2[nH]c3c(c2c1)COc1ccccc1C3=O MOL32408
-Cc1ccc2c(c1)C(=O)c1[nH]c3ccc(F)cc3c1CO2 MOL32409
-c1cc2cc3c4c5c(cc6ccc7cc8cc9c%10c8c8c7c6c5c8c5c%10c(c1C9N1CCOCCOCCOCCOCCOCC1)c2c45)C3 MOL32410
-[N-]=[N+]=NCC1OCC(O)C(OCc2ccccc2)C1OCc1ccccc1 MOL32411
-O=C(Cn1c(=O)oc2ccc(C(=O)c3ccccc3Cl)cc21)c1ccc([N+](=O)[O-])cc1 MOL32412
-O=C(Cn1c(=O)oc2ccc(C(=O)c3cccc(Cl)c3)cc21)c1ccccc1 MOL32413
-O=C(Cn1c(=O)oc2ccc(C(=O)c3ccc(F)cc3)cc21)c1ccccc1 MOL32414
-O=C(Cn1c(=O)oc2ccc(C(=O)c3ccc(F)cc3)cc21)c1ccc([N+](=O)[O-])cc1 MOL32415
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3OC(C)=O MOL32416
-COc1cc2c3c(c1)[nH]c(=S)n3C(=O)CCS2 MOL32417
-COc1cc2c3c(c1)nnn3C(=O)CCS2 MOL32418
-COc1cc2c(c([N+](=O)[O-])c1)NC(=O)CC(C)S2 MOL32419
-COc1cc2c3c(c1)ncn3C(=O)C(c1ccccc1)S2 MOL32420
-CCOC1(C)Nc2cc(OC)cc3c2N1C(=O)CCS3 MOL32421
-COc1cc2c3c(c1)ncn3C(=O)CCS2 MOL32422
-COc1cc2c3c(c1)SCCC(=O)N3CCN2 MOL32423
-CCOC(C)=Nc1cc(OC)cc2c1NC(=O)CCS2 MOL32424
-C1=CC2=[S+][Mn+2]3([OH+]N2C=C1)[OH+]N1C=CC=CC1=[S+]3 MOL32425
-COc1cccc(OC)c1C1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 MOL32426
-O=[N+]([O-])c1ccc(C2=NOC(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL32427
-O=[N+]([O-])c1ccc(C2=NOC(c3ccccc3F)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL32428
-O=[N+]([O-])c1ccc(C2=NOC(c3ccc(Cl)cc3)N2C23CC4CC(CC(C4)C2)C3)cc1 MOL32429
-COc1ccccc1C1ON=C(c2ccc([N+](=O)[O-])cc2)N1C12CC3CC(CC(C3)C1)C2 MOL32430
-N#Cc1cccc(C2ON=C(c3ccc([N+](=O)[O-])cc3)N2C23CC4CC(CC(C4)C2)C3)c1 MOL32431
-O=C(O)C(Cc1ccc2c(c1)CCC2)(Cc1ccc2c(c1)CCC2)C(=O)O MOL32432
-O=C(O)CCc1ccc2c(c1)C(=O)CC2 MOL32433
-O=C(O)c1ccccc1C=C1Cc2cc3c(cc2C1=O)CCC3 MOL32434
-O=C1c2cc3c(cc2CC1Cc1ccc2c(c1)CCC2)CCC3 MOL32435
-O=C1c2c(ccc3c2CCC3)CC1Cc1ccc2c(c1)CCC2 MOL32436
-O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCC4)CCC3 MOL32437
-O=C1C(=Cc2ccc3c(c2)CCC3)Cc2cc3c(cc21)CCC3 MOL32438
-O=C(c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2)C(Br)Br MOL32439
-O=C(O)c1ccccc1CC1Cc2cc3c(cc2C1)CCC3 MOL32440
-O=C(O)C1(Cc2ccccc2)Cc2ccccc2C1 MOL32441
-O=C1CCCc2ccc3c(c21)CC1(Cc2cc4c(cc2C1)CCCC4)C3 MOL32442
-O=C1CCc2cc3c(cc21)CC1(Cc2cc4c(cc2C1)CCCC4)C3 MOL32443
-Cc1ccc2c(c1)C(=O)C(=C1CCc3ccc(C)cc31)C2 MOL32444
-O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCCC4)CCCC3 MOL32445
-O=C(O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCCC3 MOL32446
-O=C1c2ccccc2CC12Cc1ccc3c(c1C2=O)CCCC3 MOL32447
-O=C1c2c(ccc3c2CCCC3)CC1Cc1ccc2c(c1)CCCC2 MOL32448
-COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(C)=O)c3C1)CCC4)C=CC2 MOL32449
-O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 MOL32450
-COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3 MOL32451
-COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3 MOL32452
-O=C(O)C1(Cc2ccccc2)Cc2cc3c(cc2C1)CCC3 MOL32453
-CCc1cc2c(c3c1CCCC3)CC1(Cc3ccc(C(=O)OC)cc3C1)C2 MOL32454
-O=C(O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O MOL32455
-O=C(O)c1c2c(cc3c1CC1(Cc4ccccc4C1=O)C3)CCC2 MOL32456
-CCOC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3 MOL32457
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 MOL32458
-O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O.[KH] MOL32459
-O=C(O)C1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1 MOL32460
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1)CCC3 MOL32461
-COC(=O)C(Cc1ccc2c(c1)CCC2)Cc1ccc2c(c1)CCC2 MOL32462
-O=C(O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 MOL32463
-O=C(O)c1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3 MOL32464
-C[Si](C)(OCCS(=O)(=O)O)C1S(=O)(=O)OCCOS1(=O)=O.[NaH] MOL32465
-C[Si](C)(OCCS(=O)(=O)O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O.[NaH] MOL32466
-CC(=O)C1(Cc2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O MOL32467
-CC1OC1C(=O)P(=O)(O)O.[NaH] MOL32468
-COC(=O)Cc1cc(O)c(CC=C(C)CCC=C(C)C(O)C(=O)C=C(C)C)cc1O MOL32469
-CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl MOL32470
-CC(C)=CCOc1cc(NC(=S)c2ccsc2C)ccc1Cl MOL32471
-CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F MOL32472
-CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)C(F)(F)F MOL32473
-CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(F)(F)F MOL32474
-CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F MOL32475
-CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F MOL32476
-CCOC(=O)C(NC(=O)CC(C)C)(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(F)(F)F MOL32477
-CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F MOL32478
-COc1ccc(NS(=O)(=O)c2ccc(NC(NC(=O)CC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nn1 MOL32479
-CC(C)CC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F MOL32480
-CCOC(=O)C(NC(=O)CC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F MOL32481
-CCOC(=O)C(NC(=O)CC(C)C)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F MOL32482
-CCOC(=O)C(NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F MOL32483
-CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F MOL32484
-O=C(NC(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)(C(F)(F)F)C(F)(F)F)c1ccccc1 MOL32485
-CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F MOL32486
-CCOC(=O)C(NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F MOL32487
-CCOC(=O)NC(C(=O)OCC)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)CC1)C(F)(F)F MOL32488
-CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(=O)OCC)C(F)(F)F MOL32489
-CCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(=O)OCC)C(F)(F)F MOL32490
-Cc1n[nH]c(=O)n1C1CC1 MOL32491
-C=O.NNCCc1n[nH]c(=O)n1N MOL32492
-Nn1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O MOL32493
-Cc1n[nH]c(=O)n1Nc1ccccc1 MOL32494
-O=c1[nH]nc(Cc2ccccc2)n1Nc1ccccc1 MOL32495
-Cc1n[nH]c(=O)n1N=Cc1ccccc1 MOL32496
-Cc1n[nH]c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1 MOL32497
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1 MOL32498
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 MOL32499
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1 MOL32500
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccc([N+](=O)[O-])cc1 MOL32501
-O=C(OCC1OC2OC(c3ccccc3)(n3ccc4c([N+](=O)[O-])ccnc43)OC2C1OC(=O)c1ccccc1)c1ccccc1 MOL32502
-COc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1 MOL32503
-Clc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1 MOL32504
-c1ccc(-c2nnc(-c3ccccn3)c3c2CC2CC4Cc5c(-c6ccccn6)nnc(-c6ccccn6)c5C4C32)nc1 MOL32505
-CC(=O)OC(c1nccn1Cc1ccccc1)C1OC(C)(C)OC1C1COC(C)(C)O1 MOL32506
-O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCc1ccccc1O2 MOL32507
-CC=CC=CC=CC(O)C(C)C(CCC(C)C1OC(=O)C=CC1C)OP(=O)(O)O.[NaH] MOL32508
-O=S(=O)(O)c1cc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1C(O)C(O)c1ccc(N=Nc2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL32509
-CC(=O)Nc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL32510
-CC(=O)Oc1ccc(C2SCc3nc4ccccc4n32)cc1 MOL32511
-Fc1cccc(F)c1C1SCc2nc3cc(Cl)ccc3n21 MOL32512
-O=[N+]([O-])c1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1 MOL32513
-Fc1cccc(F)c1C1SCc2nc3cc(Cl)c(Cl)cc3n21 MOL32514
-Fc1cccc(F)c1C1SCc2nc3ccc(Cl)cc3n21 MOL32515
-O=[N+]([O-])c1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3 MOL32516
-Nc1nc(O)nc2snnc12 MOL32517
-Nc1nc(N)c2nnsc2n1 MOL32518
-CCCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O MOL32519
-C=CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O MOL32520
-CC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O MOL32521
-CC(C)=CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O MOL32522
-O=C1c2cccn2-c2ccccc2SC1c1ccccc1 MOL32523
-O=C1c2cccn2-c2ccccc2OC1(CC1CC1)c1ccccc1 MOL32524
-CC1(c2ccccc2)Sc2ccccc2-n2cccc2C1=O MOL32525
-CS(=O)(=O)N1CC(CCl)c2ccc(O)cc21 MOL32526
-CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2COS(C)(=O)=O MOL32527
-CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2CCl MOL32528
-CS(=O)(=O)N1CC(CI)c2ccc(O)cc21 MOL32529
-CS(=O)(=O)OCC1CN(S(C)(=O)=O)c2cc(O)ccc21 MOL32530
-CNC(=O)OCc1nc(N=[N+]=[N-])n(C)c1COC(=O)NC MOL32531
-CNC(=O)OCc1cnc([N+](=O)[O-])n1C MOL32532
-Cc1cn(C2CC(CO)C2O)c(=O)[nH]c1=O MOL32533
-Cc1cn(C2C(O)CC2CO)c(=O)[nH]c1=O MOL32534
-CC(=O)C1=CC=CC1=NNc1ccccc1 MOL32535
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL32536
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL32537
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL32538
-C=CC(C)C(O)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2 MOL32539
-C=CC(C)C(O[Si](C)(C)C(C)(C)C)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2 MOL32540
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O[Si](C)(C)C(C)(C)C MOL32541
-C=CC(C)C(O)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2 MOL32542
-C=CC(C)C(O[Si](C)(C)C(C)(C)C)c1c(O)c2c(c3c(CCC)cc(=O)oc13)OC(C)(C)C=C2 MOL32543
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O[Si](C)(C)C(C)(C)C MOL32544
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3OC(=O)CCl MOL32545
-O=C(O)c1ccc(C=Cc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2C(=O)O)cc1.[NaH] MOL32546
-O=C(O)c1ccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2C(=O)O)cc1.[NaH] MOL32547
-O=C1C2=Nc3ccccc3C(O)(C(=O)O)N2c2ccccc21 MOL32548
-COC(=O)C1(O)c2ccccc2N=C2C(=O)c3ccccc3N21 MOL32549
-COc1ccc(CC2COC(=O)C2Cc2ccc(O)c(O)c2)cc1OC MOL32550
-COc1ccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc1O MOL32551
-COc1cccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)c1 MOL32552
-COc1ccc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc1 MOL32553
-COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)cc(OC)c1 MOL32554
-COc1ccc(CC2COC(=O)C2Cc2cc(OC)c(O)c(OC)c2)cc1OC MOL32555
-COc1ccc(CC2COC(=O)C2Cc2ccc3c(c2)OCO3)cc1OC MOL32556
-COc1ccc(CC2COC(=O)C2Cc2ccc(OC)c(OC)c2)cc1OC MOL32557
-COc1ccc(CC2COC(=O)C2Cc2cc(OC)c(OC)c(OC)c2)cc1OC MOL32558
-COc1ccc(CC2COC(=O)C2Cc2ccc(Br)cc2)cc1OC MOL32559
-COc1ccc(CC2COC(=O)C2Cc2cccc(Br)c2)cc1OC MOL32560
-CC(=O)OC1C(OC(=O)CC(C)(O)CC(=O)O)CC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C2CCC(C(C)(C)O)OC2O)C1(C)C(O)C3 MOL32561
-CC(=O)OC1OC(C(C)(C)O)CCC1C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(=O)O)C(OC(C)=O)C(C)(C)C1CC3 MOL32562
-CC(=O)OC1CC(C)C2(CC(c3ccoc3)OC2=O)C2CCC(O)C3(CO3)C12CO MOL32563
-CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(O)C21CO1 MOL32564
-CC(=O)OCC12C(=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(OC(C)=O)C21CO1 MOL32565
-CC(=O)OC1CC(C)C2(CC(O)c3ccoc3)C(=O)OCC13C2CCC(O)C31CO1 MOL32566
-CC(=O)OCC12C(OC(C)=O)CC(C)C3(CC(c4ccoc4)OC3=O)C1CCC(OC(C)=O)C21CO1 MOL32567
-O=C1Nc2nccnc2C(=O)N2CCCC12 MOL32568
-CCN(CC)CCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12 MOL32569
-CCN(CC)CCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12 MOL32570
-CCN(CC)CCCn1c(=O)c2ccccc2n2c3c(=O)n(C)c(=O)n(C)c3nc12 MOL32571
-CCN(CC)CCCn1c(=O)c2cccnc2n2c3c(=O)n(C)c(=O)n(C)c3nc12 MOL32572
-CN(C)Cc1cc(N=Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1.Cl MOL32573
-CN(C)Cc1cc(C=O)cc(CN(C)C)c1O MOL32574
-Sc1ncc2[nH]nnc2n1 MOL32575
-Nc1nc(S)nc2nn[nH]c12 MOL32576
-O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2 MOL32577
-O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2CCCCCl MOL32578
-CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O MOL32579
-CCCN(CCC)C(=S)Sc1nc(C)nc(N2CCN(c3nc(C)nc(SC(=S)N(CCC)CCC)c3[N+](=O)[O-])CC2)c1[N+](=O)[O-] MOL32580
-COc1ccc(C(=O)Nc2sc(SC)nc2C(N)=O)cc1 MOL32581
-CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc(Cl)cc1 MOL32582
-CCOC(=O)c1nc(SC)sc1NC(=O)c1ccccc1[N+](=O)[O-] MOL32583
-CCOC(=O)c1nc(SC)sc1NC(=O)c1ccccc1N MOL32584
-CSc1nc2c(=O)oc(-c3ccc(Cl)cc3)nc2s1 MOL32585
-CCOC(=O)c1sc(SC)nc1N MOL32586
-CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 MOL32587
-CSc1nc(C(N)=O)c(NC(=O)c2ccccc2)s1 MOL32588
-CCOC(=O)c1nc(SC)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 MOL32589
-CCOC(=O)c1nc(SC)sc1NC(=O)c1ccccc1Cl MOL32590
-CSc1nc2c(=O)oc(-c3ccccc3)nc2s1 MOL32591
-CSc1nc2c(=O)oc(-c3ccc([N+](=O)[O-])cc3)nc2s1 MOL32592
-CSc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)NC(C)C)s1 MOL32593
-CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccccc1 MOL32594
-CCCNC(=O)c1sc(SC)nc1NC(=O)c1ccc(OC)cc1 MOL32595
-CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc([N+](=O)[O-])cc1 MOL32596
-CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc(Cl)cc1 MOL32597
-CCCNC(=O)c1nc(SC)sc1NC(=O)c1ccc(OC)cc1 MOL32598
-CCOC(=O)c1sc(SC)nc1NC(=O)c1ccc(OC)cc1 MOL32599
-CCOC(=O)c1sc(SC)nc1NC(=O)c1ccccc1 MOL32600
-CCCCOC(=O)OC1CCC2(C)CC3CCC2(OO3)C1(C)C MOL32601
-CCCCOC(=O)OC1CCC2(C)CC3C=CC2(OO3)C1(C)C MOL32602
-CC(=O)OC1CCC2(C)CC3C=CC2(OO3)C1(C)C MOL32603
-COC(=O)CC12C=CC3(OO1)C(C)(C)CCCC3(C)O2 MOL32604
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC5CCC6(C)CC7CCC6(OO7)C5(C)C)CCC4(C)C3CCC12C MOL32605
-CC(CC12C=CC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)c1ccccc1 MOL32606
-CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)OC5CCC6(C)CC7C=CC6(OO7)C5(C)C)CCC4(C)C3CCC12C MOL32607
-CC(CC12CCC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)c1ccccc1 MOL32608
-CC(CC12C=CC3(OO1)C(C)(C)CCCC3(C)O2)OC(=O)c1ccccc1 MOL32609
-CC1c2c(O)nc(O)nc2OC1c1ccccc1 MOL32610
-CC1c2c(O)nc(O)nc2OC1c1ccccc1 MOL32611
-CC1C(c2ccccc2)C12C(=O)NC(=O)NC2=O MOL32612
-CC1C(c2ccccc2)C12C(=O)NC(=O)NC2=O MOL32613
-CC1c2c(n(C3OC(CO)C(O)C3O)c(=O)[nH]c2=O)OC1c1ccccc1 MOL32614
-Cc1ccc(C2=Nn3c(nc4sc5c(c4c3=O)CCCC5)SC2)cc1 MOL32615
-COc1ccc(C2=Nn3c(nc4sc5c(c4c3=O)CCCC5)SC2)cc1 MOL32616
-O=c1c2c3c(sc2nc2n1N=C(c1ccc(Cl)cc1)CS2)CCCC3 MOL32617
-O=c1c2c3c(sc2nc2n1N=C(c1ccc([N+](=O)[O-])cc1)CS2)CCCC3 MOL32618
-Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccccc1)CS3 MOL32619
-Cc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1 MOL32620
-COc1ccc(C2=Nn3c(nc4sc(C)c(C)c4c3=O)SC2)cc1 MOL32621
-Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccc(Cl)cc1)CS3 MOL32622
-Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccc([N+](=O)[O-])cc1)CS3 MOL32623
-O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1ccccc1)CS2 MOL32624
-O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1ccc(Cl)cc1)CS2 MOL32625
-Cc1ccc(C2=Nn3c(nc4sc(-c5ccccc5)cc4c3=O)SC2)cc1 MOL32626
-COc1ccc(C2=Nn3c(nc4sc(-c5ccccc5)cc4c3=O)SC2)cc1 MOL32627
-CCOC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1 MOL32628
-O=C(O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1 MOL32629
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1)C(=O)OCC MOL32630
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC MOL32631
-COc1cc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL32632
-COc1cc(OC)cc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)c1 MOL32633
-COC(=O)c1ccc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 MOL32634
-CCOC(=O)c1nc2ccccc2nc1NCc1cc(OC)c(OC)c(OC)c1 MOL32635
-CCOC(=O)c1nc2ccccc2nc1NCc1ccc(OC)c(OC)c1 MOL32636
-COc1cc(CNc2nc3ccccc3nc2-c2cccs2)cc(OC)c1OC MOL32637
-COc1cc(CNc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC MOL32638
-COc1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1OC MOL32639
-CCOC(=O)c1nc2ccccc2nc1NCc1ccc(OC)cc1 MOL32640
-COc1ccc(CNc2nc3ccccc3nc2-c2cccs2)cc1 MOL32641
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(O)nc2ccccc2c1O MOL32642
-Cn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(O)c2ccccc21 MOL32643
-C=CCn1c(=O)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(O)c2ccccc21 MOL32644
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccccc2oc1=O MOL32645
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O MOL32646
-Cc1ccc2oc(=O)c(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc2c1 MOL32647
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Cl)ccc2oc1=O MOL32648
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Br)cc(Br)c2oc1=O MOL32649
-CCN(CC)c1ccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2c1 MOL32650
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccc(O)cc2oc1=O MOL32651
-CCCCCCc1cc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2cc1O MOL32652
-C=CCc1cccc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc12 MOL32653
-O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2c(ccc3ccccc32)oc1=O MOL32654
-CCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21 MOL32655
-CC(C)CCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21 MOL32656
-CCCc1c(O)nc2ccccc2c1O MOL32657
-C=CCc1c(O)nc2ccccc2c1O MOL32658
-Oc1nc2ccccc2c(O)c1Cc1ccccc1 MOL32659
-Cn1c(=O)c(-c2ccccc2)c(O)c2ccccc21 MOL32660
-C=CCn1c(=O)c(-c2ccccc2)c(O)c2ccccc21 MOL32661
-O=C(NCCO)c1c(O)nc2ccccc2c1O MOL32662
-O=C(NCCCCl)c1c(O)nc2ccccc2c1O MOL32663
-CN(C)CCCNC(=O)c1c(O)nc2ccccc2c1O.Cl MOL32664
-CN(C)CCCNC(=O)c1c(O)c2ccccc2n(C)c1=O.Cl MOL32665
-CCC[N+](C)(C)CCCNC(=O)c1c(O)nc2ccccc2c1O.[Br-] MOL32666
-O=c1c2ccccc2n2n1Cc1ccccc1C2 MOL32667
-O=c1c2cc([N+](=O)[O-])ccc2n2n1Cc1ccccc1C2 MOL32668
-O=c1c2cccnc2n2n1Cc1ccccc1C2 MOL32669
-O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N1Cc3ccccc3CCN21 MOL32670
-O=C1C2=Cc3ccccc3CCN2c2ccc([N+](=O)[O-])cc21 MOL32671
-O=C1C2=Cc3ccccc3CCN2c2ccccc21 MOL32672
-O=c1[nH]n(Cc2ccccc2CCl)c2ccc([N+](=O)[O-])cc12 MOL32673
-O=c1[nH]n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12 MOL32674
-O=c1[nH]n(Cc2ccccc2Cl)c2ccc([N+](=O)[O-])cc12 MOL32675
-COc1ccccc1Cn1[nH]c(=O)c2cc([N+](=O)[O-])ccc21 MOL32676
-O=c1[nH]n(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12 MOL32677
-O=c1[nH]n(Cc2ccccc2Cl)c2ccccc12 MOL32678
-O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccc1Cl MOL32679
-O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccn1 MOL32680
-O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccc3Cl)c2c1 MOL32681
-O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccn3)c2c1 MOL32682
-O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCC2 MOL32683
-O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCCC2 MOL32684
-O=c1ccn2n1Cc1ccccc1C2 MOL32685
-Cl.O=c1ccn2n1CCCCC2 MOL32686
-CC(C)C1OC(=O)C=CC=CC=CC=CC=CCC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C=CC1C MOL32687
-OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1Cl MOL32688
-Nc1ncnc2c1ncn2C(Cl)=C(Cl)Cl MOL32689
-CC(=O)OCC1On2nnnc2C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL32690
-CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O MOL32691
-Oc1nnnc2c1sc1ncccc12 MOL32692
-Nc1ncnc2c(C3OC(CO)C(O)C3O)nsc12 MOL32693
-Nc1ncnc2c(C3OC(CO)C(O)C3O)nsc12 MOL32694
-c1ccc2c3c([nH]c2c1)C1c2[nH]c4ccccc4c2CCN1CC3 MOL32695
-COC(=O)C1=C(C)NC(CF)=C(C(=O)OC)C1c1cccc2c(=O)c3ccccc3oc12 MOL32696
-N#Cc1c(N2CCCC2)nsc1Nc1ccccc1 MOL32697
-Br.CCOC(=O)c1c(N2CCCC2)nsc1Nc1ccccc1 MOL32698
-N#Cc1c(N2CCCC2)nsc1Nc1ccc(F)cc1 MOL32699
-CCOC(=O)c1c(N2CCCC2)nsc1Nc1ccc(F)cc1 MOL32700
-N#CC1=C(N2CCCC2)NC(=O)CC1=O MOL32701
-CCOC(=O)C1=C(N2CCCC2)NC(=O)CC1=O MOL32702
-CNC(=O)C(C#N)=C(N)N1CCCC1 MOL32703
-CNC(=S)C(C#N)=C(N)N1CCCC1 MOL32704
-CCOC(=O)C(C(=S)NC)=C(N)N1CCCC1 MOL32705
-N#CC(C(=O)Nc1ccccc1)=C(N)N1CCCC1 MOL32706
-N#CC(C(=S)Nc1ccccc1)=C(N)N1CCCC1 MOL32707
-CCOC(=O)C(C(=S)Nc1ccccc1)=C(N)N1CCCC1 MOL32708
-N#CC(C(=O)NCc1ccccc1)=C(N)N1CCCC1 MOL32709
-N#CC(C(=S)NCc1ccccc1)=C(N)N1CCCC1 MOL32710
-CCOC(=O)C(C(=S)NCc1ccccc1)=C(N)N1CCCC1 MOL32711
-Cn1cnc(N2CCCC2)c(C#N)c1=O MOL32712
-Cn1cnc(N2CCCC2)c(C#N)c1=S MOL32713
-CCOC(=O)c1c(N2CCCC2)ncn(C)c1=S MOL32714
-N#Cc1c(N2CCCC2)ncn(-c2ccccc2)c1=O MOL32715
-N#Cc1c(N2CCCC2)ncn(-c2ccccc2)c1=S MOL32716
-CCOC(=O)c1c(N2CCCC2)ncn(-c2ccccc2)c1=S MOL32717
-N#Cc1c(N2CCCC2)ncn(Cc2ccccc2)c1=O MOL32718
-N#Cc1c(N2CCCC2)ncn(Cc2ccccc2)c1=S MOL32719
-CCOC(=O)c1c(N2CCCC2)ncn(Cc2ccccc2)c1=S MOL32720
-CCOC(=O)Cn1sc2ncc([N+](=O)[O-])cc2c1=O MOL32721
-CC12Nc3c(Cl)cc(Cl)cc3N1C(=O)c1ccccc12 MOL32722
-COc1c(C(=O)O)cccc1-c1cccc(C(=O)NCCN(CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)CCNC(=O)c2cccc(-c3cccc(C(=O)O)c3OC)c2OC)c1OC MOL32723
-COc1c(C(=O)NCCN(CCNC(=O)c2cccc(-c3cccc(C(=O)N(C)C)c3OC)c2OC)CCNC(=O)c2cccc(-c3cccc(C(=O)N(C)C)c3OC)c2OC)cccc1-c1cccc(C(=O)N(C)C)c1OC MOL32724
-COC(=O)C1=NN2c3ccccc3C(=O)OCCC2C1 MOL32725
-COC(=O)C1=NN2c3ccccc3C(=O)OCCC2(C)C1 MOL32726
-Nc1c2ccccc2nc2ccc3c(=O)cc(-c4ccccc4)oc3c12 MOL32727
-COc1cccc2c(=O)oc(-c3ccccc3C)nc12 MOL32728
-Cc1cccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)c1 MOL32729
-CCCCCn1c(=O)c2c(=O)[nH][nH]c2c2ccccc21 MOL32730
-CCNC(=O)c1c(O)nc2ccccc2c1O MOL32731
-O=C(NCc1ccccc1)c1c(O)nc2ccccc2c1O MOL32732
-O=C(NCCc1ccccc1)c1c(O)nc2ccccc2c1O MOL32733
-O=C(NCc1ccccc1Cl)c1c(O)nc2ccccc2c1O MOL32734
-CCOC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 MOL32735
-O=C(NCCN1CCOCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 MOL32736
-O=C(NCCN1CCCC1)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 MOL32737
-CCN(CC)CCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 MOL32738
-O=c1nc2ccc3sc4ccccc4c(=O)c3n2c(=O)[nH]1 MOL32739
-CN(C)CCCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 MOL32740
-S=c1sc2nc(Cl)nc(Cl)c2s1 MOL32741
-Clc1nc(Cl)c2sc(=[Se])sc2n1 MOL32742
-CN(C)c1ccc(C2=C([O-])c3cc(-[n+]4ccccc4)ccc3C2=O)cc1 MOL32743
-Oc1ccc([I+]c2ccccc2)cc1O.[Br-] MOL32744
-Nc1nc([O-])c([I+]c2ccccc2)c(O)n1 MOL32745
-COc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 MOL32746
-Cc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 MOL32747
-O=C1Cc2c([nH]c3ccc(F)cc23)-c2ccccc2N1 MOL32748
-OCC1SC(n2cnc3c(O)ncnc32)C(O)C1O MOL32749
-COc1cc2c(cc1O)C1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4Cc3ccc(O)cc3)C(C2)N1C MOL32750
-O=C(O)CCSCc1cc(C(=O)Nc2ccc(C=Cc3ccc(NC(=O)c4cc(CSCCC(=O)O)c5ccccc5c4O)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c(O)c2ccccc12.[NaH] MOL32751
-COCCN(C(C)=O)C1CCC2(SCCS2)c2[nH]c3ccccc3c21 MOL32752
-COCCN(C(=O)c1ccccc1)C1CCC2(SCCS2)c2[nH]c3ccccc3c21 MOL32753
-COCCN(C(=O)c1ccccc1)C1CCC(=O)c2[nH]c3ccccc3c21 MOL32754
-COC(CN(C(C)=O)C1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC MOL32755
-COC(CN(C(=O)c1ccccc1)C1CCC2(SCCS2)c2[nH]c3ccccc3c21)OC MOL32756
-COCCNC1CCC2(SCCS2)c2[nH]c3ccccc3c21 MOL32757
-COCCNC1CCC(=O)c2[nH]c3ccccc3c21 MOL32758
-CCC1(O)CN(CCOC)C2CC1C(=O)c1[nH]c3ccccc3c12 MOL32759
-O=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)cc2OS(=O)(=O)O)oc2cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c12.[KH] MOL32760
-O=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c2)oc2cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c12.[KH] MOL32761
-CCCCCC(=Nc1nn[nH]c1C(N)=O)OCC MOL32762
-CCCCCC(=O)Nc1nc[nH]c1C(N)=O MOL32763
-CCCCCC(=O)Nc1nn[nH]c1C(N)=O MOL32764
-CCCCCC(=O)Nc1nn[nH]c1C#N MOL32765
-CCCCCOC(=O)C(=O)Nc1nn[nH]c1C(N)=O MOL32766
-CCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(O)C(O)C12CO2 MOL32767
-COc1cc(C(=O)OC2C(OC)OC3COC(c4ccccc4)OC3C2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL32768
-O=c1c2ccccc2oc2c1ccc1ncccc12 MOL32769
-Cc1c2ncccc2cc2oc3ccccc3c(=O)c12 MOL32770
-CN(C)c1ccc(-c2ccc(N(C)C)c3n[se]nc23)c2n[se]nc12 MOL32771
-O=S1(=O)c2ccccc2C(Nc2ccccc2)N1c1ccccc1 MOL32772
-COCn1c(=O)n(C)c(=O)c2c1nc1c(c(=O)n(C)c(=O)n1COC)[n+]2[O-] MOL32773
-O=c1[nH]c2nccn2c(Cl)c1Br MOL32774
-O=c1[nH]c2nccn2c2c1SCCN2 MOL32775
-c1cc2nsnc2c2c[nH]cc12 MOL32776
-CN(N=C(C(=O)O)c1ccccc1)C1=NCCN1.I MOL32777
-CN(N=C(C(=O)O)c1ccccc1)C1=NCCCN1.I MOL32778
-CN(N=C(C(=O)O)c1ccccc1)C1=NCCCCN1.I MOL32779
-CN(N=Cc1ccc2ccccc2c1)C1=NCCN1.I MOL32780
-CN(N=Cc1ccc2ccccc2c1)C1=NCCCN1.I MOL32781
-CN(N=Cc1ccc2ccccc2c1)C1=NCCCCN1.I MOL32782
-C(=NNC1=NCCN1)c1ccc2ccccc2c1.I MOL32783
-C(=NNC1=NCCCN1)c1ccc2ccccc2c1.I MOL32784
-C(=NNC1=NCCCCN1)c1ccc2ccccc2c1.I MOL32785
-COc1cc(C=NNC2=NCCN2)ccc1O.I MOL32786
-COc1cc(C=NNC2=NCCCN2)ccc1O.I MOL32787
-COc1cc(C=NNC2=NCCCCN2)ccc1O.I MOL32788
-C(Cc1ccc2c(c1)OCO2)=NNC1=NCCN1.I MOL32789
-C(Cc1ccc2c(c1)OCO2)=NNC1=NCCCN1.I MOL32790
-C(Cc1ccc2c(c1)OCO2)=NNC1=NCCCCN1.I MOL32791
-CN(NC(=O)CCCl)C1=NCCN1.I MOL32792
-CN(NC(=O)CCCl)C1=NCCCCN1.I MOL32793
-CN(NC(=O)c1ccco1)C1=NCCN1.I MOL32794
-CN(NC(=O)c1ccco1)C1=NCCCCN1.I MOL32795
-CCOC(=O)C(=O)C(=O)NN(C)C1=NCCN1.I MOL32796
-I.O=C(CCCl)NNC1=NCCN1 MOL32797
-I.O=C(CCCl)NNC1=NCCCN1 MOL32798
-I.O=C(CCCl)NNC1=NCCCCN1 MOL32799
-I.O=C(NNC1=NCCN1)c1ccco1 MOL32800
-I.O=C(NNC1=NCCCN1)c1ccco1 MOL32801
-CCOC(=O)CC(=O)C(=O)NNC1=NCCN1.I MOL32802
-CCOC(=O)CC(=O)C(=O)NNC1=NCCCN1.I MOL32803
-I.O=C(O)c1ccccc1C=NN(CCO)C1=NCCN1 MOL32804
-I.O=C(O)c1ccc(C=NN(CCO)C2=NCCN2)cc1 MOL32805
-I.OCCN(N=Cc1ccc2ccccc2c1)C1=NCCN1 MOL32806
-Cc1nnc2n(c1=O)CCN2C.I MOL32807
-Cc1nnc2n(c1=O)CCCN2C.I MOL32808
-CN1NC2=NCCCN2C1=O MOL32809
-O=C1N(CCO)NC2=NCCCN12 MOL32810
-CC(C=NN(C)C1=NCCCN1)=NN(C)C1=NCCCN1.I MOL32811
-CC(C=NN(C)C1=NCCCCN1)=NN(C)C1=NCCCCN1.I MOL32812
-I.OCCN(C1=NCCN1)[N+](=Cc1ccccn1)[CH-]c1ccccn1 MOL32813
-CN(N=Cc1ccc(C(=O)O)cc1)C1=NCCCCN1.I MOL32814
-I.S=C(NNC1=NCCCCN1)Nc1ccccc1 MOL32815
-Nc1nccc(NCC2(CO)CCC2)n1 MOL32816
-Nc1nccc(NCC2(CO)CC(OCc3ccccc3)C2)n1 MOL32817
-Cl.Nc1nccc(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32818
-Nc1ncc(Br)c(NCC2(CO)CCC2)n1 MOL32819
-Nc1ncc(Cl)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32820
-N#Cc1cnc(N)nc1NCC1(CO)CC(CCc2ccccc2)C1 MOL32821
-CC(=O)OCC1(CNc2nc(N)ncc2C#N)CC(CCc2ccccc2)C1 MOL32822
-Cl.Nc1ncc(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32823
-Nc1ncc(C=O)c(NCC2(CO)CCC2)n1 MOL32824
-Nc1ncc(C=NO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32825
-OCC1(CNc2cc(Cl)ncn2)CCC1 MOL32826
-Nc1c(Cl)ncnc1NCC1(CO)CCC1 MOL32827
-Nc1nc(Cl)cc(NC2(CO)CCC2)n1 MOL32828
-CC(C)(CO)CNc1cc(Cl)nc(N)n1 MOL32829
-CC(C)(CO)CNc1nc(N)nc(Cl)c1C=O MOL32830
-CC(C)(CO)CNc1nc(N)nc(Cl)c1C=NO MOL32831
-CCC(CC)(CO)CNc1cc(Cl)nc(N)n1 MOL32832
-CC(C)(CO)CNc1nc(N)nc(Cl)c1N MOL32833
-Nc1nc(Cl)cc(NCC2(CO)COC2)n1 MOL32834
-Nc1nc(Cl)cc(NCC2CC(O)(CO)C2)n1 MOL32835
-Nc1nc(Cl)cc(NCC2(O)CCC2)n1 MOL32836
-Nc1nc(Cl)cc(NCC2(O)CCCC2)n1 MOL32837
-C=C1CC(CNc2cc(Cl)nc(N)n2)C1 MOL32838
-Nc1nc(Cl)cc(NCC2(O)CC(CO)C2)n1 MOL32839
-Nc1nc(Cl)cc(NCC2(O)CC2)n1 MOL32840
-Nc1nc(Cl)c(Cl)c(NCC2(O)CCC2)n1 MOL32841
-CC(O)C1CC1(CO)CNc1cc(Cl)nc(N)n1 MOL32842
-Nc1nc(Cl)cc(NCC2(CO)CCC2)n1 MOL32843
-CC(O)C1(CNc2cc(Cl)nc(N)n2)CCC1 MOL32844
-Nc1nc(Cl)cc(NCC2(CCO)CCC2)n1 MOL32845
-Nc1nc(Cl)cc(NCC2(CO)CC(O)C2)n1 MOL32846
-Nc1nc(Cl)cc(NCC2(CO)CC(OCc3ccccc3)C2)n1 MOL32847
-COC1(OC)CC(CO)(CNc2cc(Cl)nc(N)n2)C1 MOL32848
-Nc1nc(Cl)cc(NCC2(CO)CC(=O)C2)n1 MOL32849
-CC(C)C1CC(CO)(CNc2cc(Cl)nc(N)n2)C1 MOL32850
-Nc1nc(Cl)cc(NCC2(CO)CC(Cc3ccccc3)C2)n1 MOL32851
-Nc1nc(Cl)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32852
-Nc1nc(Cl)cc(NCC2(CO)CC(CCCc3ccccc3)C2)n1 MOL32853
-CC(O)C1(CNc2cc(Cl)nc(N)n2)CC(CCc2ccccc2)C1 MOL32854
-Nc1nc(Cl)cc(NCC2(CO)CC(c3ccccc3)C2)n1 MOL32855
-Nc1nc(Cl)cc(NCC2(CO)CCCC2)n1 MOL32856
-CC(O)C1(CNc2cc(Cl)nc(N)n2)CCCC1 MOL32857
-Nc1nc(Cl)cc(NCC2(CO)CC=CC2)n1 MOL32858
-Nc1nc(Cl)cc(NCC2(CO)CCC(O)C2)n1 MOL32859
-Nc1nc(Cl)cc(NCC2(CO)CCC(OCc3ccccc3)C2)n1 MOL32860
-Nc1nc(Cl)cc(NCC2(CO)CCCCC2)n1 MOL32861
-CC(O)C1(CNc2cc(Cl)nc(N)n2)CCCCC1 MOL32862
-Nc1nc(Cl)cc(NCCC2(CO)CCC2)n1 MOL32863
-CN(CC1(CO)CCC1)c1cc(Cl)nc(N)n1 MOL32864
-Nc1nc(Cl)c(N)c(NCC2(CO)CC2)n1 MOL32865
-Nc1nc(Cl)c(N)c(NCC2(CO)CCC2)n1 MOL32866
-Nc1nc(Cl)c(N)c(NCC2(CO)CC(OCc3ccccc3)C2)n1 MOL32867
-Nc1nc(Cl)c(N)c(NCC2(CO)CC(O)C2)n1 MOL32868
-Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(Cc3ccccc3)C2)n1 MOL32869
-Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32870
-Nc1nc(Cl)c(N)c(NCC2(CO)CCCC2)n1 MOL32871
-Nc1nc(Cl)c(N)c(NCC2(CO)CCC(OCc3ccccc3)C2)n1 MOL32872
-Nc1nc(Cl)c(C=O)c(NCC2(CO)CCC2)n1 MOL32873
-COC1(OC)CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1 MOL32874
-CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2C=O)C1 MOL32875
-Nc1nc(Cl)c(C=O)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32876
-Nc1nc(Cl)c(CO)c(NCC2(CO)CCC2)n1 MOL32877
-Nc1nc(Cl)c(CO)c(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32878
-Nc1nc(Cl)c(C=NO)c(NCC2(CO)CCC2)n1 MOL32879
-Nc1nc(Cl)c(C=NO)c(NCC2(CO)CC(=O)C2)n1 MOL32880
-COC1(OC)CC(CO)(CNc2nc(N)nc(Cl)c2C=NO)C1 MOL32881
-CC(C)C1CC(CO)(CNc2nc(N)nc(Cl)c2C=NO)C1 MOL32882
-CC(=O)Nc1nc(Cl)cc(NCC2(CO)CCC2)n1 MOL32883
-Nc1nc(O)cc(NCCCO)n1 MOL32884
-CC(C)(CO)CNc1cc(O)nc(N)n1 MOL32885
-Nc1nc(O)cc(NCC2(CO)CC2)n1 MOL32886
-Nc1nc(O)cc(NCC2(CO)CCC2)n1 MOL32887
-Nc1nc(O)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1 MOL32888
-COC1C=C(NCC2(CO)CCC2)NC(=N)N1 MOL32889
-N=C1NC(NCC2(CO)CCC2)=CC(OCC2(CO)CCC2)N1 MOL32890
-CC1C=C(NCC2(CO)CCC2)NC(=N)N1 MOL32891
-C=C1CC(COc2cc(Cl)nc(N)n2)C1 MOL32892
-Nc1nc(Cl)cc(OCC2CC(O)(CO)C2)n1 MOL32893
-Nc1nc(Cl)cc(OCC2(O)CC(COC(=O)c3ccccc3)C2)n1 MOL32894
-Nc1nc(Cl)cc(OCC2(CO)CC2)n1 MOL32895
-C=CC1CC1(CO)COc1cc(Cl)nc(N)n1 MOL32896
-Nc1nc(Cl)cc(OCC2(CO)CCC2)n1 MOL32897
-COC1(OC)CC(CO)(COc2cc(Cl)nc(N)n2)C1 MOL32898
-Nc1nc(Cl)cc(OCC2(CO)CC(OCc3ccccc3)C2)n1 MOL32899
-Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CC2)n1 MOL32900
-Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CCC2)n1 MOL32901
-Nc1nc(Cl)c(N=Nc2ccc(Cl)cc2)c(NCC2(CO)CC(OCc3ccccc3)C2)n1 MOL32902
-NC(=O)c1ncn(CC2(COC(=O)c3ccccc3)CCC2)n1 MOL32903
-NC(=O)c1ncn(CC2(CO)CCC2)n1 MOL32904
-NC(=O)c1ncn(CC=CCO)c1N MOL32905
-NC(=O)c1ncn(CCCCCO)c1N MOL32906
-NC(=O)c1ncn(CC2(CO)CCC2)c1N MOL32907
-CC(=O)OCCCCCn1cnc(C(N)=O)c1N MOL32908
-CC(=O)OCC=CCn1cnc(C(N)=O)c1N MOL32909
-CCOP(=O)(CC=CCn1cnc(C(N)=O)c1N)OCC MOL32910
-CCOP(=O)(CCCC(O)CNc1cc(Cl)nc(N)n1)OCC MOL32911
-CCOP(=O)(CC1CC(O)(CNc2cc(Cl)nc(N)n2)C1)OCC MOL32912
-CCOP(=O)(CCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC MOL32913
-CCOP(=O)(CCCC(O)CNc1nc(N)nc(Cl)c1N=Nc1ccc(Cl)cc1)OCC MOL32914
-O=c1ccn(CC2(CO)CCC2)c(=O)[nH]1 MOL32915
-O=c1ccn(CC2(CO)CC(Cc3ccccc3)C2)c(=O)[nH]1 MOL32916
-O=c1ccn(CC2(CO)CCCC2)c(=O)[nH]1 MOL32917
-Cc1cn(CC2(CO)CCC2)c(=O)[nH]c1=O MOL32918
-Nc1cccnc1NCC1(CO)CCCC1 MOL32919
-O=[N+]([O-])c1cccnc1NCC1(CO)CC(Cc2ccccc2)C1 MOL32920
-O=[N+]([O-])c1cccnc1NCC1(CO)CCCC1 MOL32921
-Nc1nc(Cl)cc(OCC2(CO)CCCC2)n1 MOL32922
-Nc1nc(Cl)cc(OCC2(CO)CC=CC2)n1 MOL32923
-Nc1nc(Cl)cc(OCC2(CO)CCCCC2)n1 MOL32924
-CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O MOL32925
-OCC1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 MOL32926
-CC(=O)C(C(C)=O)C1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 MOL32927
-CC(=O)OCCC1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 MOL32928
-O=C1c2ccccc2C=CC(c2ccccc2)=NN1c1ccccc1Cl MOL32929
-COCOc1c(C(OCOC)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC MOL32930
-COCOc1c(C(O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC MOL32931
-c1ccc(N=C2SC(c3ccccc3)CN2C23CC4CC(CC(C4)C2)C3)cc1 MOL32932
-CN(C)c1ccc(Cc2cc3c(O)ccc(O)c3cc(Cc3ccc(N(C)C)cc3)c2=O)cc1 MOL32933
-O=C1c2cc(Cc3ccccc3)c(=O)c(Cc3ccccc3)cc2C(=O)c2cc(Cc3ccccc3)c(=O)c(Cc3ccccc3)cc21 MOL32934
-N#Cc1c(Nc2ccccc2)n2[nH]c(=N)c(N=Nc3ccccc3)c2[nH]c1=N MOL32935
-N#Cc1c(-c2ccc(Cl)cc2)c2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2 MOL32936
-Nc1ncnc2c1ncn2C1OC(CO)C(O)C(O)C1O MOL32937
-CCOC(=O)c1[nH]c2ccccc2c1C(=O)CC(NC(=O)C(F)(F)F)C(=O)OC MOL32938
-CCOC(=O)c1[nH]c2cccc3c2c1CCC(NC(=O)C(F)(F)F)C3=O MOL32939
-COC(=O)c1ccc(NCc2cc(OC)ccc2OC)cc1 MOL32940
-Cl.Nc1ccccc1OCCCOc1ccccc1N MOL32941
-C=CCOc1ccccc1N=NC(C#N)=NNc1ccccc1OCC=C MOL32942
-CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(N)=O MOL32943
-CC(C)(C)OC(=O)NC(Cc1ccc(O)cn1)C(N)=O MOL32944
-NC(=O)C(N)Cc1ccc(O)cn1 MOL32945
-NC(Cc1ccc(O)cn1)C(=O)O MOL32946
-CC(C)(C)OC(=O)NC(Cc1ccc(O)cn1)C(=O)O MOL32947
-O=C(O)C(Cc1ccc(O)cn1)NC(=O)C(F)(F)F MOL32948
-NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)O MOL32949
-CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)O MOL32950
-NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)OCc1ccccc1 MOL32951
-O=C(OCc1ccccc1)C(Cc1ccc(OCc2ccccc2)cn1)NC(=O)C(F)(F)F MOL32952
-NC(Cc1ccc(O)cn1)C(=O)NC(C(=O)O)c1ccccc1 MOL32953
-CC(NC(=O)C(N)Cc1ccc(O)cn1)C(=O)O MOL32954
-NCCCCC(NC(=O)C(N)Cc1ccc(O)cn1)C(=O)O MOL32955
-O=S(=O)(c1ccccc1)C(c1ccc2ccccc2n1)S(=O)(=O)c1ccccc1 MOL32956
-Clc1cccc(N=CC=CNc2cccc(Cl)c2)c1 MOL32957
-COc1ccc(N=CC=CNc2ccc(OC)cc2)cc1 MOL32958
-C(=CNc1ccc(Oc2ccccc2)cc1)C=Nc1ccc(Oc2ccccc2)cc1 MOL32959
-C(=CNc1ccc(-c2ccccc2)cc1)C=Nc1ccc(-c2ccccc2)cc1 MOL32960
-Fc1ccc(N=CC=CNc2ccc(F)cc2)cc1 MOL32961
-O=[N+]([O-])c1ccc(N=CC=CNc2ccc([N+](=O)[O-])cc2)cc1 MOL32962
-Clc1cc(Cl)cc(N=CC=CNc2cc(Cl)cc(Cl)c2)c1 MOL32963
-CS(=O)(=O)c1ccc(N=CC=CNc2ccc(S(C)(=O)=O)cc2)cc1 MOL32964
-Clc1ccc(N=CC=CNc2ccc(Cl)cn2)nc1 MOL32965
-N#CC(C#N)=Cc1cc(O)c(O)c(O)c1 MOL32966
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1 MOL32967
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL32968
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL32969
-N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1 MOL32970
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCc1ccc(O)c(O)c1 MOL32971
-N#CC(=Cc1ccccc1)S(=O)(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL32972
-N#CC(=Cc1ccc(O)c(O)c1)C(=S)NCc1ccccc1 MOL32973
-N#CC(=Cc1cc(O)c(O)c(Br)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(Br)c1 MOL32974
-N#CC(=Cc1cc(O)c(O)c(I)c1)C(=O)NCCCc1ccccc1 MOL32975
-CC=CCSc1cc(NC(=S)c2ccsc2C)ccc1Cl MOL32976
-Cl.O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCn3ccnc3[N+](=O)[O-])c12 MOL32977
-OCC1SC(c2ccccc2)CC1O MOL32978
-O=P1(Oc2ccccc2)OCC2SC(c3ccccc3)CC2O1 MOL32979
-N#CC1(C#N)NC(c2cccs2)C(C#N)(C#N)NC1c1cccs1 MOL32980
-N#CC1(C#N)NC(c2ccsc2)C(C#N)(C#N)NC1c1ccsc1 MOL32981
-[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCCl MOL32982
-O=[N+]([O-])c1c(F)c(F)c2c(c1F)Nc1ccccc1S2 MOL32983
-CCOC(=O)C(O)C(O)C(=O)NCc1ccc(C(=O)c2ccccc2)cc1 MOL32984
-O=[N+]([O-])c1cc([N+](=O)[O-])c(-[c-]2nc(Cl)c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[n+]2=O)c([N+](=O)[O-])c1 MOL32985
-O=[N+]([O-])c1ccc(Sc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 MOL32986
-Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c3[N+](=O)[O-])s2)c1[N+](=O)[O-] MOL32987
-COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1 MOL32988
-CNc1ccc(S(=O)Nc2ccc(OC)cc2)cc1 MOL32989
-O=S(Nc1ccccc1)c1ccc(Cl)cc1 MOL32990
-COc1ccc(NS(=O)c2ccc(OC)cc2)cc1 MOL32991
-CNc1ccc(S(=O)Nc2ccccc2)cc1 MOL32992
-O=S(Nc1ccccc1)c1ccc(-c2ccccc2)cc1 MOL32993
-COc1ccc(NS(=O)c2c(C)cc(C)cc2C)cc1 MOL32994
-O=S(Nc1ccccc1)c1ccc(N2CCOCC2)cc1 MOL32995
-COc1ccc(NS(=O)CCCc2ccccc2)cc1 MOL32996
-COc1ccccc1S(=O)Nc1ccccc1 MOL32997
-O=S(Nc1ccccc1)c1ccc(Cl)c(Cl)c1 MOL32998
-COc1ccc(NS(=O)c2ccc(Cl)cc2)cc1 MOL32999
-CN(C)c1ccc(S(=O)Nc2ccccc2)cc1 MOL33000
-COc1ccc(NS(=O)c2ccccc2OC)cc1 MOL33001
-O=S(CCc1ccccc1)Nc1ccccc1 MOL33002
-COc1ccc(NS(=O)C2CCCCC2)cc1 MOL33003
-COc1ccc(NS(=O)CCc2ccccc2)cc1 MOL33004
-COc1ccc(NS(=O)c2cccc(C)c2)cc1 MOL33005
-COc1ccc(NS(=O)c2ccc(-c3ccccc3)cc2)cc1 MOL33006
-O=S(Nc1ccccc1)c1cccc(Cl)c1 MOL33007
-O=S(Nc1ccccc1)c1ccccc1Oc1ccccc1 MOL33008
-CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=NO MOL33009
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL33010
-O=S(=O)(O)c1cc(NC(=S)c2ccc3cccnc3c2O)ccc1C=Cc1ccc(NC(=S)c2ccc3cccnc3c2O)cc1S(=O)(=O)O.[NaH] MOL33011
-COC(=O)C1CC2c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC MOL33012
-COC(=O)C1CC2(Br)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC MOL33013
-C=CCC12CC(C(=O)OC)N(C(=O)OC)C1N(S(=O)(=O)c1ccccc1)c1ccccc12 MOL33014
-COC(=O)C1CC2(CC=O)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC MOL33015
-COC(=O)C1CC2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)C2N1C(=O)OC MOL33016
-COC(=O)N1CCC2(CC=C(C)C)c3ccccc3N(S(=O)(=O)c3ccccc3)C12 MOL33017
-CC(C)=CCC12CCNC1N(S(=O)(=O)c1ccccc1)c1ccccc12 MOL33018
-CC(C)=CCC12CCN(C)C1N(S(=O)(=O)c1ccccc1)c1ccccc12 MOL33019
-CC(C)=CCN1c2ccccc2C2(CC=C(C)C)CCN(C)C12 MOL33020
-COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 MOL33021
-CC(=O)OCC1OC(n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33022
-CC(=O)OCC1OC(n2c3c(c(-c4ccc(C)cc4)c(C#N)c2=S)C(=O)CC(C)(C)C3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33023
-COc1ccc(-c2c3c(n(C4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 MOL33024
-CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)c(C#N)c(=S)n(C3OC(CO)C(O)C(O)C3O)c2C1 MOL33025
-COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 MOL33026
-Cc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1 MOL33027
-N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccco1 MOL33028
-N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1cccs1 MOL33029
-N#CC1=C(S)N(C2OC(CO)C(O)C(O)C2O)C(c2ccccc2)=CC1c1ccccc1 MOL33030
-CC(=O)OCC1OC(N2C(c3ccccc3)=CC(c3ccccc3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33031
-CC(=O)OCC1OC(n2c(C)cc(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33032
-Cc1cc(C)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL33033
-CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(c3ccc(Cl)cc3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33034
-CC(=O)OCC1OC(N2C(C)=C(C(C)=O)C(c3ccco3)C(C#N)=C2S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33035
-COc1ccc(C2C(C#N)=C(S)N(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(c3ccccc3)=C2C(C)=O)cc1 MOL33036
-CC(=O)OCC1OC(N2C(S)=C(C#N)C(c3ccco3)C(C(C)=O)=C2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33037
-COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(c3ccccc3)=C2C(C)=O)cc1 MOL33038
-COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(C)=C2C(C)=O)cc1 MOL33039
-CC(=O)C1=C(c2ccccc2)N(C2OC(CO)C(O)C(O)C2O)C(S)=C(C#N)C1c1ccc(Cl)cc1 MOL33040
-CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33041
-CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33042
-CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33043
-CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33044
-CC(=O)OCC1OC(n2c3c(cc(C#N)c2=S)CCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33045
-CC(=O)OCC1OC(n2c3c(cc(C#N)c2=O)CCCCCC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33046
-N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCCCC2 MOL33047
-N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2 MOL33048
-N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCC2 MOL33049
-N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCCCC2 MOL33050
-N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCCC2 MOL33051
-N#Cc1cc2c(n(C3OC(CO)C(O)C(O)C3O)c1=S)CCCC2 MOL33052
-COc1ccc(OC)c(CNc2ccc(C(=O)O)cc2)c1 MOL33053
-COC(=O)C(N)C(C)c1c[nH]c2ccccc12 MOL33054
-C=C(NC(=O)C(=C)NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1nc(oc1C)C(=C)NC(=O)C(C(C)(C)O)NC(=O)C(=C)NC(=O)c1coc(n1)C(=CC)NC(=O)C(C(C)O)NC(=O)c1csc-2n1)C(N)=O MOL33055
-C=CC(C)(C)n1cc(C2=C3OC(=O)C(c4cn(C(C)(C)C=C)c5ccccc45)=C3OC2=O)c2ccccc21 MOL33056
-C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC(C)=O)C2=O)c2ccccc21 MOL33057
-C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3c(CC=C(C)C)[nH]c4ccccc34)=C(O)C2=O)c2ccccc21 MOL33058
-CC(C)=CCc1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c(CC=C(C)C)[nH]c3ccccc23)=C(O)C1=O MOL33059
-CCOc1nc(-c2ccccc2)cc(-c2ccc(N3CCOCC3)cc2)c1C#N MOL33060
-CN(C)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCC=C3C4CCC3N=N4)cn2C)cn1C MOL33061
-C=CC(C#CC#CCCCCCCC)O[Si](C)(C)C(C)(C)C MOL33062
-O=c1[nH]c(=O)n(COCCO)c2ccsc12 MOL33063
-O=c1[nH]c2ccsc2c(=O)n1COCc1ccccc1 MOL33064
-CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CCC2 MOL33065
-CC(=O)OCCOCn1c2c(c(=S)[nH]c1=O)CCC2 MOL33066
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ccsc12 MOL33067
-CC(=O)OCC1OC(n2c(=O)[nH]c(=O)c3sccc32)C(Br)C1OC(C)=O MOL33068
-Oc1nc(O)c2c(n1)CC(c1ccccc1)S2 MOL33069
-O=C1NC(=O)C(COCc2ccccc2)C2=C1SCCC2 MOL33070
-COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1 MOL33071
-c1ccc(-c2csc3c2-n2cccc2C3N2CCCC2)cc1 MOL33072
-Cc1csc2c(=O)n(C3OC(CO)C(O)C3O)c(=O)[nH]c12 MOL33073
-Cc1csc2c(=O)n(COCc3ccccc3)c(=O)[nH]c12 MOL33074
-CC#[N+][Rh+2]1234[O+]=C5CCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1CCC(C(=O)OC)[NH+]12)([O+]=C1CCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)CCC1C(=O)OC MOL33075
-CC#[N+][Rh+2]1234[O+]=C5CCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1CCC(C(=O)OC)[NH+]12)([O+]=C1CCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)CCC1C(=O)OC MOL33076
-CC#[N+][Rh+2]1234[O+]=C5OCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1OCC(C(=O)OC)[NH+]12)([O+]=C1OCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)OCC1C(=O)OC MOL33077
-CC#[N+][Rh+2]1234[O+]=C5OCC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1OCC(C(=O)OC)[NH+]12)([O+]=C1OCC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)OCC1C(=O)OC MOL33078
-CC#[N+][Rh+2]1234[O+]=C5N(C(C)=O)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(C)=O)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(C)=O)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(C)=O)CC1C(=O)OC MOL33079
-CC#[N+][Rh+2]1234[O+]=C5N(C(=O)c6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)c5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)c2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)c2ccccc2)CC1C(=O)OC MOL33080
-CC#[N+][Rh+2]1234[O+]=C5N(C(=O)Cc6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)Cc5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)Cc2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)Cc2ccccc2)CC1C(=O)OC MOL33081
-CC#[N+][Rh+2]1234[O+]=C5N(C(=O)CCc6ccccc6)CC(C(=O)OC)[NH+]5[Rh+2]1([N+]#CC)([O+]=C1N(C(=O)CCc5ccccc5)CC(C(=O)OC)[NH+]12)([O+]=C1N(C(=O)CCc2ccccc2)CC(C(=O)OC)[NH+]13)[NH+]1C(=[O+]4)N(C(=O)CCc2ccccc2)CC1C(=O)OC MOL33082
-COC(=O)C1CN(C(=O)c2ccccc2)C(=O)N1 MOL33083
-COC(=O)C1CN(C(=O)CCc2ccccc2)C(=O)N1 MOL33084
-COC(=O)C1CN(C(C)=O)C(=O)N1C(=O)OCc1ccccc1 MOL33085
-COC(=O)C1CN(C(=O)c2ccccc2)C(=O)N1C(=O)OCc1ccccc1 MOL33086
-COC(=O)C1CN(C(=O)CCc2ccccc2)C(=O)N1C(=O)OCc1ccccc1 MOL33087
-COC(=O)C1COC(=O)N1 MOL33088
-COC(=O)C1COC(=O)N1 MOL33089
-O=c1[nH]nc(Cc2ccc(Cl)cc2)n1O MOL33090
-O=c1[nH]nc(-c2ccccc2)n1O MOL33091
-O=c1[nH]nc(-c2ccccc2)n1-c1cccc([N+](=O)[O-])c1 MOL33092
-CCc1n[nH]c(=O)n1-c1ccc2ccccc2c1 MOL33093
-O=c1[nH]nc(Cc2ccccc2)n1C1CC1 MOL33094
-O=c1[nH]nc(Cc2ccccc2)n1C1CCCC1 MOL33095
-Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL33096
-O=c1[nH]nc(-c2ccccc2)n1Nc1ccccc1 MOL33097
-CC(C)CCc1n[nH]c(=O)n1N=Cc1ccccc1 MOL33098
-Cc1n[nH]c(=O)n1N=Cc1ccncc1 MOL33099
-[CH2-][Pd-2]1([CH2-])[N+](C)(C)CC[N+]1(C)C MOL33100
-[CH2-][Pd-2]1([CH2-])[N+](c2ccccc2)=Cc2cccc[n+]21 MOL33101
-[CH2-][Pd-2]1([CH2-])[N+](c2ccc(C)cc2)=Cc2cccc[n+]21 MOL33102
-[CH2-][Pd-2]1([CH2-])[N+](c2ccc(OC)cc2)=Cc2cccc[n+]21 MOL33103
-[CH2-][Pd-2]1([CH2-])[N+](c2ccc(C(F)(F)F)cc2)=Cc2cccc[n+]21 MOL33104
-[CH2-][Pd-2]1([CH2-])[N+](c2ccc([N+](=O)[O-])cc2)=Cc2cccc[n+]21 MOL33105
-[CH2-][Pd-2]1([CH2-])[PH](c2ccccc2)(c2ccccc2)CCC[PH]1(c1ccccc1)c1ccccc1 MOL33106
-[CH2-][Pd-2]1([CH2-])[n+]2cccc3ccc4ccc[n+]1c4c32 MOL33107
-CCOP(=O)(O)C(C)(C)NC MOL33108
-CCOP(C)(=O)C(Nc1ccc(F)cc1)c1ccc(F)cc1 MOL33109
-O=P(c1ccccc1)(c1ccccc1)C(NCc1ccccc1)c1ccc(F)cc1 MOL33110
-CCOP(=O)(OCC)C(Nc1ccc(Cl)cc1)c1ccc(F)cc1 MOL33111
-CCOP(=O)(OCC)C(Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 MOL33112
-CCOP(=O)(OCC)C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1 MOL33113
-CC(C)OP(=O)(OC(C)C)C(Nc1cccc(C(F)(F)F)c1)c1ccccc1 MOL33114
-CCOP(=O)(OCC)C(Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 MOL33115
-CCOP(=O)(OCC)C(Nc1ccc(F)cc1)c1ccccc1 MOL33116
-CCOP(=O)(OCC)C(Nc1cccc(F)c1)c1ccc(N(C)C)cc1 MOL33117
-CCOP(=O)(OCC)C(Nc1cccc(F)c1)c1ccccc1 MOL33118
-CCOP(=O)(OCC)C(C)(CC)NC MOL33119
-CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)C(F)=NC(F)(F)F MOL33120
-CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)C(=N)NC#N MOL33121
-CC(C)OP(=O)(CN(C)C(F)=NC(F)(F)F)OC(C)C MOL33122
-Cc1ccc(NC(c2ccccc2)P(=O)(c2ccccc2)c2ccccc2)cc1 MOL33123
-CCOP(=O)(OCC)C(c1ccccc1)N(C(=O)NC(F)(F)F)c1ccc(C)cc1 MOL33124
-CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1cccc(C(F)(F)F)c1 MOL33125
-CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(F)cc1 MOL33126
-CCOP(=O)(OCC)C(c1ccccc1)N(C(=O)NC(F)(F)F)c1cccc(F)c1 MOL33127
-CCOP(=O)(OCC)C(c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(OC)cc1 MOL33128
-CNC(N=C1N(C)C(C)(C)P(=O)(O)N1C)NC MOL33129
-CCC1(C)N(C)C(NC#N)=NP1(=O)O.N MOL33130
-CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)O1 MOL33131
-CC(C)OP(=O)(OC(C)C)C(C(C)C)N(C)C(=N)NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(C(F)(F)F)C(F)(F)F)O1 MOL33132
-CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)O1 MOL33133
-CNC(=O)c1ncn(C2OC(CO)C(O)C2O)n1 MOL33134
-C=C1C(=O)OC2CC3(COC(C)=O)C=COC=C(COC(=O)C(C)C)C3CC12 MOL33135
-C=C1C(=O)OC2CC(C=O)=CC3OC3C(COC(=O)C(C)C)=CCC12 MOL33136
-CCC(O)(CC(=O)OC1C(=O)OC2CC3C(C)=CC(=O)C(O)C3(C)C3C4(O)OCC23C1C(C)C4O)C(C)C MOL33137
-CC1(C)CC(O)C(O)C23C(=O)OC(O)C2C(C=O)=CCC13 MOL33138
-COC(=O)C1CC2(C3C=CN(C(=O)C(F)(F)F)C=C3)c3ccccc3N(C(=O)C(F)(F)F)C2N1C(=O)OC MOL33139
-Nc1cc2ncnn2c(SCC(=O)NN=CC(Br)=Cc2ccccc2)n1 MOL33140
-COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)n(-c3ccccc3)c(=O)n21 MOL33141
-COC(=O)C1C=CC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)n2c(=O)c3ccccc3c(=O)n21 MOL33142
-CC(Br)C(=O)N=[n+]1c2ccccc2nc2c3cccc4cccc(c43)[c-]21 MOL33143
-O=C(CC1CCCN2CCCCC12)N1c2ccccc2Sc2ccc(Cl)cc21 MOL33144
-Cc1ncc2c(=O)c3c(oc2n1)c1ccccc1n3Cc1ccccc1 MOL33145
-CCCCCCCCCCCCCCCCNc1ccn(C2CC(O)C(COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)c(=O)n1 MOL33146
-[Se]=P(c1ccccc1)(c1ccccc1)c1ccc(C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 MOL33147
-CC(C)(C)c1cc2c(OCC=Cc3ccccc3)c(c1)Cc1cc(C(C#N)(OCC=Cc3ccccc3)OCC=Cc3ccccc3)cc(c1OCC=Cc1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCC=Cc1ccccc1)Cc1cc(C(C#N)(OCC=Cc3ccccc3)OCC=Cc3ccccc3)cc(c1OCC=Cc1ccccc1)C2 MOL33148
-COC1=C2CC(OC)(C#CC=CC#CC2O)CC1(C)C MOL33149
-O=c1ccn(C2OC(CO)C(O)C2F)c(=O)n1Cc1ccccc1 MOL33150
-O=C(Cn1c(=O)ccn(C2OC(CO)C(O)C2F)c1=O)c1ccc(F)cc1 MOL33151
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)N(S(=O)(=O)c2ccccc2)c2ncccc21 MOL33152
-N=C1NCC(CN2CCCCC2)O1 MOL33153
-O=S(=O)(N1CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCC1)C(F)(F)F MOL33154
-O=S(=O)(N1CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)C(F)(F)F)CCCCN(S(=O)(=O)C(F)(F)F)CCC1)C(F)(F)F MOL33155
-CC(CC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C)[Si](C)(C)C MOL33156
-CN1CCN(CCCCN2c3ccccc3Sc3ccc(N=[N+]=[N-])cc32)CC1.O=C(O)C=CC(=O)O MOL33157
-CC(=O)N1CC[N+](C)(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1.[I-] MOL33158
-CC(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 MOL33159
-CC(C)(C)c1ccc(O)c(C(O)c2ccccn2)c1 MOL33160
-CC(C)(C)c1ccc(O)c(C(O)c2cccnc2)c1 MOL33161
-CC(C)(C)c1ccc(O)c(C(O)c2ccncc2)c1 MOL33162
-Cc1cccc(C(O)c2ccccn2)c1O MOL33163
-Cc1cccc(C(O)c2cccnc2)c1O MOL33164
-Cc1cccc(C(O)c2ccncc2)c1O MOL33165
-Oc1c(C(O)c2ccccn2)ccc2ccccc12 MOL33166
-COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(=O)NCCCl MOL33167
-COc1cc2c(c(OC)c1OC)C(=O)C(Br)C2NC(=O)NCCCl MOL33168
-COc1cc2c(c(OC)c1OC)C(=O)C1C2N1C(N)=O MOL33169
-COc1cc2c(c(OC)c1OC)C(=O)C(O)C2NC(N)=O MOL33170
-COc1cc2c(c(OC)c1OC)C(=O)C(O)C2NC(N)=O MOL33171
-Cc1ccc2nc(-c3ccc(C(C)(C)C)cc3)oc(=O)c2c1 MOL33172
-CC(C)(C)c1ccc(-c2nc3ccc([N+](=O)[O-])cc3c(=O)o2)cc1 MOL33173
-CC(C)(C)c1ccc(-c2nc3ccc(Cl)cc3c(=O)o2)cc1 MOL33174
-CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)o2)cc1 MOL33175
-COc1cccc2c(=O)oc(-c3ccc(C(C)(C)C)cc3)nc12 MOL33176
-CCN(CC)CC.O=C(O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F MOL33177
-CCN(CC)CC.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F MOL33178
-Nc1ccccc1.O=C(O)C(C(F)(F)F)C(F)(F)F MOL33179
-CCN(CC)CC.O=C(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F MOL33180
-CC(C)(C)N.OC(O)(C(F)(F)F)C(F)(F)F MOL33181
-Cc1cccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2C)c1 MOL33182
-Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2C)cc1 MOL33183
-CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1 MOL33184
-COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)C2=O)c1 MOL33185
-COc1ccc(NC(=O)CC(=O)N2N=C(c3ccccc3)C(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)C2=O)cc1 MOL33186
-CC(NNC(=O)c1ccncc1)c1ccc(F)cc1 MOL33187
-O=C(NNCC(F)(F)F)c1ccncc1 MOL33188
-Cl.Nc1c(O)c(C(=O)O)cc2ccccc12 MOL33189
-CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O MOL33190
-CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O MOL33191
-CC(NC(=O)CCS)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(N)=O MOL33192
-CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Co-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-] MOL33193
-CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Ni-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-] MOL33194
-CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Cu-5]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-] MOL33195
-CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Zn-4]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-] MOL33196
-CC(C)N(C(C)C)P1O[PH]2(N(C(C)C)C(C)C)OP(N(C(C)C)C(C)C)O[PH](N(C(C)C)C(C)C)(O1)[W]2(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL33197
-CSc1cc2[n+]3c(c1)-c1cccc[n+]1[Mn+]314([n+]3ccccc3-2)[n+]2ccccc2-c2cc(SC)cc([n+]21)-c1cccc[n+]14.[O-][Cl+3]([O-])([O-])[O-] MOL33198
-CSc1cc(-c2ccccn2)nc(-c2ccccn2)c1 MOL33199
-Cc1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3 MOL33200
-Fc1cccc(F)c1C1SCc2nc3ccccc3n21 MOL33201
-Fc1cccc(F)c1C1SCc2nc3ccccc3n21 MOL33202
-CCCCN(CCCC)[Cr](C#[O+])(C#[O+])(C#[O+])(C#[O+])C#[O+] MOL33203
-CCCC[PH](CCCC)(CCCC)[Fe-3](C#[O+])(C#[O+])(C#[O+])C#[O+] MOL33204
-C[PH](C)(C)[Fe-3](C#[O+])(C#[O+])(C#[O+])[PH](C)(C)C MOL33205
-C[PH]1(C)CC[PH](C)(C)[Fe-3]1(C#[O+])(C#[O+])C#[O+] MOL33206
-CC(c1ccccc1F)=[N+]1[N-]C(SCc2ccccc2)=[S+][Pd-2]12[S+]=C(SCc1ccccc1)[N-][N+]2=C(C)c1ccccc1F MOL33207
-CC(c1ccccc1F)=[N+]1[N-]C(N)=[S+][Pt-2]12[S+]=C(N)[N-][N+]2=C(C)c1ccccc1F MOL33208
-CN1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1.O=C(O)C=CC(=O)O MOL33209
-Nc1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2 MOL33210
-O=C(O)C=CC(=O)O.[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccccc3)cc2)CC1 MOL33211
-N#CC1(C#N)NC(c2ccccc2)C(C#N)(C#N)NC1c1ccccc1 MOL33212
-COC(=N)C1(C#N)NC(c2ccsc2)C(C#N)(C#N)NC1c1ccsc1 MOL33213
-N#Cc1nc(-c2cccs2)oc1N MOL33214
-COC(=O)c1cccc(OC)c1C#Cc1c(OC)cccc1OC MOL33215
-Nc1nc(N)c2cc(-c3ccccc3)cnc2n1 MOL33216
-O=C(CCC(=O)OCC1OC(O)(CC2OC(CO)C(O)C(O)C2O)C(O)C1O)OCc1ccccc1 MOL33217
-CC(=O)OCC1OC(c2nc3ccccc3s2)=CC(OC(C)=O)C1OC(C)=O MOL33218
-FC(F)(F)c1ccc2c(-c3cc[nH]c3)ccnc2c1 MOL33219
-CCCC(O)c1cn(C(NC(=O)c2ccccc2)P(=O)(OCC)OCC)nn1 MOL33220
-CCOP(=O)(OCC)C(NC(=O)OCC(Cl)(Cl)Cl)n1nnc(C(=O)OC)c1C(=O)OC MOL33221
-O=C(O)c1c(CC(Cc2ccccc2)C(=O)O)ccc2c1CCC2 MOL33222
-O=C(O)c1c(CC(Cc2ccc3c(c2)CCC3)C(=O)O)ccc2c1CCC2 MOL33223
-Cc1ccc(CC(Cc2ccccc2C)C(=O)O)c(C(=O)O)c1 MOL33224
-Cc1cccc(CC(Cc2ccc(C)cc2C(=O)O)C(=O)O)c1 MOL33225
-Cc1cccc(CC(Cc2c(C)cccc2C(=O)O)C(=O)O)c1 MOL33226
-COC(=O)c1cc(C)ccc1CC(Cc1ccccc1C)C(=O)OC MOL33227
-COC(=O)c1cc(C)ccc1CC(Cc1cccc(C)c1)C(=O)OC MOL33228
-COC(=O)c1ccccc1CC(Cc1ccccc1)C(=O)OC MOL33229
-O=C(O)c1cc2c(cc1CC(Cc1ccccc1)C(=O)O)CCC2 MOL33230
-Cc1ccc(CC(Cc2ccc(C)cc2C(=O)O)C(=O)O)cc1 MOL33231
-O=C(O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCC3)C(=O)O)CCC2 MOL33232
-O=C(O)c1ccccc1CC(Cc1ccccc1)C(=O)O.[KH] MOL33233
-COC(=O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCC3)C(=O)OC)CCC2 MOL33234
-O=C(O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCCC3)C(=O)O)CCCC2 MOL33235
-COC(=O)c1cc2c(cc1CC(Cc1ccc3c(c1)CCCC3)C(=O)OC)CCCC2 MOL33236
-O=C(O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 MOL33237
-COC(=O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)OC)ccc2c1CCCC2 MOL33238
-COC(=O)c1c(CC(Cc2ccc3c(c2)CCCC3)C(=O)O)ccc2c1CCCC2 MOL33239
-COC(=O)C(Cc1ccc2c(c1)CCCC2)Cc1cc2c(cc1C(O)OC)CCC2 MOL33240
-COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1)CCC3 MOL33241
-CC(=O)c1cccc2c1CC1(C2)Cc2ccc3c(c2C1=O)CCC3 MOL33242
-CC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 MOL33243
-O=C1c2ccccc2CC12Cc1ccccc1C2 MOL33244
-O=C1c2ccccc2CC12Cc1ccc3c(c1C2)CCC3 MOL33245
-OC1c2c(ccc3c2CCC3)CC12Cc1ccccc1C2 MOL33246
-CC(=O)c1ccc2c(c1)CC1(C2)Cc2ccccc2C1=O MOL33247
-CC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1=O)CCC3 MOL33248
-COC(=O)C1Cc2cc3c(cc2C1)CCC3 MOL33249
-ON=C1CCc2cc3c(cc21)CCC3 MOL33250
-O=C(O)c1c2c(cc3c1CC(Cc1ccccc1)C3=O)CCC2 MOL33251
-COC(=O)C1Cc2c(C)cccc2C1=O MOL33252
-O=C(CCCC1Cc2ccccc2C1=O)c1ccccc1 MOL33253
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1=O)CCC3 MOL33254
-COC(=O)C1(Cc2ccc(C)cc2)Cc2c(C)cccc2C1=O MOL33255
-COC(=O)C1(Cc2ccccc2C)Cc2ccc(C)cc2C1=O MOL33256
-COC(=O)C1(Cc2cccc(C)c2)Cc2c(C)cccc2C1=O MOL33257
-COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cc(C)ccc1C2=O MOL33258
-O=C1OC(C2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21 MOL33259
-Cc1ccc2c(c1)C(C1Cc3c(C)cccc3C1=O)OC2=O MOL33260
-Cc1cccc2c1CC(C1OC(=O)c3ccccc31)C2=O MOL33261
-Cc1ccc2c(c1)C(=O)C(C1OC(=O)c3ccccc31)C2 MOL33262
-COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)cc1C2=O MOL33263
-COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)ccc1C2=O MOL33264
-COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cccc1C2=O MOL33265
-COC(=O)c1ccc(C)cc1C1CN=NC12Cc1c(C)cccc1C2=O MOL33266
-COC(=O)c1ccccc1C1CN=NC12Cc1cccc(C)c1C2=O MOL33267
-Cc1cccc2c1C(=O)C(C1OC(=O)c3ccccc31)C2 MOL33268
-Cc1ccc2c(c1)C(C1Cc3cccc(C)c3C1=O)OC2=O MOL33269
-COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cccc(C)c1C2=O MOL33270
-COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc3c1CCC3)C2=O MOL33271
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1c(C)cccc1C2=O MOL33272
-Cc1cccc2c1CC(C1OC(=O)c3c(C)cccc31)C2=O MOL33273
-COC(=O)c1ccccc1C1CN=NC12Cc1ccccc1C2=O MOL33274
-O=C1OC(C2Cc3ccccc3C2=O)c2ccccc21 MOL33275
-Cc1ccc(C(=O)O)c(CC2Cc3c(C)cccc3C2=O)c1 MOL33276
-Cc1cccc2c1CC(Cc1ccccc1C(=O)O)C2=O MOL33277
-Cc1ccc2c(c1)C(=O)C(Cc1ccccc1C(=O)O)C2 MOL33278
-COC(=O)c1ccc(C)cc1CC1Cc2ccc(C)cc2C1=O MOL33279
-COC(=O)c1ccccc1CC1Cc2cccc(C)c2C1=O MOL33280
-COC(=O)c1ccc(C)cc1CC1Cc2cccc(C)c2C1=O MOL33281
-O=C(O)c1ccccc1CC1Cc2ccccc2C1=O MOL33282
-O=C(O)c1ccccc1CC1Cc2ccccc2C1 MOL33283
-COC(=O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3 MOL33284
-O=C(O)c1ccccc1CC1Cc2ccc3c(c2C1=O)CCC3 MOL33285
-COC(=O)C1(Cc2ccccc2)Cc2cc3c(cc2C1O)CCC3 MOL33286
-COC(=O)C1(Cc2ccccc2)Cc2ccc3c(c2C1=O)CCC3 MOL33287
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1O)CCC3 MOL33288
-COC(=O)C1(Cc2ccc3c(c2)CCC3)Cc2ccc3c(c2C1)CCC3 MOL33289
-COC(=O)C1(Cc2ccccc2)Cc2ccccc2C1O MOL33290
-OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1O)CCC3 MOL33291
-COC(=O)c1ccccc1C=C1Cc2cccc(C)c2C1=O MOL33292
-COC(=O)c1c(C)cccc1C=C1Cc2c(C)cccc2C1=O MOL33293
-COC(=O)c1ccccc1C=C1Cc2ccccc2C1=O MOL33294
-COC(=O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCC3 MOL33295
-OCc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1)CCC3 MOL33296
-OCc1ccc2c(c1)CC1(Cc3ccccc3C1)C2 MOL33297
-O=C(O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2 MOL33298
-COC(=O)c1c2c(cc3c1CC1(Cc4ccccc4C1)C3)CCC2 MOL33299
-COC(=O)c1c2c(cc3c1CC1(Cc4ccc(C(C)=O)cc4C1)C3)CCC2 MOL33300
-CC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(c(C(=O)O)c2C1)CCC3 MOL33301
-COC(=O)c1ccc2c(c1)CC1(C2)Cc2cc3c(c(C(=O)OC)c2C1)CCCC3 MOL33302
-COC(=O)c1c2c(cc3c1CC1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 MOL33303
-O=Cc1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3 MOL33304
-COC(=O)CCc1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3 MOL33305
-COC(=O)C1(Cc2ccccc2)Cc2c(C)ccc(C)c2C1=O MOL33306
-COC(=O)c1cc2c(c3c1CC(Cc1ccccc1)C3=O)CCC2 MOL33307
-ClC1=C(Cc2ccccc2)Cc2ccc3c(c21)CCC3 MOL33308
-COC(=O)c1ccc2c(c1)CC1(C2)Cc2ccc3c(c2C1)CCC3 MOL33309
-Cc1ccc2c(c1)C(=O)C1(C2)Cc2c(C)cccc2C1=O MOL33310
-Cc1ccc2c(c1)C(=O)C1(C2)Cc2cccc(C)c2C1=O MOL33311
-Cc1ccc2c(c1)CC1(Cc3c(C)cccc3C1=O)C2=O MOL33312
-Cc1ccc2c(c1)C(=O)C1(Cc3ccccc3C1=O)C2 MOL33313
-Cc1cccc2c1CC1(Cc3ccccc3C1=O)C2=O MOL33314
-Cc1ccc2c(c1)CC1(Cc3ccccc3C1=O)C2=O MOL33315
-Cc1cccc2c1C(=O)C1(Cc3ccccc3C1=O)C2 MOL33316
-Cc1ccc2c(c1)CC1(Cc3cccc(C)c3C1=O)C2=O MOL33317
-COC(=O)Cc1cccc2c1CCC2=O MOL33318
-CCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)C(C)C3=O MOL33319
-CCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O MOL33320
-NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(N)(=O)=O)cc4)c3c2)cc1 MOL33321
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(=O)(=O)NC(=N)N)cc4)c3c2)cc1 MOL33322
-Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6nccc(C)n6)cc5)c4c3)cc2)n1 MOL33323
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c4c3)cc2)n1 MOL33324
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)c4c3)cc2)no1 MOL33325
-Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)Nc6onc(C)c6C)cc5)c4c3)cc2)c1C MOL33326
-N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc23)cc1 MOL33327
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc34)cc2)no1 MOL33328
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(Nc4ccc(S(N)(=O)=O)cc4)c3c2)cc1 MOL33329
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cc34)cc2)n1 MOL33330
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cc34)cc2)no1 MOL33331
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)n1 MOL33332
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c4c3)cc2)n1 MOL33333
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)no1 MOL33334
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(=O)(=O)NC(=N)N)cc5)c4c3)cc2)no1 MOL33335
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc34)cc2)n1 MOL33336
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1 MOL33337
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)no1 MOL33338
-Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)c1C MOL33339
-Nc1c2ccccc2nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc12 MOL33340
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4c(N)c3c2)cc1 MOL33341
-Cn1c2ccccc2c(=NNc2ccc(S(N)(=O)=O)cc2)c2ccccc21 MOL33342
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NN=c3c4ccccc4n(C)c4ccccc34)cc2)n1 MOL33343
-Cn1c2ccccc2c(=NNc2ccc(C(=O)O)cc2)c2ccccc21 MOL33344
-Cn1c2ccccc2c(=NNc2ccccc2C(=O)O)c2ccccc21 MOL33345
-Cn1c2ccccc2c(=NNc2cccc(C(=O)O)c2)c2ccccc21 MOL33346
-Cn1c2ccccc2c(=NNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21 MOL33347
-NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1 MOL33348
-N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1 MOL33349
-NS(=O)(=O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL33350
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1 MOL33351
-N=C(N)NS(=O)(=O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL33352
-O=C(O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 MOL33353
-NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1 MOL33354
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1 MOL33355
-NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)cccc23)cc1 MOL33356
-N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)cccc23)cc1 MOL33357
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6ncccn6)cc5)cccc34)cc2)n1 MOL33358
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)n1 MOL33359
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(NNc4ccc(C(=O)O)cc4)c4ccccc4nc23)cc1 MOL33360
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)NC(=N)N)cc5)cccc34)cc2)n1 MOL33361
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(NNc5ccc(S(N)(=O)=O)cc5)c5ccccc5nc34)cc2)no1 MOL33362
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)Nc6cc(C)on6)cc5)cccc34)cc2)n1 MOL33363
-N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc23)cc1 MOL33364
-Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)NC(=N)N)cc5)c5ccccc5nc34)cc2)no1 MOL33365
-N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3c(C(=O)Nc4ccc(S(=O)(=O)NC(=N)N)cc4)cccc23)cc1 MOL33366
-N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c(NNc4ccc(S(N)(=O)=O)cc4)c4ccccc4nc23)cc1 MOL33367
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1 MOL33368
-Cc1cc(=O)n2nc(CCl)sc2n1 MOL33369
-Cc1nc2sc(CCl)nn2c(=O)c1Cl MOL33370
-Cc1cc(=O)n2nc(CN3CCCCC3)sc2n1 MOL33371
-Cc1cc(=O)n2nc(CSc3n[nH]c(=S)s3)sc2n1 MOL33372
-CSc1nnc(SCc2nn3c(=O)cc(C)nc3s2)s1 MOL33373
-Cc1cc(=O)n2nc(CSc3nnc(Sc4cc(O)ccc4O)s3)sc2n1 MOL33374
-Cc1cc(=O)n2nc(CSc3n[nH]c(=N)s3)sc2n1 MOL33375
-Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccccc3)nc2s1 MOL33376
-Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccc(F)cc3)nc2s1 MOL33377
-Cc1nn2c(=O)c([N+](=O)[O-])c(C=Cc3ccco3)nc2s1 MOL33378
-CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1 MOL33379
-CCOC(=O)C(C(=S)SC)c1nn2c(=O)cc(C)nc2s1 MOL33380
-CCOC(=O)C(=C(SC)SC)c1nn2c(=O)cc(C)nc2s1 MOL33381
-CCOC(=O)C(C(=S)Nc1ccccc1)c1nn2c(=O)cc(C)nc2s1 MOL33382
-N=C1C(=Cc2ccccc2)C(=O)N=C2SC=NN12 MOL33383
-N=C1C(=Cc2ccc(F)cc2)C(=O)N=C2SC=NN12 MOL33384
-N=C1C(=Cc2ccco2)C(=O)N=C2SC=NN12 MOL33385
-CC1=NN2C(=N)C(=Cc3ccccc3)C(=O)N=C2S1 MOL33386
-CC1=NN2C(=N)C(=Cc3ccc(F)cc3)C(=O)N=C2S1 MOL33387
-CC1=NN2C(=N)C(=Cc3ccco3)C(=O)N=C2S1 MOL33388
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL33389
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL33390
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL33391
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCc1cccc(CNC(=O)C(C#N)=Cc2ccc(O)c(O)c2)c1 MOL33392
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NC1CCCC(NC(=O)C(C#N)=Cc2ccc(O)c(O)c2)C1 MOL33393
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCN1CCN(C(=O)C(C#N)=Cc2ccc(O)c(O)c2)CC1 MOL33394
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCN1CCN(C(=O)C(C#N)=Cc2ccc(O)c(O)c2)CC1 MOL33395
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1COC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL33396
-N#CC(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1 MOL33397
-N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1 MOL33398
-N#CC(=Cc1cc(O)c(O)c(O)c1)C(=O)NCCCCCNC(=O)C(C#N)=Cc1cc(O)c(O)c(O)c1 MOL33399
-Oc1ccc(C=Cc2ccc(O)c(O)c2)cc1O MOL33400
-COc1ccc(NC(=O)C(C#N)=Cc2ccc(O)c(O)c2)cc1O MOL33401
-O=C(O)c1ccccc1SCc1cc(O)ccc1O MOL33402
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(C(=O)O)cc1 MOL33403
-N#CC(=Cc1ccc(O)c(O)c1)C(=O)NCCCCCCCCNC(=O)C(C#N)=Cc1ccc(O)c(O)c1 MOL33404
-O=c1ccc2cc(O)ccc2o1 MOL33405
-CCOC(=O)C1=C(O)C2C3CC4C2C(O)=C(C(=O)OCC)C2C1C3C42 MOL33406
-C1CN(C23OC4(N5CCOCC5)C5C6CC(C7C6C4C72)C53)CCO1 MOL33407
-CC(=O)N1CCN(C23OC4(N5CCN(C(C)=O)CC5)C5C6CC(C7C6C4C72)C53)CC1 MOL33408
-O=C1C2C3C(OCc4ccccc4)C4C5C(OCc6ccccc6)C(C1C35)C24 MOL33409
-CCOC12CCC3CC4CCC(OCC)(O1)C4C32 MOL33410
-CCC1([N+](=O)[O-])CN(N=O)C1 MOL33411
-CCC1(O[N+](=O)[O-])CN([N+](=O)[O-])C1 MOL33412
-O=[N+]([O-])CC12OC3(O)C4C5CC(C6C5C3C61)C42 MOL33413
-c1ccc(CNC23C4C5CC6C7C5C2C7C(NCc2ccccc2)(C64)N3Cc2ccccc2)cc1 MOL33414
-O=C1C=CC(=O)C2C3C=CC(C12)C1C3C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl MOL33415
-CC(=O)Oc1ccc(-c2nnc(-c3ccc(OC(C)=O)cc3)nn2)cc1 MOL33416
-COc1ccc(C=CC(=O)C=Cc2ccc(OC)cc2)cc1 MOL33417
-COc1ccc(C=CC(=O)C=Cc2ccc(OC)cc2OC)c(OC)c1 MOL33418
-c1ccc(C2=NCCN2)c(C2=NCCN2)c1 MOL33419
-N#CCC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21 MOL33420
-O=C1OC(c2ccccc2)(c2ccccc2)C(=O)OC1(c1ccccc1)c1ccccc1 MOL33421
-Cc1ccc(C2CC(=O)CC(c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1 MOL33422
-COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)c2ccccc2C3=O)cc1 MOL33423
-COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3OC)C23C(=O)c2ccccc2C3=O)c(OC)c1 MOL33424
-COc1cc(C2CC(=O)CC(c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC MOL33425
-OC1CC(c2ccccc2)C2(C(O)c3ccccc3C2O)C(c2ccccc2)C1 MOL33426
-OC1c2ccccc2C2C1C(c1ccccc1)C1(Cc3ccccc3C1O)C2c1ccccc1 MOL33427
-Oc1cc(NCC2CCCCC2)nc(O)n1 MOL33428
-CC(=O)Nc1cc(Nc2cc(O)nc(O)n2)ccc1C MOL33429
-Cc1cc(C)cc(Nc2cc(O)nc(O)n2)c1 MOL33430
-CC(=O)Nc1ccc(Nc2cc(O)nc(O)n2)cc1 MOL33431
-COc1ccc(Nc2cc(O)nc(O)n2)cc1 MOL33432
-CC(=O)Nc1ccc(CNc2cc(O)nc(O)n2)cc1 MOL33433
-Cc1ccc(N=Nc2cc(O)nc(O)n2)cc1C MOL33434
-Oc1cc(NNc2ccc3ccccc3c2)nc(S)n1 MOL33435
-Oc1cc(NNc2cccc(F)c2)nc(S)n1 MOL33436
-Cn1c(=O)cc(N=Nc2ccc(Cl)c(Cl)c2)[nH]c1=O MOL33437
-Oc1cc(NNc2ccccc2)nc(S)n1 MOL33438
-Oc1cc(N=Nc2ccc(Br)cc2)nc(S)n1 MOL33439
-Nc1nc(O)cc(NNc2cccc(F)c2)n1 MOL33440
-Nc1nc(O)cc(NNc2ccccc2F)n1 MOL33441
-Nc1nc(O)cc(NNc2ccc(Cl)c(Cl)c2)n1 MOL33442
-CN(C)Nc1cc(O)nc(O)n1 MOL33443
-CC(=O)Nc1ccc(NNc2cc(=O)n(C)c(=O)[nH]2)cc1 MOL33444
-CC(=O)Nc1ccc(CNc2cc(=O)n(C)c(=O)[nH]2)cc1 MOL33445
-Cn1c(=O)cc(NNc2ccc(Br)cc2)[nH]c1=O MOL33446
-Oc1cc(NNCc2ccccc2)nc(O)n1 MOL33447
-CC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1 MOL33448
-Cn1c(=O)cc(NNc2ccc(Cl)c(Cl)c2)[nH]c1=O MOL33449
-Cn1c(=O)cc(NCCc2ccccc2)[nH]c1=O MOL33450
-CCc1ccccc1NNc1cc(O)nc(O)n1 MOL33451
-Cn1c(=O)cc(NNc2ccccc2)[nH]c1=O MOL33452
-Cn1c(NNc2ccccc2)cc(=O)[nH]c1=O MOL33453
-CN(N)c1cc(O)nc(O)n1 MOL33454
-Oc1cc(NNc2cccc3ccccc23)nc(O)n1 MOL33455
-Oc1cc(NNc2ccccc2F)nc(O)n1 MOL33456
-Oc1cc(NNc2cccc(Cl)c2)nc(O)n1 MOL33457
-Oc1cc(NNc2cccc(F)c2)nc(O)n1 MOL33458
-Cc1ccc(NNc2cc(O)nc(O)n2)cc1Cl MOL33459
-CS(=O)(=O)c1ccc(NNc2cc(O)nc(O)n2)cc1 MOL33460
-CN(Nc1cc(O)nc(O)n1)c1ccccc1 MOL33461
-O=C(O)c1ccc(NNc2cc(O)nc(O)n2)cc1 MOL33462
-Oc1cc(NNc2ccccc2)nc(O)n1 MOL33463
-Oc1cc(NNc2ccc(F)cc2)nc(O)n1 MOL33464
-Oc1ccc(N=Nc2cc(O)nc(O)n2)cc1 MOL33465
-Nc1ccc(Nc2cc(O)nc(O)n2)cc1 MOL33466
-CC(=O)OCCn1cnc2nc(Nc3ccccc3)nc(Cl)c21 MOL33467
-COC(=O)Cn1cnc2c(Cl)nc(Nc3ccccc3)nc21 MOL33468
-CC(=O)OCCCCn1cnc2nc(Nc3ccccc3)nc(Cl)c21 MOL33469
-CC(=O)OCCCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21 MOL33470
-COCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21 MOL33471
-CCCCc1ccc(Nc2nc(O)c3ncn(C4CC(O)C(CN=[N+]=[N-])O4)c3n2)cc1 MOL33472
-CC1(C)CCCC2OC2CCC(C)(C)C1=O MOL33473
-CC1(C)CCCC2CC2CCC(C)(C)C1=O MOL33474
-CC1(C)CCCCCCC2OC2CCCCCC(C)(C)C1=O MOL33475
-CC1(C)CCCCCCCCCC2CC2CCC(C)(C)C1=O MOL33476
-CC1(C)CCCCCCC2CC2CCCCCC(C)(C)C1=O MOL33477
-CC1(C)CCCCCC(O)C(O)CCC(C)(C)C1=O MOL33478
-CC1(C)CC=CCCC(O)C(O)CCC(C)(C)C1=O MOL33479
-CC1(C)CCCCCCCCCC(C)(CCCO)C1=O MOL33480
-CC1(C)CCCCCCCCCC(C)(CCCCCCCCCCCCO)C1=O MOL33481
-CC1(C)CCCCCC(C)(CCCO)C1=O MOL33482
-CC1(C)CCCCCC(C)(CCCCCCCCCCCO)C1=O MOL33483
-CC1(CCCO)CCCCCCCCCC(C)(CCCO)C1=O MOL33484
-CC1(CCCO)CCCCCC(C)(CCCO)C1=O MOL33485
-O=c1c(SSc2coc3cc(F)ccc3c2=O)coc2cc(F)ccc12 MOL33486
-CC(C)(C)c1cc(S(=O)(=O)O)c2oc(-c3ccccc3)cc(=O)c2c1 MOL33487
-O=C(O)Cc1cccc2c1OC(c1ccccc1)C(Cl)(C(=O)c1ccccc1)C2=O MOL33488
-O=C(O)Cc1cccc2c1OC(c1ccccc1)C(C(=O)c1ccccc1)C2=O MOL33489
-NNC(=O)CC(=O)Nc1ccccc1Cl MOL33490
-NNC(=O)CC(=O)Nc1cccc(Cl)c1 MOL33491
-NNC(=O)CC(=O)Nc1ccc(Cl)cc1 MOL33492
-COc1ccccc1NC(=O)CC(=O)NN MOL33493
-COc1cccc(NC(=O)CC(=O)NN)c1 MOL33494
-COc1ccc(NC(=O)CC(=O)NN)cc1 MOL33495
-NNC(=O)CC(=O)Nc1ccc(C(=O)O)cc1 MOL33496
-COc1cccc(NC(=O)CC(=O)Nc2cccc(OC)c2)c1 MOL33497
-COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2)cc1 MOL33498
-O=C(CC(=O)Nc1cccc(C(=O)O)c1)Nc1cccc(C(=O)O)c1 MOL33499
-O=C(CC(=O)Nc1ccc(C(=O)O)cc1)Nc1ccc(C(=O)O)cc1 MOL33500
-CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 MOL33501
-CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccccc4Cl)N=C3C)cc2)cc1 MOL33502
-CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4cccc(Cl)c4)N=C3C)cc2)cc1 MOL33503
-CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccc(Cl)cc4)N=C3C)cc2)cc1 MOL33504
-CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccccc4C)N=C3C)cc2)cc1 MOL33505
-CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4cccc(C)c4)N=C3C)cc2)cc1 MOL33506
-CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)c2ccc(N=NC3C(=O)N(C(=O)CC(=O)Nc4ccc(C)cc4)N=C3C)cc2)cc1 MOL33507
-COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(S(=O)(=O)c4ccc(N=NC5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1 MOL33508
-COc1ccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(S(=O)(=O)c4ccc(N=NC5C(=O)N(C(=O)CC(=O)Nc6ccc(OC)cc6)N=C5C)cc4)cc3)C2=O)cc1 MOL33509
-COC(N)=C(C#N)N=Cc1ccccc1 MOL33510
-CN(C)CCCCN1c2ccccc2Sc2cc(N=[N+]=[N-])ccc21.O=C(O)C(=O)O MOL33511
-CN(C)CCCCN1c2ccccc2Sc2ccc(N=[N+]=[N-])cc21.O=C(O)C(=O)O MOL33512
-CN(C)CCCCN1c2ccccc2Sc2ccc(C(=O)c3ccccc3)cc21.O=C(O)C(=O)O MOL33513
-CN1CCN(CCCCN2c3ccccc3Sc3ccc(C(=O)c4ccccc4)cc32)CC1.O=C(O)C(=O)O MOL33514
-O=[N+]([O-])c1c(F)c(F)c2c(c1F)N(CCCCCl)c1ccccc1S2 MOL33515
-COC(=O)C(CCSC)NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1 MOL33516
-CN1CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1 MOL33517
-C[N+]1(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1.[I-] MOL33518
-CC(COC(=S)OCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] MOL33519
-O=C(NCC(F)([N+](=O)[O-])[N+](=O)[O-])N(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-] MOL33520
-O=[N+]([O-])C1([N+](=O)[O-])COCOC1 MOL33521
-N#Cc1nc(C#N)c(N)[nH]1 MOL33522
-CC(=O)Nc1[nH]c(C#N)nc1C#N MOL33523
-N#Cc1nc(C#N)n(C(=O)c2ccccc2)c1NC(=O)c1ccccc1 MOL33524
-N#Cc1nc(C#N)n(S(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1 MOL33525
-CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=NC(C(=O)N5CCCC5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(C)C)NC(=O)CNC(=O)c2csc(n2)C(C(C)C)NC(=O)c2nc1sc2C MOL33526
-NS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(N)(=O)=O)cc3)c3ccc([nH]3)c(-c3ccc(S(N)(=O)=O)cc3)c3ccc(n3)c(-c3ccc(S(N)(=O)=O)cc3)c3ccc2[nH]3)cc1 MOL33527
-COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)cc3)c3ccc2[nH]3)cc1 MOL33528
-CCCCNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCCCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCC)cc3)c3ccc2[nH]3)cc1 MOL33529
-CCCCCCCCCCCCNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCC)cc3)c3ccc2[nH]3)cc1 MOL33530
-CC(C)(C)SSC(C)(C)C MOL33531
-NC(=O)SCC(=O)NNc1ccccc1 MOL33532
-O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1 MOL33533
-[O-][n+]1ccccc1SSc1cccc[n+]1[O-] MOL33534
-c1ccc(SSc2ccccn2)nc1 MOL33535
-CC(C)CCSSCCC(C)C MOL33536
-Clc1cc(Cl)c(SSc2cc(Cl)c(Cl)cc2Cl)cc1Cl MOL33537
-O=[N+]([O-])c1ccc(Cl)c(SSc2cc([N+](=O)[O-])ccc2Cl)c1 MOL33538
-O=[N+]([O-])c1cc(SSc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl MOL33539
-Brc1ccc(SSc2ccc(Br)cc2)cc1 MOL33540
-Clc1ccc(SSc2ccc(Cl)cc2)cc1 MOL33541
-Ic1ccccc1SSc1ccccc1I MOL33542
-O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1 MOL33543
-Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1N MOL33544
-O=S(=O)(O)c1ccc(SSc2ccc(S(=O)(=O)O)cc2)cc1.[KH] MOL33545
-O=C(CCSSc1ccccn1)ON1C(=O)CCC1=O MOL33546
-Nc1ccccc1SSc1ccccc1N MOL33547
-Nc1ccc(SSc2ccc(N)cc2)cc1 MOL33548
-CCCCOC(=O)CSSCC(=O)OCCCC MOL33549
-CCCC(C)(C)SSC(C)(C)CCC MOL33550
-CCCCCCSSCCCCCC MOL33551
-Cc1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 MOL33552
-Cc1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1 MOL33553
-O=[N+]([O-])c1cc(C(F)(F)F)ccc1SSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] MOL33554
-N#Cc1ccccc1SSc1ccccc1C#N MOL33555
-c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 MOL33556
-O=C(SSC(=O)c1ccccc1)c1ccccc1 MOL33557
-Cc1ccc(SSc2ccc(C)c(Cl)c2)cc1Cl MOL33558
-Cc1ccc(SSc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL33559
-CS(=O)(=O)c1ccc(SSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL33560
-Cc1ccc(S(=O)S(=O)c2ccc(C)cc2)cc1 MOL33561
-c1ccc(CSSCc2ccccc2)cc1 MOL33562
-Cc1ccc(SSc2ccc(C)cc2)cc1 MOL33563
-CCOC(=O)C(CSSCC(NC(C)=O)C(=O)OCC)NC(C)=O MOL33564
-CC(C)(C#N)C(C)(C)SSC(C)(C)C(C)(C)C#N MOL33565
-CC(C)(C)C(C)(C)SSC(C)(C)C(C)(C)C MOL33566
-CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N MOL33567
-O=C(CSSCC(=O)c1ccccc1)c1ccccc1 MOL33568
-COc1cccc(SSc2cccc(OC)c2OC)c1OC MOL33569
-c1ccc2nc(SSc3ccc4ccccc4n3)ccc2c1 MOL33570
-O=C(O)C(CSSCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL33571
-O=c1nc(SSc2ccn(C3OC(CO)C(O)C3O)c(=O)n2)ccn1C1OC(CO)C(O)C1O MOL33572
-CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC MOL33573
-c1ccc2cc(SSc3ccc4ccccc4c3)ccc2c1 MOL33574
-O=C(O)C=CC(=O)Nc1ccc(SSc2ccc(NC(=O)C=CC(=O)O)cc2)cc1 MOL33575
-Nc1c(SSc2ccc3ccccc3c2N)ccc2ccccc12 MOL33576
-Cc1cc(SSc2cc(C)c3ccccc3n2)nc2ccccc12 MOL33577
-Cc1ccc(S(=O)(=O)O)cc1.NC(CSSCC(N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL33578
-O=C(O)C(CSSCC(C(=O)O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O MOL33579
-O=C(NC(CSSCC(NC(=O)OCc1ccccc1)C(=O)O)C(=O)O)OCc1ccccc1 MOL33580
-Cc1ccc(S(=O)(=O)NC(=O)NCCCSSCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 MOL33581
-CCCCCCCCCCCSSCCCCCCCCCCC MOL33582
-c1ccc(-c2ccccc2SSc2ccccc2-c2ccccc2)cc1 MOL33583
-O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(Cl)ccc1SSc1ccc(Cl)cc1NC(=O)Nc1ccc(F)c(Cl)c1 MOL33584
-O=C(c1ccccc1)c1ccc(SSc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 MOL33585
-Cl.NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 MOL33586
-C(=Nc1ccc(SSc2ccc(N=Cc3ccc4c(c3)OCO4)cc2)cc1)c1ccc2c(c1)OCO2 MOL33587
-Cc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C)cc4)cc3)cc2)cc1 MOL33588
-CC(C)(C)CC(C)(C)c1ccc(O)c(SSc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1 MOL33589
-C(=Cc1ccccc1)C=Nc1ccc(SSc2ccc(N=CC=Cc3ccccc3)cc2)cc1 MOL33590
-CC(=O)Nc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(NC(C)=O)cc4)cc3)cc2)cc1 MOL33591
-CN(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(N(C)C)cc4)cc3)cc2)cc1 MOL33592
-CC(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(C(C)C)cc4)cc3)cc2)cc1 MOL33593
-Oc1ccc2ccccc2c1C=Nc1ccc(SSc2ccc(N=Cc3c(O)ccc4ccccc34)cc2)cc1 MOL33594
-N#CC(N=O)C(N)=O MOL33595
-O=Nc1c(O)nc(S)nc1O MOL33596
-Nc1nc(O)nc(O)c1N=O MOL33597
-Nc1nc(S)nc(N)c1N=O MOL33598
-Nc1nc(N)c(N=O)c(O)n1 MOL33599
-Nc1nc(O)nc(N)c1N=O MOL33600
-CC(C)(C)[N+]([O-])=[N+]([O-])C(C)(C)C MOL33601
-Cc1n[nH]c(C)c1N=O MOL33602
-O=Nc1ccc(O)c(Cl)c1 MOL33603
-Cn1c(N)c(N=O)c(=O)n(C)c1=O MOL33604
-CCn1c(N)c(N=O)c(=O)[nH]c1=O MOL33605
-Cc1cc(N=O)cc(Cl)c1O MOL33606
-COc1cccc([N+](=O)[O-])c1N=O MOL33607
-Cc1ccccc1N=O MOL33608
-Cc1cc(O)ccc1N=O MOL33609
-CNc1ccc(N=O)cc1 MOL33610
-CCn1c(N)c(N=O)c(=O)n(C)c1=O MOL33611
-Cc1cc(N=O)cc(C)c1O MOL33612
-CCn1c(N)c(N=O)c(=O)n(CC)c1=O MOL33613
-CCn1c(=O)c(N=O)c(N)n(CCO)c1=O MOL33614
-C=CCn1c(N)c(N=O)c(=O)n(CC)c1=O MOL33615
-CCn1c(=O)c(N=O)c(N)n(C2CC2)c1=O MOL33616
-CC(C)Cn1c(N)c(N=O)c(=O)n(C)c1=O MOL33617
-CCn1c(=O)c(N=O)c(N)n(CC(C)O)c1=O MOL33618
-CCn1c(=O)c(N=O)c(N)n(CCCO)c1=O MOL33619
-O=Nc1c(O)c(N=O)c2ccccc2c1O MOL33620
-O=Nc1c(O)ccc2ccccc12 MOL33621
-O=Nc1cc(S(=O)(=O)O)c2ccccc2c1O MOL33622
-O=Nc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.[NaH] MOL33623
-O=S(=O)([O-])c1cc(O)c2c3c(c(S(=O)(=O)[O-])cc2c1)=N[OH+][Cu-3]1([O+]=3)[O+]=c2c(c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c23)=N[OH+]1 MOL33624
-CCN(CC)c1ccc(N=O)c(O)c1 MOL33625
-C=C(C)Cn1c(N)c(N=O)c(=O)n(CC)c1=O MOL33626
-CCn1c(=O)c(N=O)c(N)n(CC(C)C)c1=O MOL33627
-CCCCn1c(=O)c(N=O)c(N)n(CC)c1=O MOL33628
-CCn1c(=O)c(N=O)c(N)n(CCCOC)c1=O MOL33629
-O=Nn1ccccc1=Nc1ccccc1 MOL33630
-Cc1cc(N(CCCl)CCCl)ccc1N=O MOL33631
-CC(C)(C)c1n[nH]c(C(C)(C)C)c1N=O MOL33632
-O=NC1(c2ccccc2)CCCCC1[N+](=O)[O-] MOL33633
-CCCCn1c(N)c(N=O)c(=O)n(CCCC)c1=O MOL33634
-O=Nc1c(Br)cc(Br)c2ccc3c(Br)cc(Br)c(N=O)c3c12 MOL33635
-CC(C)(C)c1cc(N=O)cc(C(C)(C)C)c1O MOL33636
-O=Nc1ccc2ccccc2c1N=Nc1ccccc1C(=O)O.[NaH] MOL33637
-CC(C)(C)c1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1 MOL33638
-Cl.N=C(N)SSC(=N)N MOL33639
-O=C(O)CCSSCCC(=O)O MOL33640
-CSSc1ccccc1 MOL33641
-CC(C)(C)SSCC(N)C(=O)O MOL33642
-CSSCc1ccccc1 MOL33643
-Clc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1 MOL33644
-Oc1ccccc1C=Nc1ccccc1SSc1ccccc1N=Cc1ccccc1O MOL33645
-Oc1ccccc1C=Nc1ccc(SSc2ccc(N=Cc3ccccc3O)cc2)cc1 MOL33646
-C(=Nc1ccc(SSc2ccc(N=Cc3ccccc3)cc2)cc1)c1ccccc1 MOL33647
-NC(CSSCC(N)C(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1 MOL33648
-N.Nc1nc(S)nc(O)c1N=O MOL33649
-Nc1nc(N)c(N=O)c(N)n1 MOL33650
-Cc1cc(N=O)ccc1O MOL33651
-C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL33652
-COc1cc(C2Oc3c(OC)cc(C=CC(N)=O)cc3C2C(N)=O)ccc1O MOL33653
-COC(=O)C=Cc1cc(OC)c2c(c1)C(C(=O)OC)C(c1ccc(O)c(OC)c1)O2 MOL33654
-COc1cc(C2Oc3c(OC)cc(C=CC(=O)O)cc3C2C(=O)O)ccc1O MOL33655
-COc1cc(C2c3cc(O)c(OC)cc3C=C(C(N)=O)C2C(N)=O)ccc1O MOL33656
-COC(=O)C1=Cc2cc(OC)c(O)cc2C(c2ccc(O)c(OC)c2)C1C(=O)OC MOL33657
-O=C(O)Cc1cccc2c(=O)c3ccccc3oc12.[NaH] MOL33658
-Cc1cccc2c(=O)c3cccc(CC(=O)O)c3oc12.[NaH] MOL33659
-Cc1cccc2oc3c(CC(=O)O)cccc3c(=O)c12.[NaH] MOL33660
-Cc1c(Cl)ccc2c(=O)c3cccc(CC(=O)O)c3oc12.[NaH] MOL33661
-Cc1cccc2c(=O)c3cccc(C(C)C(=O)O)c3oc12.[NaH] MOL33662
-Cc1cccc2c(=O)c3cccc(C(C)C(=O)O)c3oc12.[NaH] MOL33663
-Cc1ccc2c(=O)c3cccc(CC(=O)O)c3[nH]c2c1C.[NaH] MOL33664
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL33665
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL33666
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL33667
-O=c1cc(-c2ccccc2)oc2ccc(Oc3nnnn3-c3ccccc3)cc12 MOL33668
-O=c1cc(-c2ccccc2)oc2cc(Oc3nnnn3-c3ccccc3)ccc12 MOL33669
-CCOC(=O)Cc1nc2c(N)ncnc2n1C1OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33670
-NC(=O)Cc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1O MOL33671
-CCNC(=O)Cc1nc2c(N)ncnc2n1C1OC(CO)C(O)C1O MOL33672
-Cn1c(=O)c2c(ncn2CCNC(CO)C(O)c2ccc([N+](=O)[O-])cc2)n(C)c1=O MOL33673
-Cn1cnc2c1c(=O)n(CCNCCO)c(=O)n2C MOL33674
-CC(=O)CCCCn1c(=O)c2c(nc(Br)n2C)n(C)c1=O MOL33675
-C=CCOC1=C(OC(C)=O)C(C2COC(C)(C)O2)OC1=O MOL33676
-C=CCC1(OCc2ccccc2)C(=O)C(=O)OC1C1COC(C)(C)O1 MOL33677
-CC1(C)OCC(C2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)O1 MOL33678
-C=CCOC1=C(OCC=C)C(C2COC(C)(C)O2)OC1=O MOL33679
-C=CC(c1ccccc1)C1(OC(C)=O)C(=O)C(=O)OC1C1COC(C)(C)O1 MOL33680
-C=CCC1(OC(C)=O)C(=O)C(=O)OC1C1COC(C)(C)O1 MOL33681
-COc1ncc(C=C2OC(=O)c3ccccc32)c(OC)n1 MOL33682
-Nc1onc2c1Cc1c(noc1N)-c1ccccc1-2 MOL33683
-Cn1nc2c(c1N)Cc1c(nn(C)c1N)-c1ccccc1-2 MOL33684
-Cc1ccc(S(=O)(=O)NN=CC(=Cc2ccc(Cl)cc2)CC(C=NNS(=O)(=O)c2ccc(C)cc2)=Cc2ccc(Cl)cc2)cc1 MOL33685
-COC(=O)C1SCC2C(=O)N(c3ccccc3)C(=O)N21 MOL33686
-CN1CCC2(CC1)SCC1C(=O)N(c3ccc(Cl)cc3)C(=O)N12 MOL33687
-NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1NC=O MOL33688
-NC(=O)c1c(NC=O)ncn1C1OCC(O)C(O)C1O MOL33689
-COc1oc(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 MOL33690
-COc1cc(CNNC(N)=S)cc(OC)c1OC MOL33691
-CCOc1c(OC)cc(CNNc2nccs2)cc1OC MOL33692
-CCOP(=O)(O)C(Nc1ccc(N=Nc2ccccc2)cc1)c1ccc(C(Nc2ccc(N=Nc3ccccc3)cc2)P(=O)(O)OCC)cc1.[NaH] MOL33693
-CCOP(=O)(O)C(Nc1ccc(N=Nc2ccccc2)cc1)c1cccc(C(Nc2ccc(N=Nc3ccccc3)cc2)P(=O)(O)OCC)c1.[NaH] MOL33694
-COc1ccc(OC)c(-c2cn3c(n2)sc2ccccc23)c1 MOL33695
-CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCCCC1 MOL33696
-CCOC(=O)C1CC(C(=O)c2ccccc2)N2c3ccccc3-c3ccccc3C12 MOL33697
-COc1cc(-c2cc(=O)c3cc4c(=O)cc(-c5cc(OC)c(OC)c(OC)c5)oc4cc3o2)cc(OC)c1OC MOL33698
-CC(=O)N1C2=CCCC2(C)c2ccccc21 MOL33699
-CN(C)CCCC12CCCCC1=Nc1ccccc12 MOL33700
-Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 MOL33701
-CC(C)C1C(=O)N(c2c(F)c(F)c(F)c(F)c2F)C(=S)N1CCS(=O)c1ccccc1 MOL33702
-COc1cc(C)cc2c(-c3c(OC(C)=O)cc(OC(C)=O)c4c3CC(C)N(C(C)=O)C4C)cc(-c3cc(-c4c(OC(C)=O)cc(OC(C)=O)c5c4CC(C)N(C(C)=O)C5C)c4cc(C)cc(OC)c4c3O)c(O)c12 MOL33703
-O=C1CC(C(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccccc2)OCc2ccccc2)CC(=O)N1 MOL33704
-O=C1CC(CC(O)C(O)C(O)CO)CC(=O)N1 MOL33705
-O=C1CC(CC(O)C(O)CO)CC(=O)N1 MOL33706
-O=C1CC(C(COCc2ccccc2)OCc2ccccc2)CC(=O)N1 MOL33707
-O=C1CC(C(O)CO)CC(=O)N1 MOL33708
-O=C1CC(CC(=O)C2CCCCC2=O)CC(=O)N1 MOL33709
-CC1CC(C)C(=O)C(C(=O)CC2CC(=O)NC(=O)C2)C1 MOL33710
-CC1CCC(=O)C(C(=O)CC2CC(=O)NC2=O)C1 MOL33711
-CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 MOL33712
-CC(C)(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 MOL33713
-Cc1c(C)n(-c2ccccc2)c2nc(S(C)=O)nc(S(C)=O)c12 MOL33714
-C=C(CC1CCCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 MOL33715
-CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3O MOL33716
-CCCc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3O MOL33717
-CC1(O)OC(=O)C2=C1CCC1C2CCC2(C)C(O)CCC12 MOL33718
-CC(=O)OCC1C(C(C)OC(C)=O)CCC2C1CCC1(C)C(OC(C)=O)CCC21 MOL33719
-CS(=O)(=O)CCC1CCC(=O)O1 MOL33720
-CCOC(=O)C1CCC(=O)N1C(=O)c1ccccc1 MOL33721
-O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1 MOL33722
-CC(=O)OC1CCC2C3CCC4=C(C(=O)C=CC4(C)OC(C)=O)C3CCC12C MOL33723
-CC(=O)Oc1cc(Cl)c(C)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2 MOL33724
-CC(=O)Oc1ccc(C)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2 MOL33725
-CC(=O)Oc1cc(OC(C)=O)c2c(c1C)CCC1C2CCC2(C)C(OC(C)=O)CCC12 MOL33726
-CC(=O)Oc1cc(C)c(OC(C)=O)c2c1C1CCC3(C)C(OC(C)=O)CCC3C1CC2 MOL33727
-O=C1CCCCC1C(O)CC1CC(=O)N(c2ccccc2)C(=O)C1 MOL33728
-O=C1CC(CC(O)C2CCCCC2O)CC(=O)N1c1ccccc1 MOL33729
-CC(C)(C)C1CCC(O)C(C(O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 MOL33730
-CC1CCC(=O)C(C(=O)CC2CC(=O)N(C)C(=O)C2)C1 MOL33731
-CCC1CCC2C(CCC3(C)C(OC(C)=O)CCC23)C1C(=O)OC MOL33732
-COC(=O)C1C(C(C)=O)CCC2C1CCC1(C)C(OC(C)=O)CCC21 MOL33733
-COC(=O)C1C2CCC3(C)C(OC(C)=O)CCC3C2CCC1C1(C)SCCS1 MOL33734
-CC1=NNC(=O)C2C1CCC1C2CCC2(C)C(O)CCC12 MOL33735
-COC1CC2C3CCC(C(C)CO)C3(C)CCC2C2(C)CCC3CC312 MOL33736
-COC1CC2C3CCC(C(C)CO)C3(C)CCC2C2(C)CCC3CC312 MOL33737
-COC1CC2C3CCC(C(C)COC(C)=O)C3(C)CCC2C2(C)CCC3CC312 MOL33738
-CCC1CCC2C(CCC3(C)C(O[N+](=O)[O-])CCC23)C1C(C)=O MOL33739
-Nn1c(-c2ccccc2)nn(C(=O)c2ccccc2)c1=O MOL33740
-Cc1ccc(C=Nn2c(Cc3ccccc3)n[nH]c2=O)cc1 MOL33741
-Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccccc2)cc1 MOL33742
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1cccnc1 MOL33743
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1cccnc1 MOL33744
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccncc1 MOL33745
-O=c1[nH]nc(-c2ccccc2)n1-c1ccncc1 MOL33746
-CCc1n[nH]c(=O)n1-c1ccncc1 MOL33747
-Cc1n[nH]c(=O)n1-c1cccnc1 MOL33748
-Cc1n[nH]c(=O)n1C1CCCC1 MOL33749
-CN(C)Cc1cc(C(=O)C=Cc2ccccc2)cc(CN(C)C)c1O.Cl MOL33750
-CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)cc2)cc(CN(C)C)c1O.Cl MOL33751
-COc1ccc(C=CC(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1.Cl MOL33752
-CN(C)Cc1cc(C(=O)C=Cc2ccccc2Cl)cc(CN(C)C)c1O.Cl MOL33753
-Cc1ccc(C=CC(=O)c2cc(CN(C)C)c(O)c(CN(C)C)c2)cc1.Cl MOL33754
-CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl MOL33755
-CN(C)Cc1cc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc(CN(C)C)c1O.Cl MOL33756
-CN(C)Cc1cc(C(=O)C=Cc2c(Cl)cccc2Cl)cc(CN(C)C)c1O.Cl MOL33757
-CN(C)Cc1cc(C(=O)C=Cc2ccc(Br)cc2)cc(CN(C)C)c1O.Cl MOL33758
-CN(C)Cc1cc(C(=O)C=Cc2ccc(F)cc2)cc(CN(C)C)c1O.Cl MOL33759
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccc(C)cc1C2=O MOL33760
-COC(=O)c1cc(C)ccc1C1CN=NC12Cc1cccc(C)c1C2=O MOL33761
-COC(=O)c1ccc(C)cc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O MOL33762
-COC(=O)c1cccc(C)c1C1CN=NC12Cc1c(ccc(C)c1C)C2=O MOL33763
-COC(=O)c1cccc(C)c1C1CN=NC12Cc1cc(C)cc(C)c1C2=O MOL33764
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccc(C)c(C)c1C2=O MOL33765
-COC(=O)c1ccccc1C1CN=NC12Cc1c(ccc(C)c1C)C2=O MOL33766
-COC(=O)c1ccccc1C1CN=NC12Cc1c(C)cc(C)cc1C2=O MOL33767
-COC(=O)c1ccccc1C1CN=NC12Cc1cc3c(cc1C2=O)CCC3 MOL33768
-COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)cc(C)c1C2=O MOL33769
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O MOL33770
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1cc(C)cc(C)c1C2=O MOL33771
-COC(=O)c1cc(C)ccc1C1CN=NC12Cc1c(C)cc(C)cc1C2=O MOL33772
-COC(=O)c1ccccc1C1CN=NC12Cc1ccc(C)c(C)c1C2=O MOL33773
-COC(=O)c1cc(C)ccc1C1CN=NC12Cc1ccc(C)cc1C2=O MOL33774
-COC(=O)c1ccccc1C1CN=NC12Cc1cc(C)c(C)cc1C2=O MOL33775
-COC(=O)c1ccccc1C1CN=NC12Cc1ccc3c(c1C2=O)CCC3 MOL33776
-COC(=O)c1ccccc1C1CN=NC12Cc1c(C)ccc(C)c1C2=O MOL33777
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1ccccc1C2=O MOL33778
-COC(=O)c1c(C)cccc1CC1Cc2c(C)cccc2C1=O MOL33779
-Cc1ccc(C)c2c1CC(Cc1ccccc1C(=O)O)C2=O MOL33780
-COC(=O)c1ccccc1CC1Cc2c(C)ccc(C)c2C1=O MOL33781
-CSC(=O)C=C1SSC(=CC(=O)SC)S1 MOL33782
-CNC1(C(=O)O)CC1 MOL33783
-CN(C)C1(C(=O)O)CC1.Cl MOL33784
-C[N+](C)(C)C1(C(=O)[O-])CC1 MOL33785
-OC(=[OH+])C1([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)CC1 MOL33786
-CCOC(=O)C1(N)CC1.Cl MOL33787
-CCN1C(c2ccccc2)=CC(c2ccccc2)(C(Cl)(Cl)Cl)C=C1c1ccccc1 MOL33788
-C=C(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 MOL33789
-BrC1(c2ccccc2)C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc21.[Br-] MOL33790
-CCOC1=C(c2ccccc2)N2CCCCC2O1 MOL33791
-C=C(C(=O)O)C1CCC2(C)CC(O)CC(=C)C2C1 MOL33792
-C=C(C(=O)O)C1CCC2(C)CCCC(C)(O)C2C1 MOL33793
-O=C(O)c1cccc(C=Cc2ccc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)cc2C(=O)O)c1.[NaH] MOL33794
-O=C(O)c1cccc(C=Cc2ccc(N=Nc3c(O)cc(O)cc3C(=O)O)cc2C(=O)O)c1.[NaH] MOL33795
-COc1cccc(C(=O)NC2C(O)C(CO)OC2n2cnc3c(N)ncnc32)c1 MOL33796
-c1ccc2c3ccn4ccc5c6ccccc6[nH]c5c4c-3nc2c1 MOL33797
-CCOP(=O)(OCC)C1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O MOL33798
-CCOP(=O)(O)C1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O MOL33799
-CCOP(=O)(OCC)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL33800
-O=C(O)c1ccc(C2SCc3nc4ccccc4n32)cc1 MOL33801
-CCOC(=O)Cc1nc2c(O)ncnc2n1C1OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33802
-NC(=O)Cc1nc2c(O)ncnc2n1C1OC(CO)C(O)C1O MOL33803
-CCNC(=O)Cc1nc2c(O)ncnc2n1C1OC(CO)C(O)C1O MOL33804
-OCCN(CCO)CCn1cnc2c(NCc3ccccc3)ncnc21 MOL33805
-CCN(CC)c1ncnc2c1ncn2CCNC(CO)(CO)CO MOL33806
-O=c1c(F)cn(Cc2c(Cl)cccc2Cl)c(=O)n1Cc1c(Cl)cccc1Cl MOL33807
-C=C1C(=O)OC2C1CC1OC2C(C)CCCC(C)C2CCC1(C)O2 MOL33808
-C=C1C(=O)OC2C1CC1OC2C(C)CCCC2(C)OC2CCC1(C)O MOL33809
-c1cc2c(s1)-c1sccc1C21OCCO1 MOL33810
-COC1SCC(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33811
-COc1nc(=O)n(C2CC(F)C(CO)O2)cc1C MOL33812
-Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3C2)cc1 MOL33813
-CCOc1cccc(C=Nc2ccccc2SSc2ccccc2N=Cc2cccc(OCC)c2O)c1O MOL33814
-Clc1ccc(C2=CCN3CC=C(c4ccc(Cl)cc4)C23)cc1.O=C(O)C=CC(=O)O MOL33815
-CN1C(=O)C2CCC(=O)N2c2cccnc21 MOL33816
-CN1C(=O)C2CCCC(=O)N2c2cccnc21 MOL33817
-CN1C(=O)CC2CCC(=O)N2c2cccnc21 MOL33818
-O=C(COc1cc(=O)oc2ccccc12)c1ccccc1 MOL33819
-CCN(CC)C(Sc1ccccc1)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-] MOL33820
-O=[N+]([O-])C(Cl)=CC(=C(Cl)SCc1ccccc1)[N+](=O)[O-] MOL33821
-O=[N+]([O-])C(=C(Cl)SCc1ccccc1)C(Cl)=C(Cl)Br MOL33822
-O=[N+]([O-])C(=C1NCCN1)C(Cl)=C(Cl)Br MOL33823
-O=[N+]([O-])C(=C(Cl)NCCO)C(Cl)=C(Cl)Br MOL33824
-O=[N+]([O-])C(=C(Br)SCc1ccccc1)C(Cl)=C(Cl)Cl MOL33825
-Cc1cc(C)n(C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])n2nc(C)cc2C)n1 MOL33826
-Cc1ccc(NC(Sc2ccccc2)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1 MOL33827
-O=[N+]([O-])C(=C(Cl)Cl)C(Cl)=C(Cl)Br MOL33828
-O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 MOL33829
-O=C(C1OC1c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 MOL33830
-O=C(C1OC1c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 MOL33831
-O=C(C1OC1c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 MOL33832
-O=C(C1OC1c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 MOL33833
-O=C(C1OC1c1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2 MOL33834
-COc1ccc(C2OC2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 MOL33835
-O=C(C1OC1c1ccc(Br)cc1O)C12CC3CC(CC(C3)C1)C2 MOL33836
-N#Cc1c2c(c(-c3cccs3)n(C3OC(CO)C(O)C(O)C3O)c1=S)CCc1ccccc1-2 MOL33837
-N#Cc1c2c(c(-c3cccs3)n(C3OC(CO)C(O)C(O)C3O)c1=S)CCc1ccccc1-2 MOL33838
-CC(=O)OCC1OC(n2c(-c3cccs3)c3c(c(C#N)c2=S)-c2ccccc2CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33839
-COc1ccc(-c2c(C#N)c(S)nc3c2C(=O)CC(C)(C)C3)cc1 MOL33840
-CC(=O)OCC1OC(n2c(C)c(C)cc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33841
-Cc1cc(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL33842
-N#Cc1ccc(-c2ccc(Cl)cc2)n(C2OC(CO)C(O)C(O)C2O)c1=S MOL33843
-N#Cc1ccc(-c2ccc(Cl)cc2)n(C2OC(CO)C(O)C(O)C2O)c1=S MOL33844
-Cc1cc(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C MOL33845
-CC(=O)OCC1OC(n2c(C)c(C)cc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33846
-CC(=O)OCC1OC(n2c(-c3ccc(Cl)cc3)ccc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33847
-CC(=O)OCC1OC(n2c(-c3ccc(Cl)cc3)ccc(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33848
-Cc1c(C#N)c(N)nc(S)c1C#N MOL33849
-N#Cc1c(N)nc(S)c(C#N)c1-c1ccccc1 MOL33850
-N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1N MOL33851
-COc1ccc(-c2c(C#N)c(N)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL33852
-CC(=O)OCC1OC(n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33853
-Cc1c(C#N)c(N)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL33854
-COc1ccc(-c2c(C#N)c(N)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL33855
-COc1ccc(-c2c(C#N)c(N)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL33856
-COc1ccc(-c2c(C#N)c(N)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL33857
-Cc1c(C#N)c(N)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#N MOL33858
-CC(=O)OCC1OC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33859
-CC(=O)OCC1OC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33860
-N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1N MOL33861
-CC(=O)OC1COC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O MOL33862
-CC(=O)OC1COC(n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O MOL33863
-COc1ccc(-c2c(C#N)c(N)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL33864
-CC(=O)OC1COC(n2c(N)c(C#N)c(C)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O MOL33865
-CC(=O)OC1COC(n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C1OC(C)=O MOL33866
-COc1ccc(-c2c(C#N)c(N)n(C3OCC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL33867
-N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OCC(O)C(O)C2O)c1N MOL33868
-COc1ccc(-c2c(C#N)c(N)n(C3OCC(O)C(O)C3O)c(=S)c2C#N)cc1 MOL33869
-N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OCC(O)C(O)C2O)c1N MOL33870
-Cc1c(C#N)c(N)n(C2OCC(O)C(O)C2O)c(=S)c1C#N MOL33871
-CC(=O)OCC1OC(SC2=NC(=O)CS2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33872
-CC(=O)OCC1OC(SC2=NC(=O)CS2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33873
-CC(=O)OCC1OC(SC2=NC(=O)C(=Cc3ccccc3)S2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33874
-O=C1N=C(SC2OC(CO)C(O)C(O)C2O)SC1=Cc1ccccc1 MOL33875
-N#CCC(=O)NN=CC(O)C(O)C(O)C(O)CO MOL33876
-CC(=O)OCC1OC(n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33877
-COc1ccc(-c2c(C#N)c(O)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL33878
-CC(=O)OCC1OC(n2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL33879
-COc1ccc(-c2c(C#N)c(O)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1 MOL33880
-N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1O MOL33881
-COc1ccc(-c2c(C#N)c(O)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL33882
-N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1O MOL33883
-COc1ccc(-c2c(C#N)c(O)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL33884
-COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC MOL33885
-COc1c(-c2ccc3c(c2)OCO3)oc2cc3c(c(OC)c2c1=O)OCO3 MOL33886
-COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(O)c1OC MOL33887
-COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1OC MOL33888
-COc1c(OC)c(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC MOL33889
-COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1 MOL33890
-COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1O MOL33891
-COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1 MOL33892
-COc1cc2oc(-c3ccc4c(c3)OCO4)c(OC)c(=O)c2c(OC)c1O MOL33893
-COc1cc(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC MOL33894
-COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1 MOL33895
-COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1 MOL33896
-COc1cc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)ccc1O MOL33897
-COc1ccc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc1OC MOL33898
-COc1cc2c(c3oc(=O)cc(C)c13)C(=O)C(C)C(C)O2 MOL33899
-O=c1c(-c2ccc(O)cc2)coc2c(O)c(O)ccc12 MOL33900
-O=c1c(-c2cccc(O)c2)coc2cc(O)c(O)cc12 MOL33901
-O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12 MOL33902
-O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)c(O)cc12 MOL33903
-COc1cc2occ(-c3ccc(O)c(O)c3)c(=O)c2cc1O MOL33904
-O=C1C=CCC(C=CCC(O)CC(O)C=Cc2ccccc2)O1 MOL33905
-COc1ccc(C(NS(=O)(=O)c2ccc(C)cc2)c2c(C(CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC MOL33906
-O=C1CCC(C(=O)N2CSCC2C(=O)O)N1 MOL33907
-O=C(O)C1CSCN1C(=O)C1CCC(=S)N1 MOL33908
-O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1 MOL33909
-COc1ccc(Cn2nc(OCc3ccccn3)c3cc([N+](=O)[O-])ccc32)cc1 MOL33910
-COc1ccc(Cn2nc(OCc3ccccc3)c3cc([N+](=O)[O-])ccc32)cc1 MOL33911
-COc1nn(Cc2ccccc2F)c2ccc([N+](=O)[O-])cc12 MOL33912
-COc1ccccc1Cn1nc(OC)c2cc([N+](=O)[O-])ccc21 MOL33913
-COc1nn(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12 MOL33914
-COc1ccc(Cn2c3ccc([N+](=O)[O-])cc3c(=O)n2Cc2ccccn2)cc1 MOL33915
-O=c1c2cc([N+](=O)[O-])ccc2n(Cc2ccccc2)n1Cc1ccccc1 MOL33916
-Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1F MOL33917
-O=C1Cc2cc3ccccc3nc2-c2ccccc2N1 MOL33918
-O=c1[nH]c2ccccc2c(=O)c2cc3ccccc3cc12 MOL33919
-C=C(Cl)c1c(OC)cccc1OCc1ccccc1 MOL33920
-COc1ccccc1CC1(O)OC(=O)c2ccccc21 MOL33921
-COc1cccc(OC)c1C=C1OC(=O)c2cccc(OC)c21 MOL33922
-CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCOP(C)(=O)O1.[Br-] MOL33923
-CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCOP(C)(=O)O1.[Br-] MOL33924
-CCCCCCCCCCCCCCC(O)C[N+](C)(CCO)CCO.[Cl-] MOL33925
-COC(N)=C(C#N)N=Cc1cccs1 MOL33926
-COC(N)=C(C#N)N=Cc1ccsc1 MOL33927
-COC(c1ccsc1)C(C#N)(C#N)N=Cc1ccsc1 MOL33928
-[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1 MOL33929
-CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 MOL33930
-CSCCC(NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O MOL33931
-CC(=O)Oc1ccc2cc(Oc3ccccc3)c(=O)oc2c1 MOL33932
-CC(=O)Oc1ccc2cc(Oc3ccc(Cl)cc3)c(=O)oc2c1 MOL33933
-CC(=O)Oc1ccc2cc(Oc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 MOL33934
-CC(=O)Oc1ccc2cc(Oc3cc(Cl)c(Cl)cc3Cl)c(=O)oc2c1 MOL33935
-CC(=O)Oc1ccc2c(-c3ccccc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1 MOL33936
-COc1ccc2cc(Oc3ccc(Cl)cc3)c(=O)oc2c1 MOL33937
-COc1ccc2c(O)c(Oc3ccc(Cl)cc3)c(=O)oc2c1 MOL33938
-O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 MOL33939
-O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 MOL33940
-O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 MOL33941
-O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 MOL33942
-O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 MOL33943
-O=C(c1cc(Cl)ccc1Cl)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 MOL33944
-CCOC(=O)Cc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O MOL33945
-COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)C(C)C(C)O2 MOL33946
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL33947
-CC12CN3CC(C)(C)[NH+]4C(=O)C(C)(CN5CC(C)(C)[NH+](C1=O)[Ni-2]534)OCCCCCCCCCCOC1(C)CN3CC(C)(C)[NH+]4C(=O)C(C)(CN5CC(C)(C)[NH+](C1=O)[Ni-2]354)OCCCCCCCCCCO2 MOL33948
-CC12CN3CC(C)(C)[NH+]4C(=O)C(C)(CN5CC(C)(C)[NH+](C1=O)[Ni-2]534)OCCCCCCCCCCOC1(C)CN3CC(C)(C)[NH+]4C(=O)C(C)(CN5CC(C)(C)[NH+](C1=O)[Ni-2]354)OCCCCCCCCCCO2 MOL33949
-CCCCCC(C)SC1(C(=O)OC)CC(OC(C)=O)C(NC(C)=O)C(C(OC(C)=O)C(COC(C)=O)OC(C)=O)O1 MOL33950
-CN(CC(=O)Nc1ccccc1C(=O)O)c1ccccc1 MOL33951
-CC(NC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(N)CCCCN)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(N)=O MOL33952
-Cc1nc(O)nc2nc3cc(Cl)cc(Cl)c3c(NC(C)(CO)CO)c12 MOL33953
-CCOc1ccc2nc3nc(O)nc(C)c3c(NC(C)(CO)CO)c2c1 MOL33954
-CCOc1ccc2nc3nc(O)nc(C)c3c(NCCCN(CC)CC)c2c1 MOL33955
-Cc1nc(O)nc(NCCNCCO)c1C(=O)Nc1cccc2cc3ccccc3cc12 MOL33956
-CCn1c2ccccc2c2cc(NC(=O)c3c(C)nc(O)nc3NCCNCCO)ccc21.Cl MOL33957
-Cc1ccc(C=C2Cc3cccc(C)c3C2=O)c(C(=O)O)c1 MOL33958
-COC(=O)c1cc(C)ccc1C=C1Cc2cccc(C)c2C1=O MOL33959
-Cc1cc(C)c2c(c1)CC(=Cc1ccccc1C(=O)O)C2=O MOL33960
-COC(=O)c1ccccc1C=C1Cc2cc(C)cc(C)c2C1=O MOL33961
-Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1C(=O)O)C2 MOL33962
-COC(=O)c1ccccc1C=C1Cc2c(C)cc(C)cc2C1=O MOL33963
-Cc1ccc(C(=O)O)c(C=C2Cc3cc(C)cc(C)c3C2=O)c1 MOL33964
-Cc1ccc(C=C2Cc3cc(C)c(C)cc3C2=O)c(C(=O)O)c1 MOL33965
-COC(=O)c1cc(C)ccc1C=C1Cc2cc(C)c(C)cc2C1=O MOL33966
-Cc1cc(C)c2c(c1)CC(=Cc1cccc(C)c1C(=O)O)C2=O MOL33967
-COC(=O)c1c(C)cccc1C=C1Cc2cc(C)cc(C)c2C1=O MOL33968
-Cc1ccc2c(c1C)C(=O)C(=Cc1cccc(C)c1C(=O)O)C2 MOL33969
-COC(=O)c1c(C)cccc1C=C1Cc2ccc(C)c(C)c2C1=O MOL33970
-O=C(O)c1ccccc1C=C1Cc2ccccc2C1=O MOL33971
-Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1C(=O)O)C2 MOL33972
-COC(=O)c1ccccc1C=C1Cc2cc(C)c(C)cc2C1=O MOL33973
-Cc1ccc(C(=O)O)c(C=C2Cc3ccc(C)cc3C2=O)c1 MOL33974
-COC(=O)c1ccc(C)cc1C=C1Cc2ccc(C)cc2C1=O MOL33975
-Cc1ccc2c(c1C)C(=O)C(=Cc1ccccc1C(=O)O)C2 MOL33976
-COC(=O)c1ccccc1C=C1Cc2ccc(C)c(C)c2C1=O MOL33977
-Cc1cccc2c1C(=O)C(=Cc1ccccc1C(=O)O)C2 MOL33978
-Cc1ccc(C=C2Cc3c(C)cc(C)cc3C2=O)c(C(=O)O)c1 MOL33979
-COC(=O)c1cc(C)ccc1C=C1Cc2c(C)cc(C)cc2C1=O MOL33980
-Cc1ccc(C)c2c1CC(=Cc1ccccc1C(=O)O)C2=O MOL33981
-O=C(O)c1ccccc1C=C1Cc2ccc3c(c2C1=O)CCC3 MOL33982
-Cc1cccc2c1CC(=Cc1cccc(C)c1C(=O)O)C2=O MOL33983
-COC(=O)c1ccccc1C=C1Cc2c(C)c3c(c(C)c2C1=O)CCC3 MOL33984
-COC(=O)c1ccccc1C=C1Cc2c(ccc3c2CCC3)C1=O MOL33985
-Cc1ccc2c(c1)CC(=Cc1ccccc1C(=O)O)C2=O MOL33986
-O=c1[nH]nc(Cc2ccccc2)[nH]1 MOL33987
-O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 MOL33988
-Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1 MOL33989
-O=c1[nH]nc(-c2cccc(Br)c2)[nH]1 MOL33990
-O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 MOL33991
-O=c1[nH]nc(-c2cccc([N+](=O)[O-])c2)[nH]1 MOL33992
-O=c1[nH]nc(-c2ccc3ccccc3c2)[nH]1 MOL33993
-Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] MOL33994
-CC=Nn1c(C)n[nH]c1=O MOL33995
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccncc1 MOL33996
-COc1ccc(N=NC(=O)NC(Cc2ccccc2)C(=O)O)cc1 MOL33997
-C1CCC(NC2CCCCC2)CC1.COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NCC(=O)O)cc1 MOL33998
-C1CCC(NC2CCCCC2)CC1.COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)cc1 MOL33999
-COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)cc1 MOL34000
-COc1ccc(N=NC(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)C(=O)O)cc1 MOL34001
-N#Cc1ccnc(C(=O)N2CCCC2C(=O)O)c1 MOL34002
-O=C(O)C1CCCN1C(=O)c1cc(Cl)ccn1 MOL34003
-O=C(O)C1CCCN1C(=O)c1ccccn1 MOL34004
-COc1ccnc(C(=O)N2CCCC2C(=O)O)c1 MOL34005
-Nc1nccc2c([N+](=O)[O-])cccc12 MOL34006
-CS(=O)(=O)CC(Cc1ccccc1)C(=O)O MOL34007
-Cc1cc(C)c(C2CNCc3cc4c(cc32)CNCC4c2c(C)cc(C)cc2C)c(C)c1.O=C(O)C(O)c1ccccc1 MOL34008
-CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4CCC3C1CCC2O MOL34009
-Cc1ccc(Cc2n[nH]c(=O)n2-c2ccccc2)cc1 MOL34010
-Cn1nc(Cc2ccc(Cl)cc2)n(N)c1=O MOL34011
-O=C1c2ccccc2C(=O)N1n1c(Cc2ccc([N+](=O)[O-])cc2)n[nH]c1=O MOL34012
-Cc1ccc(-c2n[nH]c(=O)n2N2C(=O)c3ccccc3C2=O)cc1 MOL34013
-Cc1ccc(-c2n[nH]c(=O)n2NC(=O)c2ccccc2C(=O)O)cc1 MOL34014
-CCOC(=O)CCC(C)=Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL34015
-O=c1[nH]nc(-c2ccccc2)n1N=CCCC=Nn1c(-c2ccccc2)n[nH]c1=O MOL34016
-CCOC(=O)Nn1c(C)nnc1CC#N MOL34017
-CCOC(=O)Nn1c(CC#N)nnc1Cc1ccccc1 MOL34018
-N#CCC(=O)Nn1c(CC#N)nnc1Cc1ccccc1 MOL34019
-CCOc1cnc(C(O)(c2ccccc2)c2ccccc2)o1 MOL34020
-c1ccc(COCC23CCN(Cc4ccccc4)C(CC(OCc4ccccc4)C2)S3)cc1 MOL34021
-O=C1CC2SC(COCc3ccccc3)(CCN2Cc2ccccc2)C1 MOL34022
-c1ccc2c(c1)CN1CCCC1CN2 MOL34023
-Cc1ccc2cccc(-c3cccc4ccccc34)c2n1 MOL34024
-O=P1(c2ccccc2)C(c2ccccc2)=CC=C1c1ccccc1 MOL34025
-C1=CC2C=CC(C=C1)P2c1ccccc1 MOL34026
-CC[P+](C#Cc1ccccc1)(c1ccccc1)c1ccccc1.[I-] MOL34027
-CC[P+]1(c2ccccc2)C(C)CCC1C.[I-] MOL34028
-CC[P+](c1ccccc1)(N(C)C)N(C)C.[I-] MOL34029
-CC1(C)C2C=C(CCN3CCOCC3)CC1C2 MOL34030
-C=CCC(C(=O)OC)=C(C(=O)OC)N(CCC)CCC MOL34031
-O=[N+]([O-])c1ccc(S(=O)(=O)N=[IH2]c2ccccc2)cc1 MOL34032
-CC1(C)Oc2ccccc2OC1O MOL34033
-CC1(C)C=C(S(=O)(=O)c2ccccc2)Oc2ccccc2O1 MOL34034
-CC1(CCc2ccccc2)CC1(Br)Br MOL34035
-C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O MOL34036
-O=C1C(c2ccccc2)=C(c2ccccc2)C1(Cl)Cl MOL34037
-CCCCCC1=CC(=O)C1(Cl)Cl MOL34038
-CC(C)(C)OC(=O)NCCC1SC2C=CC1C2 MOL34039
-CC12CCC(C(Nc3ccccn3)C1=O)C2(C)C MOL34040
-COc1ccc(NC2C(=O)C3(C)CCC2C3(C)C)cc1 MOL34041
-CC1(C)C2CCC1(CS(=O)(=O)Nc1ccccc1)C(=O)C2 MOL34042
-c1ccc([Sn]23OCCN(CCO2)CCO3)cc1 MOL34043
-Br[Sn]12c3ccccc3CN(Cc3ccccc31)Cc1ccccc12 MOL34044
-O=C(OCc1ccccc1)c1ccc(NCc2cc(O)ccc2O)cc1 MOL34045
-CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1 MOL34046
-O=C1C=CC(=O)C(CNc2ccc(C(=O)OCc3ccccc3)cc2)=C1 MOL34047
-CC(C)(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1 MOL34048
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)C3CC3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)cn2C)cn1C.Cl MOL34049
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)C3CC3C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)cn2C)cn1C.Cl MOL34050
-COc1ccc(P2(=S)OC(C)(C)C(C)(C)O2)cc1 MOL34051
-COc1ccc(P2(=S)OCCOP(=S)(c3ccc(OC)cc3)S2)cc1 MOL34052
-COc1ccc(P2(=S)Oc3ccccc3-c3ccccc3O2)cc1 MOL34053
-COc1ccc(P2(=S)Oc3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3O2)cc1 MOL34054
-COC(=O)C1(C(=O)OC)Cc2ccc(C)cc2C2=C1C(=O)c1ccccc1C2=O MOL34055
-COC(=O)C1(C(=O)OC)Cc2ccc(OC)cc2C2=C1C(=O)c1ccccc1C2=O MOL34056
-COc1nc(=O)n(C2CC(N=[N+]=[N-])C(CO)O2)cc1C MOL34057
-CC(=O)Oc1ccn2nc(C)c(Br)c2c1 MOL34058
-CC(=O)Oc1ccn2nc(C)c(Cc3c(C)nn4ccc(OC(C)=O)cc34)c2c1 MOL34059
-CC(=O)Oc1ccn2nc(C)c(Br)c2c1Br MOL34060
-COCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL34061
-COCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL34062
-CC1Oc2c3c(c4c(CO)cc(=O)oc4c2C(O)C1C)OC(C)(C)C=C3 MOL34063
-CC(C)Oc1cc2c(c3oc(=O)c4c(c13)CCCC4)C(=O)C(C)C(C)O2 MOL34064
-CCOC(=O)N=NC(=O)OCC MOL34065
-O=S1(=O)OCCOS(=O)(=O)C1Cc1nc2ccccc2[nH]1 MOL34066
-Cc1ccc2ccccc2c1CC1S(=O)(=O)OCCOS1(=O)=O MOL34067
-NNC(=O)c1nn[nH]c1C(=O)NN MOL34068
-NNC(=O)c1ccc(-n2nnc(C(=O)NN)c2C(=O)NN)cc1 MOL34069
-COC(=O)c1ccc(OCCn2nnc(C(=O)NN)c2C(=O)NN)cc1 MOL34070
-NNC(=O)c1nnn(CCc2ccccc2)c1C(=O)NN MOL34071
-O=C(O)CCCn1nnc2c(O)nnc(O)c21 MOL34072
-O=C(O)Cc1ccc(-n2nnc3c(O)nnc(O)c32)cc1 MOL34073
-O=C(O)Cn1nnc2c(O)nnc(O)c21 MOL34074
-CC(C(=O)O)c1ccc(-n2nnc3c(O)nnc(O)c32)cc1 MOL34075
-CC(Nc1nnc(O)c2c1nnn2Cc1ccccc1)c1ccccc1 MOL34076
-CC(Nc1nnc(O)c2c1nnn2Cc1ccccc1)c1ccccc1 MOL34077
-CCCCCCNc1nnc(O)c2c1nnn2Cc1ccccc1 MOL34078
-Oc1nnc(NCCc2ccccc2)c2nnn(Cc3ccccc3)c12 MOL34079
-CN1CCN(c2nnc(O)c3c2nnn3Cc2ccccc2)CC1 MOL34080
-Oc1nnc(NCc2ccccc2)c2nnn(Cc3ccccc3)c12 MOL34081
-Oc1nnc(NNc2ccccc2)c2nnn(C3CCCCC3)c12 MOL34082
-Oc1nnc(Nc2ccccc2)c2nnn(C3CCCCC3)c12 MOL34083
-Oc1nnc(Nc2ccc(Cl)cc2)c2nnn(C3CCCCC3)c12 MOL34084
-CN1CCN(c2nnc(O)c3c2nnn3C2CCCCC2)CC1 MOL34085
-O=[N+]([O-])c1ccc(-n2nnc3c(Nc4ccc(Cl)cc4)nnc(O)c32)cc1 MOL34086
-Cc1ccc(-n2nnc3c(NNc4ccccc4)nnc(O)c32)cc1 MOL34087
-CC(C)OC(=O)NCCn1cc(-c2ccccc2)nn1 MOL34088
-NNC(=O)Cn1ccnn1 MOL34089
-O=C(NCCn1ccnn1)Nc1ccccc1 MOL34090
-O=C(Cn1cc(-c2ccccc2)nn1)NC1CCCC1 MOL34091
-O=C(Cn1cc(-c2ccccc2)nn1)NC1CCCCC1 MOL34092
-C=CN(C=C)C(=O)Cn1cc(-c2ccccc2)nn1 MOL34093
-COc1ccc(CNC(=O)NCn2cc(-c3ccccc3)nn2)cc1 MOL34094
-CC(C)(C)CNC(=O)NCn1cc(-c2ccccc2)nn1 MOL34095
-CC1(C)OCC(COC(=O)NCn2cc(-c3ccccc3)nn2)O1 MOL34096
-Cc1cc(OC(=O)NCn2cc(-c3ccccc3)nn2)ccc1Cl MOL34097
-CC1CCC(C(C)C)C(OC(=O)NCn2cc(-c3ccccc3)nn2)C1 MOL34098
-CC(OC(=O)NCn1cc(-c2ccccc2)nn1)c1ccccc1 MOL34099
-COCCOC(=O)NCn1cc(-c2ccccc2)nn1 MOL34100
-O=C(Cn1cc(Br)c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1 MOL34101
-S=C1Cc2cc3ccccc3nc2-c2ccccc2N1 MOL34102
-N#CC=C(NC(=O)Nc1ccccc1)N1CCCC1 MOL34103
-Cn1c(=O)cc(N2CCCC2)[nH]c1=O MOL34104
-O=c1cc(N2CCCC2)[nH]c(=O)n1-c1ccccc1 MOL34105
-O=c1cc(N2CCCC2)[nH]c(=O)n1Cc1ccccc1 MOL34106
-Nc1cc(N2CCCC2)nc(=O)n1Cc1ccccc1 MOL34107
-NC1CCc2c1nc1c(c2-c2ccccc2)CCC1N MOL34108
-c1ccc(-c2c3c(nc4c2CCC4NC2=NCCN2)C(NC2=NCCN2)CC3)cc1 MOL34109
-Cc1c(CN=[N+]=[N-])c(C)c(CN=[N+]=[N-])c(C)c1CN=[N+]=[N-] MOL34110
-Cc1c(CN)c(C)c(CN)c(C)c1CN.Cl MOL34111
-CC(=NNc1ccccc1Br)c1cccc(C(C)=NNc2ccccc2Br)n1 MOL34112
-O=C(NNC(c1ccccc1)C(F)(F)F)c1ccncc1 MOL34113
-Oc1ccc(-c2cc(-c3cc(-c4ccc(O)cc4)no3)on2)cc1 MOL34114
-CC(C)(C)C1CCC(=O)C(=CCC2CC(=O)N(c3ccccc3)C(=O)C2)C1 MOL34115
-CCCC1CC(=O)NC(=O)C1C(=O)OC(C)(C)C MOL34116
-Cc1ccc(S(=O)c2occc2C=O)cc1 MOL34117
-C=CCCC1(O)C(O)C(CO)OC(OC2(CO)OC(CO)C(O)C2O)C1O MOL34118
-O=NN=c1o[n-][n+](CCc2ccccc2)c1Cc1c(=NN=O)o[n-][n+]1CCc1ccccc1 MOL34119
-O=C=NCCCCCCN1C(=O)N2C(c3ccccc3)N(CCCCCCN=C=O)C(=O)N2C1c1ccccc1 MOL34120
-COc1ccc(C2N(c3ccc(C)c(N=C=O)c3)C(=O)N3C(c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 MOL34121
-COc1cccc2c1C(=O)C1=C(C2=O)C(O)CC(C)(C)O1 MOL34122
-CCOC(=O)C(NC(=O)C(CCCCNP(=O)(OCC)OCC)NC(=O)C(C)NC(C)=O)C(C)C MOL34123
-CC1(C)C(=O)NC(=N)N1C(=O)OCc1ccccc1 MOL34124
-CCOC1CCC(S(=O)c2ccc(C)cc2)=CO1 MOL34125
-CC1=C(S(=O)c2ccc(C)cc2)CCC2(CCCCO2)O1 MOL34126
-CCOC(=O)CN1CC(C2=C(O)CN(CC(=O)OCC)C2=O)=CC1=O MOL34127
-NC(=O)CN1CC(C2=C(O)CN(CC(N)=O)C2=O)=CC1=O MOL34128
-COc1c2cc(C(C)(C)C)cc1Cc1cccc(c1O)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cccc(c1O)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cccc(c1O)C2 MOL34129
-Cn1c2nc(=Nc3ccc(Cl)cc3)[n+]3ccc4ccccc4c3c-2c([O-])n1-c1ccccc1 MOL34130
-O=C(O)C=NNc1nc2ccccc2[nH]1 MOL34131
-COc1ccc(C(=NNc2nc3ccccc3[nH]2)C(=O)O)cc1 MOL34132
-COc1ccc(C(=NNc2nc3ccccc3n2Cc2ccccc2)C(=O)O)cc1 MOL34133
-Cn1c2ccccc2n2c(=O)c(-c3ccc(O)cc3)nnc12 MOL34134
-Cn1c2ccccc2n2c(=O)c(-c3ccc(Cl)cc3)nnc12 MOL34135
-O=c1c(-c2ccccc2)nnc2n(Cc3ccccc3)c3ccccc3n12 MOL34136
-COc1ccc(-c2nnc3n(Cc4ccccc4)c4ccccc4n3c2=O)cc1 MOL34137
-O=c1c(-c2ccc(Cl)cc2)nnc2n(Cc3ccccc3)c3ccccc3n12 MOL34138
-O=c1cnnc2[nH]c3ccccc3n12 MOL34139
-COc1ccc(-c2nnc3[nH]c4ccccc4n3c2=O)cc1 MOL34140
-COc1ccc(-c2nnc3n(C)c4ccccc4n3c2=O)cc1 MOL34141
-Cc1nc2ccc(NC3OC(CO)C(O)C(O)C3O)cc2c(=O)n1-c1ccccc1 MOL34142
-Cc1nc2ccc(NC3OC(CO)C(O)C(O)C3O)cc2c(=O)n1-c1ccccc1 MOL34143
-CC(=O)OCC1OC(Nc2ccc3nc(C)n(-c4ccccc4)c(=O)c3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL34144
-Cc1nc2ccc(NC3OCC(O)C(O)C3O)cc2c(=O)n1-c1ccccc1 MOL34145
-Cc1cccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)c1 MOL34146
-Cc1cccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)c1 MOL34147
-COc1ccc(-n2c(C)nc3ccc(NC4OC(CO)C(O)C(O)C4O)cc3c2=O)cc1 MOL34148
-COc1ccc(-n2c(C)nc3ccc(NC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3c2=O)cc1 MOL34149
-CC(=O)OCC1OC(Nc2ccc3nc(C)n(-c4cccc(C)c4)c(=O)c3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL34150
-COc1ccc(-n2c(C)nc3ccc(NC4OCC(O)C(O)C4O)cc3c2=O)cc1 MOL34151
-COc1ccc(-n2c(C)nc3ccc(NC4OCC(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cc3c2=O)cc1 MOL34152
-COc1ccc(-n2c(C)nc3ccc(NC4OCC(O)C(O)C4O)cc3c2=O)cc1 MOL34153
-Cc1nc2ccc(NC(=S)Nc3ccccc3)cc2c(=O)n1-c1ccccc1 MOL34154
-Cc1cccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)c1 MOL34155
-COc1ccc(-n2c(C)nc3ccc(N=Cc4ccccc4)cc3c2=O)cc1 MOL34156
-COc1ccc(-n2c(C)nc3ccc(NC(=S)Nc4ccccc4)cc3c2=O)cc1 MOL34157
-Cn1c(=O)[nH]c2sc3c(c2c1=N)CCCC3 MOL34158
-COc1nc(C)nc2sc3c(c12)CCCC3 MOL34159
-C1=Nc2sc3c(c2C2=NCCN12)CCCC3 MOL34160
-CC1=Nc2sc3c(c2C2=NCCN12)CCCC3 MOL34161
-N#Cc1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 MOL34162
-N#Cc1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCCC2 MOL34163
-CNc1nc(S)nc2sc3c(c12)CCCC3 MOL34164
-Sc1nc(Nc2ccccc2)c2c3c(sc2n1)CCCC3 MOL34165
-Sc1nc(Nc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 MOL34166
-CCOC(=O)Nc1sc2c(c1C#N)CCCC2 MOL34167
-O=C1NC(=S)NC1=Cc1ccc(Br)s1 MOL34168
-O=C1C(=Cc2ccc(Br)s2)NC(=S)N1c1ccccc1 MOL34169
-O=C1NC(=S)NC1=Cc1ccc(Sc2ccccc2C(=O)O)s1 MOL34170
-O=C(O)c1ccccc1Sc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)s1 MOL34171
-O=C1NC(=S)NC1=Cc1cc2c(=O)c3ccccc3sc2s1 MOL34172
-O=C1C(=Cc2cc3c(=O)c4ccccc4sc3s2)NC(=S)N1c1ccccc1 MOL34173
-O=C1C(=Cc2ccc(Br)s2)NC(=S)N1CN1CCOCC1 MOL34174
-O=C1C(=Cc2ccc(Br)s2)NC(=S)N1CN1CCCCC1 MOL34175
-CC(=O)OCC1OC(SC2=NC(=Cc3ccc(Br)s3)C(=O)N2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL34176
-CC(=O)OCC1OC(SC2=NC(=Cc3ccc(Br)s3)C(=O)N2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL34177
-CC(=O)OCC1OC(SC2=NC(=Cc3ccc(Br)s3)C(=O)N2CN2CCOCC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL34178
-CC(=O)OCC1OC(SC2=NC(=Cc3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL34179
-COCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL34180
-COC(=O)c1cncc2c1CC1C3(C(=O)OC)C=NC(C4C(CO)=CCC43)C21C MOL34181
-CCCc1cc(O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2n1.CS(=O)(=O)O MOL34182
-CCOC(=O)CCCc1cc(O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2n1.CS(=O)(=O)O MOL34183
-CCOC(=O)CCc1c(C)nc2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c1O MOL34184
-CCC(=O)c1ccc2[nH]c3c(C)c4c(O)cc(C)nc4c(C)c3c2c1 MOL34185
-CCN(CC)CCOc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 MOL34186
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(OCCN2CCCC2)cc1 MOL34187
-O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL34188
-CCC1(c2ccc(N3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)CCC(=O)NC1=O MOL34189
-Cl.NC1c2c(Br)sc(Br)c2C(=O)C1Br MOL34190
-CC(C)=CCCC(C)=CCCC1(C)OC(=O)C2CC21 MOL34191
-CC(C)=CCCC(C)=CCCC1(C)OC(=O)C2CC21 MOL34192
-CC(C)=CCOC(=O)C(C)=[N+]=[N-] MOL34193
-COCCOC(=O)C(C)=[N+]=[N-] MOL34194
-CC1(C)OCC(COC(=O)C=[N+]=[N-])O1 MOL34195
-CC1(C)OC2OC(COC(=O)C=[N+]=[N-])C3OC(C)(C)OC3C2O1 MOL34196
-[N-]=[N+]=CC(=O)OCC1SCCCS1 MOL34197
-[N-]=[N+]=CC(=O)OC1CCOCC1 MOL34198
-[N-]=[N+]=CC(=O)OCCCN=[N+]=[N-] MOL34199
-[N-]=[N+]=CC(=O)OCCCCl MOL34200
-[N-]=[NH+]CC(=O)OC(COCc1ccccc1)COCc1ccccc1 MOL34201
-[N-]=[N+]=CC(=O)OC(CCl)CCl MOL34202
-[N-]=[N+]=CC(=O)OC1CCc2ccccc21 MOL34203
-[N-]=[N+]=CC(=O)OC1Cc2ccccc2C1 MOL34204
-CC(C)=CCCC1(C)C2COC(=O)C21 MOL34205
-CC(C)=CCCC1(C)C2COC(=O)C21 MOL34206
-CC(C)=CCCC(C)=CCCC1(C)C2COC(=O)C21 MOL34207
-O=C1CC23CC4CC(CC(C4)C2O1)C3 MOL34208
-O=C1CC2C3CC4CC(C3)CC2(C4)O1 MOL34209
-CC1=CCOC(=O)CCC(C)=CCC1 MOL34210
-CCOc1cc2c(cc1O)C(=O)CC1C2CCC2(C)C(O)CCC12 MOL34211
-CCC(C)(C)OC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL34212
-CC(=O)OC=C1CC2C3CCC4CC(C(C)=O)CCC4(C)C3CCC2(C)C1=O MOL34213
-CC(=O)OC1CCC2C3CCc4c(C)ccc(OS(=O)(=O)c5ccccc5)c4C3CCC12C MOL34214
-CC(=O)Oc1cc(C)c2c(c1)CCC1C3CCC(OC(C)=O)C3(C)CC(O[N+](=O)[O-])C21O MOL34215
-CC(=O)OC1CC2C(CCC3(C)C(OC(C)=O)CCC23)c2c(OS(=O)(=O)c3ccccc3)ccc(C)c21 MOL34216
-Nc1nc(N)c2c(-c3ccccc3)ccnc2n1 MOL34217
-CSCCC(NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 MOL34218
-[N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccc(CSCC(N)C(=O)O)cc3)cc2)CC1 MOL34219
-CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OC)cc1 MOL34220
-C=CCOc1ccc(C2C(C(=O)OCC)C(=O)CC(C)(O)C2C(=O)OCC)cc1OC MOL34221
-CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(N(C)C)cc1 MOL34222
-CCOC(=O)C1C(=O)CC(O)(c2ccccc2)C(C(=O)OCC)C1c1ccc(OC)cc1 MOL34223
-COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccc(N(C)C)cc1 MOL34224
-CCOC(=O)C1C(=O)CC(O)(OCC)C(C(=O)OCC)C1c1ccc(OC)cc1 MOL34225
-CCOC(=O)C1C(=O)CC(O)(c2ccccc2)C(C(=O)OCC)C1c1ccc(N(C)C)cc1 MOL34226
-CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(O)c(OC)c1 MOL34227
-C=CCOc1ccc(C2C(C(=O)OC)C(=O)CC(O)(c3ccccc3)C2C(=O)OC)cc1OC MOL34228
-N#CC12CNCC1CN=N2 MOL34229
-Br.C=CCN1CC2CN=NC2(C#N)C1 MOL34230
-CC(=O)CCN1CC2CN=NC2(C#N)C1 MOL34231
-CCc1n[nH]c(=O)[nH]1 MOL34232
-Cc1nnc(CC#N)n1NC(=O)CC#N MOL34233
-CC(=O)n1nc(-c2ccc3ccccc3c2)nc1C MOL34234
-Cc1ccc(-c2n[nH]c(CC#N)n2)cc1 MOL34235
-N#CCc1nc(-c2ccccc2)n[nH]1 MOL34236
-N#CCc1nc(Cc2ccccc2)n[nH]1 MOL34237
-CCOC(=O)NN=C(CC)OCC MOL34238
-CCOC(=O)NNC(=N)Cc1ccccc1 MOL34239
-CCOC(=O)NNC(=N)c1cccc(Br)c1 MOL34240
-CCOC(=O)NNC(=N)c1cccc([N+](=O)[O-])c1 MOL34241
-C=CCOc1ccc(C(N=Nc2ccccc2)=NNC(=O)c2ccccc2)cc1OC MOL34242
-C=CCOc1ccc(C(N=Nc2ccc(C)cc2)=NNC(=O)c2ccccc2)cc1OC MOL34243
-C=CCOc1ccc(C(N=Nc2ccc([N+](=O)[O-])cc2)=NNC(=O)c2ccccc2)cc1OC MOL34244
-C=CCOc1ccc(C(N=Nc2ccc(Cl)cc2)=NNC(=O)c2ccccc2)cc1OC MOL34245
-O=C(CC(=O)N1N=C(N2CCCCC2)CC1c1ccccc1)Nc1ccccc1 MOL34246
-Cc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)CC2c2ccccc2)cc1 MOL34247
-COc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)CC2c2ccccc2)cc1 MOL34248
-O=C(CC(=O)N1N=C(N2CCCCC2)CC1c1ccccc1)Nc1ccc(Cl)cc1 MOL34249
-CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccccc3)N=C2C)cc1 MOL34250
-CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccc(C)cc3)N=C2C)cc1 MOL34251
-CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccccc3OC)N=C2C)cc1 MOL34252
-CCOc1ccc(N=NC2C(=O)N(C(=O)CC(=O)Nc3ccc(Cl)cc3)N=C2C)cc1 MOL34253
-CCOc1ccccc1N=NC1C(=O)N(C(=O)CC(=O)Nc2ccccc2C)N=C1C MOL34254
-CCOc1ccccc1N=NC1C(=O)N(C(=O)CC(=O)Nc2ccccc2OC)N=C1C MOL34255
-CCOc1ccccc1N=NC1C(=O)N(C(=O)CC(=O)Nc2ccccc2Cl)N=C1C MOL34256
-Cc1ccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccccc3)c2C)cc1C MOL34257
-COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3ccc(C)c(C)c3)c2C)cc1 MOL34258
-Cc1ccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C)cc1C MOL34259
-Cc1cccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccccc3)c2C)c1 MOL34260
-Cc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3cccc(C)c3)c2C)cc1 MOL34261
-COc1ccc(NC(=O)CC(=O)n2nc(C)c(N=Nc3cccc(C)c3)c2C)cc1 MOL34262
-Cc1cccc(N=Nc2c(C)nn(C(=O)CC(=O)Nc3ccc(Cl)cc3)c2C)c1 MOL34263
-CCC1(CC2CC3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=O)COC2(CCCCC2)O1 MOL34264
-C=C(CC)CC1CC2(C(=O)OC)c3[nH]c4ccccc4c3CCN2C1=O MOL34265
-CCC1(CC2CC3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=S)COC2(CCCCC2)O1 MOL34266
-COC(=O)C1(c2ccc(N(C)C)cc2OC)CCCN(C(=O)Oc2ccccc2[N+](=O)[O-])CCc2c1[nH]c1ccccc21 MOL34267
-COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C2C(CCCN2C(=O)CS(=O)c2ccc(C)cc2)C(Cl)C3)cc1 MOL34268
-CCC12C=CC(=S)N(CCSc3ccccc3)C1c1c(n(S(=O)(=O)c3ccc(OC)cc3)c3ccccc13)CC2 MOL34269
-CCC12CCC(=S)N(CCSc3ccccc3)C1c1c(n(S(=O)(=O)c3ccc(OC)cc3)c3ccccc13)CC2 MOL34270
-COC(=O)C12CCC(=O)N1C(C(=O)O)Cc1c2[nH]c2ccccc12 MOL34271
-COC(=O)C1c2c(c3ccccc3n2C(=O)OC)CCN2CCC1C(S(=O)(=O)c1ccccc1)C2=O MOL34272
-COC(=O)n1c(C)c(C=O)c2ccc(OC)cc21 MOL34273
-COC(=O)c1c[nH]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O MOL34274
-COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)C(=O)C(=O)c1[nH]cc(C(=O)OCc3ccccc3)c1-2 MOL34275
-COC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 MOL34276
-COC(=O)c1cc(-c2c[nH]cc2C(=O)OCc2ccccc2)cn1S(=O)(=O)c1ccc(C)cc1 MOL34277
-CCOP(=O)(OCC)OC1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2C1OC MOL34278
-CCOP(=O)(OCC)Oc1c(OC)c2[nH]c(C(=O)OC)cc2c2c(C(=O)O)c[nH]c12 MOL34279
-CCOP(=O)(OCC)OC1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2C1OC MOL34280
-CCOC(=O)c1c[nH]cc1-c1cn(S(=O)(=O)c2ccccc2)cc1C MOL34281
-O=Cc1cc(C(=O)OCc2ccccc2)n(S(=O)(=O)c2ccccc2)c1 MOL34282
-COP(=O)(C=Cc1cc(C(=O)OCc2ccccc2)n(S(=O)(=O)c2ccccc2)c1)OC MOL34283
-COC(=O)c1cc(C=CC(=O)Cc2ccccc2)cn1S(=O)(=O)c1ccccc1 MOL34284
-Cc1ccc(S(=O)(=O)n2cc(C#N)c(C#N)c2)cc1 MOL34285
-Cc1ccc(S(=O)(=O)n2cc(C=O)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3C=O)c2)cc1 MOL34286
-Cc1ccc(S(=O)(=O)n2cc(C=CC#N)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3C=CC#N)c2)cc1 MOL34287
-CC(C)[Si](OC1=CCCC2NC(=O)C(Cc3ccc([N+](=O)[O-])cc3)C12C)(C(C)C)C(C)C MOL34288
-CC(C)[Si](OC1=CCCC2NC(=O)C(Cc3ccccc3)C12C)(C(C)C)C(C)C MOL34289
-CC(C)[Si](OC1=C(c2ccccc2)C(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)CCC1)(C(C)C)C(C)C MOL34290
-O=C1CCCC2(CCCC(O)C2)N1 MOL34291
-OC12C=CC(CCCC1)O2 MOL34292
-O=C(O)c1cc(OS(=O)(=O)O)c(OS(=O)(=O)O)c(OS(=O)(=O)O)c1.[KH] MOL34293
-OC1C2CN3CCN(C2)CC1(c1ccccc1)C3 MOL34294
-NN=C1C2CN3CCN(C2)CC1(c1ccc([N+](=O)[O-])cc1)C3 MOL34295
-O=C(O)C(NCc1ccccc1)C(NCc1ccccc1)C(=O)O MOL34296
-CC1(C)OC2COC(=O)C2O1 MOL34297
-N#CCCC(C=O)(CCC#N)CCC#N MOL34298
-CC(C)C1OCC(CO)CO1 MOL34299
-CCOC(=O)N1N(c2ccccc2)C(=O)C1(c1ccccc1)c1ccccc1 MOL34300
-c1ccc(C2=NCCc3cc4c(cc32)OCO4)cc1 MOL34301
-Cc1ccc(C(CCO)CCO)nc1 MOL34302
-C#CCCCOc1ncccn1 MOL34303
-c1ccc(COc2ncccc2C2SCCCS2)cc1 MOL34304
-CC(=O)OC1CC(C)(C)C(=C=CC(C)=CC=CC=CC=C(C)C=C2C=C(C=CC34OC3(C)CC(O)CC4(C)C)C(=O)O2)C(C)(O)C1 MOL34305
-CC(C)C(C)C1(C)CC1C(C)C1CCC(C2CC=C3CC(O)CCC3(C)C2=O)C1(C)CCO MOL34306
-C=C1C(Cl)C2OC(=O)C(C)C2(O)C(OC(C)=O)C2C(C)(O)C(OC(=O)CCC)CC(OC(C)=O)C2(C)C(OC(C)=O)C2OC12 MOL34307
-Cc1cn(C2CC(Br)C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O MOL34308
-N=C(NO)c1nsnc1C(=N)NO MOL34309
-N#Cc1nsnc1-c1nc(-c2nsnc2C#N)nc(-c2nsnc2C#N)n1 MOL34310
-Oc1nc2[nH]c(-c3ccc(Br)cc3)cc2c2ccccc12 MOL34311
-CCOCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(N)=O MOL34312
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL34313
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OCc1ccccc1)C(N)=O MOL34314
-CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OCc1ccccc1 MOL34315
-CC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 MOL34316
-CC(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 MOL34317
-CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL34318
-CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 MOL34319
-CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N(C)C MOL34320
-CC(NC(=O)CNP(=O)(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1 MOL34321
-CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C MOL34322
-COc1ccc(COC(=O)NCC(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)cc1 MOL34323
-COc1ccc(COC(=O)NCC(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)OCc2ccccc2)cc1 MOL34324
-COCCC(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(N)=O MOL34325
-O=C1c2c(O)cccc2C(O)C23OC12CCC1(O)CCCC(O)C13 MOL34326
-CC(C)[Si](OC1CCCC23OC2CC2C(=O)c4c(O)cccc4C(=O)C2(O)C13)(C(C)C)C(C)C MOL34327
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)c6ccccc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL34328
-CCOC(=O)C1=NNC(C(=O)c2ccccc2)C1c1ccccc1 MOL34329
-CC(C)(C)c1cc(-c2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1O MOL34330
-Cc1cc(C2(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)cc1C1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 MOL34331
-Cc1cc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)cc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 MOL34332
-CC(C)(C)C1=CC(O)(c2c3ccccc3c(C3(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3ccccc23)C=C(C(C)(C)C)C1=O MOL34333
-COC(=O)C(NC(=O)C12CCC(C)(C(=O)O1)C2(C)C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 MOL34334
-CC(C)(C)c1cc(C2NC(=O)NC2=O)cc(C(C)(C)C)c1O MOL34335
-CCCCOC(=O)C(NC(C(=O)OCCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 MOL34336
-CC(C)(C)c1cc(C2COC(=O)COCC(=O)OCCOCCOCCO2)cc(C(C)(C)C)c1O MOL34337
-CC(C)(C)c1cc(C2COC(=O)COCCOCC(=O)OCCOCCO2)cc(C(C)(C)C)c1O MOL34338
-CCOC(=O)C(O)(C(=O)OCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 MOL34339
-CC(C)(C)c1cc(C(O)(C(=O)O)C(=O)O)cc(C(C)(C)C)c1O MOL34340
-CC(C)(C)c1cc(C(CO)OCCOCCO)cc(C(C)(C)C)c1O MOL34341
-CC(C)(C)c1cc(C2COC(c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O MOL34342
-CC1=C(C2=C(C)C(=O)C(=O)c3cc(C)ccc32)c2ccc(C)cc2C(=O)C1=O MOL34343
-O=C1C=C(C2=CC(=O)C(=O)c3ccccc32)c2ccccc2C1=O MOL34344
-Cc1c2c(c(C)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])([PH](c1ccccc1)(c1ccccc1)c1ccccc1)[OH+]3)OCO2 MOL34345
-Cc1c2c(c(C)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]3)OCO2 MOL34346
-Cc1c2c(c(-c3c4c(c(C)c5c3[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]5)OCO4)c3c1[OH+][Re+](C#[O+])(C#[O+])(C#[O+])(C#[O+])[OH+]3)OCO2 MOL34347
-Nc1cc2cccc[n+]2c2cccc(Cl)c12.[Cl-] MOL34348
-Nc1cc2cccc[n+]2c2cc(Cl)ccc12.[Cl-] MOL34349
-Oc1cc2cccc[n+]2c2cccc(Cl)c12.[Cl-] MOL34350
-Oc1cc2cccc[n+]2c2cc(Cl)ccc12.[Cl-] MOL34351
-C[N+](C)(C)C(CSSCC(C(O)=[OH+])[N+](C)(C)C)C(=O)[O-] MOL34352
-N#Cc1c(Sc2ccccc2N)cccc1Sc1ccccc1N MOL34353
-N#Cc1ccccc1CSc1ncnc2[nH]cnc12 MOL34354
-N#Cc1cccc(CSc2ncnc3[nH]cnc23)c1 MOL34355
-N#Cc1ccc(CSc2ncnc3[nH]cnc23)cc1 MOL34356
-CCOC(=O)C1=C(C)NC(c2ccco2)=C(C#N)C1c1cccc([N+](=O)[O-])c1 MOL34357
-CN(C(=O)C12C3C4C1C1C2C3C41C(=O)O)C(C)(C)C MOL34358
-CC(C)N(C)C(=O)C12C3C4C1C1C2C3C41C#N MOL34359
-CC(C)(C)NC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)C MOL34360
-O=C(O)C12C3C4C1C1C2C3C41C(=O)O MOL34361
-COC(=O)C12C3C4C1C1C2C3C41C(=O)NC(C)(C)CC(=O)O MOL34362
-CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41NC(=O)OC(C)(C)C MOL34363
-CC(C)N(C(=O)C12C3(C(=O)C(C)(C)C)C4C5(C#N)C3C1(C(=O)C(C)(C)C)C5C42C(=O)C(C)(C)C)C(C)C MOL34364
-COC(=O)C12C3C4(C(=O)OC)C1C1(C(=O)OC)C2C3(C(=O)OC)C41C(=O)N(C(C)C)C(C)C MOL34365
-CC(C)N(C(=O)C12C3(C(=O)OC(C)(C)C)C4C5(C#N)C3C1(C(=O)OC(C)(C)C)C5C42C(=O)OC(C)(C)C)C(C)C MOL34366
-CN(C(=O)C12C3C4(C(=O)O)C1(C(=O)N(C)C(C)(C)C)C1C2(C(=O)O)C3(C(=O)N(C)C(C)(C)C)C14C(=O)N(C)C(C)(C)C)C(C)(C)C MOL34367
-CN(C(=O)C12C3(C(=O)O)C4C5(C(=O)O)C3C1(C(=O)O)C5C42C(=O)O)C(C)(C)C MOL34368
-NC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1 MOL34369
-CCC(C)C(NC(=O)c1ccccc1S)C(=O)O MOL34370
-C=C1C(OC(=O)C(C)C)C23CC4(O)C5C6(C)CCCC57C(C2CC1(O)C(O)C37)N4C6 MOL34371
-CC=C(C)C(=O)c1c(OCC)cc(OCC)c2c(CCC)cc(=O)oc12 MOL34372
-CCCc1cc(=O)oc2c3c(cc(OC(C)CC)c12)OC(C)C(C)C3=O MOL34373
-O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(OCc3ccc([N+](=O)[O-])o3)N3CCCCC3)O2)cc1F MOL34374
-O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(On3nnc4ccccc43)N3CCCCC3)O2)cc1F MOL34375
-CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=O)[OH+][Cu-2](O)[OH+]2 MOL34376
-Cc1c2c(Cl)c3c(c(Cl)c2c(C)c2c(Cl)c4c(c(Cl)c12)C(c1ccccc1)(c1ccccc1)C4(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C3(c1ccccc1)c1ccccc1 MOL34377
-O=C1CSC(c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1 MOL34378
-O=C1NC(=S)NC1=Cc1c(-c2ccccc2)[nH]c2ccccc12 MOL34379
-CCN(CC)CCON=C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C MOL34380
-CC12CCC(O)CC1=CCC1C2CCC2(C)C(=NOCCN3CCCC3)CCC12 MOL34381
-CCN(CC)CCON=C1CCC2C3CCc4cc(OC)ccc4C3CCC12C.Cl MOL34382
-COc1ccc2c(c1)CCC1C2CCC2(C)C(=NOCCN3CCCC3)CCC12.Cl MOL34383
-CCCC1C(=O)NC(=N)N1C(=O)OCc1ccccc1 MOL34384
-CCCC1C(=O)NC(=N)N1C(=O)OCc1ccccc1 MOL34385
-CCC(C)C1C(=O)NC(=N)N1C(=O)OCc1ccccc1 MOL34386
-N=C1NC(=O)C(CCC(N)=O)N1C(=O)OCc1ccccc1 MOL34387
-CSCCC1C(=O)NC(=N)N1C(=O)OCc1ccccc1 MOL34388
-N=C1NC(=O)C(CSCc2ccccc2)N1C(=O)OCc1ccccc1 MOL34389
-N=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1C(=O)OCc1ccccc1 MOL34390
-CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C MOL34391
-CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(OC5OC(CO)C(O)C(O)C5O)C(=O)CC4C3(C)C(=O)CC12C MOL34392
-CCCCOC(C)(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C MOL34393
-Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3CCC(C)(C)O3)C(O)CC12C MOL34394
-C=C(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C MOL34395
-C=C(C)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C MOL34396
-C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4c(cc(OC5OC(CO)C(O)C(O)C5O)c(O)c4C)C3(C)C(=O)CC12C MOL34397
-CC(C)=CCC(O)C(C)(O)C1C(O)CC2(C)C3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3(C)C(=O)CC12C MOL34398
-Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C MOL34399
-CC(=O)C1C(O)CC2(C)C3CCc4cc(O)c(OC5OC(CO)C(O)C(O)C5O)cc4C3(C)C(=O)CC12C MOL34400
-CC1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C MOL34401
-Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC12C MOL34402
-Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C MOL34403
-Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)CCC(C)(C)O)C(O)CC12C MOL34404
-Cc1c(O)c(OC2OC(CO)C(O)C(O)C2O)cc2c1C=CC1C2(C)C(=O)CC2(C)C(C(C)(O)C(O)C=CC(C)(C)O)C(O)CC12C MOL34405
-CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C MOL34406
-O=C(Nc1ccc(C=Cc2ccc(NC(=O)c3ccc4ccccc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1ccc2ccccc2c1O.[NaH] MOL34407
-CCOc1cc2c(cc1O)C(=NO)CC1C2CCC2(C)C(O)CCC12 MOL34408
-N#Cc1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1 MOL34409
-Fc1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1 MOL34410
-O=P(O)(O)CC1OC(CO)C(O)C1O MOL34411
-N.O=[N+]([O-])c1ccc(OP(=O)(O)OCC2OC(CP(=O)(O)O)C(O)C2O)cc1 MOL34412
-CN(C)CC[N+](C)(C)[B+][C-](O)O MOL34413
-C[N+]1(C)CC[N+](C)(C)B1[C-](O)O.[Br-] MOL34414
-CC(=O)OCc1nc(C#N)c(N)o1 MOL34415
-CCOP(=O)(Cc1nc(C#N)c(N)o1)OCC MOL34416
-N#Cc1nc(-c2ccccn2)oc1N MOL34417
-N#Cc1nc(-c2cccnc2)oc1N MOL34418
-CN1CCOC(c2ccc(Cl)cc2)O1 MOL34419
-[O-][Cl+3]([O-])([O-])O.c1ccc(C2=NN2c2ccccc2)cc1 MOL34420
-CN1CCCOC(c2ccc(Cl)cc2)O1 MOL34421
-CN1CCCOC(c2ccc([N+](=O)[O-])cc2)O1 MOL34422
-CC(C)N1CCCOC(c2ccc([N+](=O)[O-])cc2)O1 MOL34423
-CC1(C)C2CCC1(C)C(OC(=O)C=CC(=O)OC1CC3CCC1(C)C3(C)C)C2 MOL34424
-COc1cc2c3c(c1OC)C(=O)C(=O)C1=C3N(CCC1)CC2 MOL34425
-Cc1ccc2c3c(cnc2n1)C(=O)OCCN3C MOL34426
-N#CCCSC1SC(=C2SC3=C(SCCS3)S2)SC1SCCC#N MOL34427
-Nc1c(Cl)ncnc1NC1CC1CO MOL34428
-CC(C)(C)c1cc2c(O)c(c1)C(c1ccccc1)c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C(c1ccccc1)c1cc(C(C)(C)C)cc(c1O)C2 MOL34429
-CC1CCN(c2nnc(Cl)cc2C(=O)c2ccccc2)CC1 MOL34430
-CC1(O)C2C3CC4C5C3C1C(O)(C5Br)C42 MOL34431
-OC1(c2c(F)c(F)c(F)c(F)c2F)C2C3CC4C5C3C1C(O)(C5Br)C42 MOL34432
-Cc1cc(CN(Cc2ccccc2)Cc2nc3ccccc3[nH]2)c(O)c(CN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)c1.Cl MOL34433
-Cc1cc(O)nc2cc(NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C)ccc12 MOL34434
-Cc1cc(O)nc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12.O=C(O)O MOL34435
-Oc1nnc(Nc2ccccc2)c2nnn(Cc3ccccc3)c12 MOL34436
-OCC1OC(n2cnc3cccnc32)CC1O MOL34437
-Nc1ccnc2c1ncn2C1CC(O)C(CO)O1 MOL34438
-CSC1=C(C#N)C(=C(C#N)C#N)NC(C)=C1C(C)=O MOL34439
-CC(=O)C1=C(C)NC(=C(C#N)C#N)C(C#N)=C1 MOL34440
-O=C(O)C(Oc1ccc2cc(Br)ccc2c1)C(=O)O MOL34441
-COc1ccc2cc(C(=O)NCCCNC(=O)c3ccc4cc(OC)ccc4c3)ccc2c1 MOL34442
-O=C(NCCCNC(=O)c1ccc2cc(O)ccc2c1)c1ccc2cc(O)ccc2c1 MOL34443
-COc1cc2ccc(C(=O)NCCCNC(=O)c3ccc4cc(OC)c(OC)cc4c3)cc2cc1OC MOL34444
-O=C(C=Cc1cc(F)ccc1F)OCCc1ccccc1 MOL34445
-O=C(CCc1cc(O)ccc1O)OCCc1ccccc1 MOL34446
-NC(=O)Nc1ccc(C(=O)NCCCNC(=O)c2ccc(NC(N)=O)cc2)cc1 MOL34447
-O=C(NCCCNC(=O)c1ccc2cc(O)c(O)cc2c1)c1ccc2cc(O)c(O)cc2c1 MOL34448
-COc1ccc2nc3c(nc2c1)C(C)(C)C=C3c1ccc(Br)cc1 MOL34449
-O=c1[nH]c(=O)n(COCc2ccccc2)c2ccsc12 MOL34450
-COC(=O)c1c(C)cccc1C1CN=NC12Cc1cccc(C)c1C2=O MOL34451
-O=c1ccn(C2CC2CO)c(=O)[nH]1 MOL34452
-O=c1ccn(C2CC2CO)c(=O)[nH]1 MOL34453
-OCC1CC1n1cnc2c(O)ncnc21 MOL34454
-OCC1CC1n1cnc2c(O)ncnc21 MOL34455
-Cc1cn(C2CC2CO)c(=O)[nH]c1=O MOL34456
-Cc1cn(C2CC2CO)c(=O)[nH]c1=O MOL34457
-O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.OC1CCN2CCCC12 MOL34458
-O=C1CCN2CCCC12.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 MOL34459
-CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1CCSC MOL34460
-COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1CCSC MOL34461
-COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1CCS(C)=O MOL34462
-O=C1CC(=CO)C(=O)c2ccccc2N1 MOL34463
-CSC(SC)=C1CC(=O)Nc2ccccc2C1=O MOL34464
-CSC1=Nc2ccccc2-c2nc3ccccc3cc2C1 MOL34465
-O=C1Cc2cn[nH]c2-c2ccccc2N1 MOL34466
-CCc1ccc(C=CC(=O)C2CN(CC)CCC2(O)C=Cc2ccc(CC)cc2)cc1.Cl MOL34467
-COc1ccc(C=NNC(=O)c2ccc(O)c(CN(C)C)c2)cc1.Cl MOL34468
-COC(CNC(=O)C(C)NC(=O)C(C)NC(=O)c1ccccc1)OC MOL34469
-COC(CN(C)C(=O)C(C)NC(=O)c1ccccc1)OC MOL34470
-COC(CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)OC MOL34471
-COC(CNC(=O)C(C)NC(=O)C=Cc1ccccc1)OC MOL34472
-COC(CNC(=O)C(C)NC(=O)CCc1ccccc1)OC MOL34473
-O=[N+]([O-])c1cccc(-c2ncc3c(n2)-c2ccccc2C3)c1 MOL34474
-O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21 MOL34475
-CC(NC(=O)c1ccccc1)NC(=O)C(C)C(=O)Nc1ccccc1 MOL34476
-CC(NC(=O)Cc1ccccc1)NC(=O)C(C)C(=O)NCc1ccccc1 MOL34477
-CC(NC(=O)Cc1ccccc1)NC(=O)C(C)C(=O)Nc1ccccc1 MOL34478
-CC(NC(=O)C(C)C(=O)Nc1ccc(C(F)(F)F)cc1)C(N)=O MOL34479
-CC(NC(=O)C(C)C(=O)NCc1ccc(C(F)(F)F)cc1)C(N)=O MOL34480
-Cc1nc2c(c(N3CCN(C)CC3)n1)Cc1ccccc1-2 MOL34481
-CN1CCN(Cc2cc3c(nn2)-c2ccccc2C3=O)CC1 MOL34482
-CC(C(=O)NCNC(=O)c1ccccc1)C(=O)Nc1ccccc1 MOL34483
-CC(C(=O)NCNC(=O)c1ccccc1)C(=O)NCc1ccccc1 MOL34484
-O=C1c2ccccc2-c2nnc3c(c21)-c1ccccc1C3 MOL34485
-O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1 MOL34486
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)n1 MOL34487
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)O)O2)c(=O)n1 MOL34488
-CCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(CO)O2)c(=O)n1 MOL34489
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(CO)O2)c(=O)n1 MOL34490
-CCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)C(O)C2O)c(=O)n1 MOL34491
-CCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C(CO)O2)c(=O)n1 MOL34492
-Cc1cc(=O)oc2c3c(cc(OC(C)C)c12)OC(C)C(C)C3=O MOL34493
-CC(C)Oc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)C(=O)C(C)C(C)O2 MOL34494
-CC(C)Oc1cc2c(c3oc(=O)c4c(c13)CCC4)C(=O)C(C)C(C)O2 MOL34495
-CC(C)Oc1cc2c(c3oc(=O)cc(CCl)c13)C(=O)C(C)C(C)O2 MOL34496
-CC(=O)Nc1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)c4ccccc4nc23)cc1 MOL34497
-CCOC(=O)c1ccc(NC(=O)c2cccc3c(Nc4ccc(S(=O)(=O)Nc5cc(C)on5)cc4)c4ccccc4nc23)cc1 MOL34498
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(N)=O)cccc34)cc2)no1 MOL34499
-CCOC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c3ccccc3nc12 MOL34500
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)O)cccc34)cc2)no1 MOL34501
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCC#N)cccc34)cc2)no1 MOL34502
-CCOC(=O)CNC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c3ccccc3nc12 MOL34503
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NC=O)cccc34)cc2)no1 MOL34504
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)O)cc5)cccc34)cc2)no1 MOL34505
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccccc5)cccc34)cc2)no1 MOL34506
-Cc1cc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)no1 MOL34507
-Nc1nc(Cl)c2ncn(C3C=CC(CO)CC3)c2n1 MOL34508
-Nc1nc(N)c2ncn(C3C=CC(CO)CC3)c2n1 MOL34509
-Nc1nc(O)c2ncn(C3C=CC(CO)CC3)c2n1 MOL34510
-Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)CC3)c2n1 MOL34511
-COC(=O)OCC1C=CC(n2cnc3c(Cl)nc(N)nc32)CC1 MOL34512
-OCC1C=CC(n2cnc3c(Cl)ncnc32)CC1 MOL34513
-Nc1ncnc2c1ncn2C1C=CC(CO)CC1 MOL34514
-OCC1C=CC(n2cnc3c(O)ncnc32)CC1 MOL34515
-COC(=O)OCC1C=CC(n2cnc3c(Cl)ncnc32)CC1 MOL34516
-CC(C)=NNc1cnnc2ccc([N+](=O)[O-])cc12 MOL34517
-NNC(=O)c1cc(=O)[nH][nH]1 MOL34518
-CN(C)c1ccc(N=Nc2cccc3ncccc23)cc1 MOL34519
-Cc1cc2ccc(N)nc2nc1O MOL34520
-N#CCCC(CCC#N)(CCC#N)NO MOL34521
-CCCC(CCC(N)=O)(CCC(N)=O)[N+](=O)[O-] MOL34522
-O=C(O)c1ccc(-c2ccc(C(=C(F)F)C(F)(F)F)cc2)cc1 MOL34523
-NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O MOL34524
-NC(=O)CCN(CCC(N)=O)CCC(N)=O MOL34525
-CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2n1 MOL34526
-CC(=O)Nc1ccc2cc(C)c(O)nc2n1 MOL34527
-CCN(CC)N=Cc1c2ccccc2cc2ccccc12 MOL34528
-FC(F)=C(c1ccc(-c2ccc(Cl)cc2)cc1)C(F)(F)F MOL34529
-CCCC(CCN)(CCN)[N+](=O)[O-].Cl MOL34530
-O=C(NCCC1([N+](=O)[O-])CCN(C(=O)c2ccccc2)CC1)c1ccccc1 MOL34531
-CN(C)c1ccc(N=Nc2ccc3[nH]cnc3c2)cc1 MOL34532
-Cc1ccnc2nc(N)ccc12 MOL34533
-Cl.NCCC1(N)CCNCC1 MOL34534
-Cl.NCCC1([N+](=O)[O-])C=CN=CC1 MOL34535
-Br.NCCC1([N+](=O)[O-])CCNCC1 MOL34536
-CC(=O)Nc1cccc(C(CC(=O)O)CC(=O)O)c1 MOL34537
-CC(CCC(N)=O)(CCC(N)=O)[N+](=O)[O-] MOL34538
-COc1ccc(C(CC(=O)O)CC(=O)O)cc1[N+](=O)[O-] MOL34539
-Cc1cc(N=Nc2c(C)ccc3ncccc23)ccc1N MOL34540
-CC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-] MOL34541
-CN1B(c2ccccc2)N(C)C(=O)N(C)C1=O MOL34542
-OC(c1ccccc1)(c1cccnc1)C(O)(c1ccccc1)c1cccnc1 MOL34543
-O=[N+]([O-])c1cccc2nnccc12 MOL34544
-Nc1cccc2nnccc12 MOL34545
-Brc1ccc(N=Nc2ccc3ccccc3n2)cc1 MOL34546
-Cc1cc(C)c2cc(N)c(Cl)nc2n1 MOL34547
-Cc1c(N=Nc2ccc(N(C)C)cc2)cc[n+]([O-])c1C MOL34548
-CCOC(=O)C(C(C)=O)C(c1ccc(N(C)C)cc1)C(C(C)=O)C(=O)OCC MOL34549
-CCOC(=O)NN(CCOS(=O)(=O)c1ccc(C)cc1)CCOS(=O)(=O)c1ccc(C)cc1 MOL34550
-Nc1cccc(C(CC(=O)O)CC(=O)O)c1 MOL34551
-CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(N(C)C)cc1 MOL34552
-CC1=C(C)CS(=O)(=O)N(c2ccccc2)C1 MOL34553
-NC(=O)CCC(CCC(N)=O)(CCC(N)=O)[N+](=O)[O-] MOL34554
-CCCC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-] MOL34555
-CC(CNC(=O)c1ccccc1)(CNC(=O)c1ccccc1)[N+](=O)[O-] MOL34556
-CC1=CC(=NOCC(=O)O)CC(c2ccc(C(C)C)cc2)C1 MOL34557
-CCC(CCN)(CCN)[N+](=O)[O-].Cl MOL34558
-CC(=O)Nc1ccc2c(C(=O)O)c(C)c(O)nc2n1 MOL34559
-Cl.NC1(CCNC(=O)c2ccccc2)CCN(C(=O)c2ccccc2)CC1 MOL34560
-Cc1cc(Cl)nc2nc(Cl)c(N)cc12 MOL34561
-CC(=O)C(CCC#N)(CCC#N)CCC#N MOL34562
-N#CCCC(CCC#N)(CCC#N)[N+](=O)[O-] MOL34563
-CCOC(=O)c1ccc(N=[N+]([O-])c2ccc(C(=O)OCC)cc2)cc1 MOL34564
-Nc1ccc2c(O)cc(O)nc2n1 MOL34565
-CN(C)c1ccc(N=Nc2cccc3ccoc23)cc1 MOL34566
-Cc1cc(N(C)C)ccc1N=Nc1ccc2ncccc2c1 MOL34567
-O=[N+]([O-])c1ccc2ncccc2c1CCc1c([N+](=O)[O-])ccc2ncccc12 MOL34568
-CCOP(=O)(OCC)C(C#N)=Cc1cn(C)cn1 MOL34569
-Cn1cnc(C=CC#N)c1 MOL34570
-CCOP(=O)(OCC)C(C#N)=Cc1cccn1C(C)C MOL34571
-CCOP(=O)(OCC)C(C#N)=Cc1cccn1CC(C)C MOL34572
-CCOP(=O)(OCC)C(C#N)=Cc1cccn1Cc1ccccc1 MOL34573
-COc1cc(C2C(O)N(C)C(=O)C23CCCN3C)c(Br)cc1Br MOL34574
-CCC1CC2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)C6(C(=O)OC)CC7CC(CC)C6N(CC8)C7)c(O)ccc45)C(C(=O)OC)(C2)C13 MOL34575
-CCC(C)C(=O)OC1C(OC(C)=O)C(OC(C)=O)C2(COC(C)=O)C(OC(C)=O)C(=O)C3C(OC(C)=O)C2(OC3(C)COC(=O)c2ccccc2)C1(C)O MOL34576
-COC(=O)N1CCC2CCC=C(c3cccc4c3OCO4)C21 MOL34577
-CCOC(=S)SCC(=NOC(C)(C)OC)c1ccccc1 MOL34578
-C=CCC1(O)C(=O)OC2C(O)COC21O MOL34579
-C=CCOC1(CC=C)C(=O)OC2C(O)COC21O MOL34580
-C=CCOC1=C(OC(C)=O)C(=O)OC1C1COC(C)(C)O1 MOL34581
-C=CCC1(OC(C)=O)C2OC(=O)C1(O)OCC2O MOL34582
-COC(=O)c1ccc(C=Cc2cc(O)ccc2O)cc1 MOL34583
-O=c1oc2ccccc2c2nc3ccccc3cc12 MOL34584
-O=C(NCc1ccc(Cl)cc1)c1cc2sccc2nc1C(F)(F)F MOL34585
-O=C(NCc1cccc(C(F)(F)F)c1)c1cc2sccc2nc1C(F)(F)F MOL34586
-COC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1 MOL34587
-NNC(N)Nc1ccccc1.O=[N+]([O-])[O-] MOL34588
-Cc1cn(C2CC(N=[N+]=[N-])C(COC(=O)C(O)C3(O)CCC4C5CCC6=CC(=O)C=CC6(C)C5C(O)CC43C)O2)c(=O)[nH]c1=O MOL34589
-Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1-c1ccccc1 MOL34590
-Cc1c(Cl)nc(Nc2nc3ccccc3[nH]2)nc1Cl MOL34591
-Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1Cc1ccccc1 MOL34592
-Cc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1CCCl MOL34593
-Oc1nc(Nc2nc3ccccc3[nH]2)nc(O)c1Cc1ccccc1 MOL34594
-CCCc1c(O)nc(Nc2nc3ccccc3[nH]2)nc1O MOL34595
-Clc1cc(-c2ccccc2)nc(Nc2nc3ccccc3[nH]2)n1 MOL34596
-O=c1c2c([nH]n1-c1nc(O)c(-c3ccccc3)c(O)n1)CCCC2 MOL34597
-Cc1c(O)nc(-n2[nH]c3c(c2=O)CCCC3)nc1O MOL34598
-CCOC(=O)c1cnc(-n2[nH]c3c(c2=O)CCCC3)nc1O MOL34599
-O=C(O)c1cnc(-n2[nH]c3c(c2=O)CCCC3)nc1O MOL34600
-N#Cc1cnc(-n2[nH]c3c(c2=O)CCCC3)nc1O MOL34601
-Cc1cc(O)nc(-n2[nH]c3c(c2=O)CCCC3)n1 MOL34602
-O=c1c2c([nH]n1-c1nc(O)cc(-c3ccccc3)n1)CCCC2 MOL34603
-Cc1[nH]n(-c2nc(O)c(C)c(O)n2)c(=O)c1CCO MOL34604
-Cc1[nH]n(-c2nc(O)c(-c3ccccc3)c(O)n2)c(=O)c1CCO MOL34605
-N=c1ncn2c(nc3ccccc32)[nH]1 MOL34606
-N#Cc1c(-c2ccccc2)c(C=O)c(=O)n2c1[nH]c1ccccc12 MOL34607
-O=C1C=C(NC(c2ccccc2)c2nc3ccccc3[nH]2)C(c2ccccc2)N1c1ccccc1 MOL34608
-Cc1nc2ccccc2c(=O)n1Cc1nc2ccccc2[nH]1 MOL34609
-Cc1cccc(N2C(=O)C=C(NC(CC(C)C)c3nc4ccccc4[nH]3)C2c2ccccc2)c1 MOL34610
-CCc1c(O)n(Cc2ccccc2)c(=S)n(Cc2nc3ccccc3[nH]2)c1=O MOL34611
-O=c1c(Cc2ccccc2)c(O)n(-c2ccccc2)c(=S)n1Cc1nc2ccccc2[nH]1 MOL34612
-CCc1c(O)n(-c2ccccc2)c(=S)n(Cc2nc3ccccc3[nH]2)c1=O MOL34613
-Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[OH+][Pd-2]23[N+](C)(C)CC[N+]2(C)CC[N+]3(C)C)cc1 MOL34614
-Cc1c(Cl)c(=O)oc2cc(OCC(=O)c3ccccc3)ccc12 MOL34615
-CC(=O)Oc1cccc2c1C(=O)CCCC2 MOL34616
-O=C(O)COc1cccc2ccccc(=O)c12 MOL34617
-c1ccc2coc3cccc(c1)c23 MOL34618
-COc1ccc2c(cnc3c4cc(OC)c(OC)cc4ccc23)c1 MOL34619
-O=Cc1cc(O)ccc1Br MOL34620
-COc1cc2cccc(N)c2cc1OC MOL34621
-COc1ccc(Br)c(C=Nc2cccc3cc(OC)c(OC)cc23)c1 MOL34622
-COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[I-] MOL34623
-CC(=O)OC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1O MOL34624
-CC(=O)OC1OC(C2c3cccc(O)c3C(=O)c3c(O)cc(CO)cc32)C(O)C(O)C1O MOL34625
-N#Cc1cc2c(cc1C#N)SCCSCCCSCCS2 MOL34626
-N=C1NC(=N)c2cc3c(cc21)SCCSCCCSCCS3 MOL34627
-C=CC(O)C#Cc1cnc(OC)nc1OC MOL34628
-C=CC(=O)C#Cc1cnc(OC)nc1OC MOL34629
-CC=CC(O)C#Cc1cnc(OC)nc1OC MOL34630
-CC=CC(=O)C#Cc1cnc(OC)nc1OC MOL34631
-CN(C)C=Cc1c2c(nc3ccccc13)C(=O)c1ccccc1C2=O MOL34632
-CN(C)C=Cc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O MOL34633
-CN(C)CCc1c2c(nc3ccccc13)C(=O)c1cccnc1C2=O MOL34634
-O=C1c2ccccc2-c2nccc3ccnc1c23 MOL34635
-CCOC(=O)C=CC(O[Si](CC)(CC)CC)C(C)(C)C MOL34636
-CCOC(=O)C=CC(CC)O[Si](C(C)C)(C(C)C)C(C)C MOL34637
-CCOC(=O)C=CC(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C MOL34638
-CCOC(=O)C=CCCO[Si](C)(C)C(C)(C)C MOL34639
-CCCC[Si](CCCC)(CCCC)OC(C=CC(=O)OCC)C(Cc1ccccc1)O[Si](CCCC)(CCCC)CCCC MOL34640
-CC(C)OC(=O)C1OC(C)(C)OC1C(=O)OC(C)C MOL34641
-CC1(C)OC(C(=O)O)C(C(=O)O)O1 MOL34642
-CCOC(=O)C=CC1OC(C)(C)OC1C=CC(=O)OCC MOL34643
-COC(=O)CNC(=O)C=CC(O[Si](C)(C)C(C)(C)C)C(C=CC(=O)NCC(=O)OC)O[Si](C)(C)C(C)(C)C MOL34644
-CCOC(=O)C=CC(O)C(O)C=CC(=O)OCC MOL34645
-CC(=O)OCC=CC(O)C(C=CCOC(C)=O)O[Si](C)(C)C(C)(C)C MOL34646
-OCC=CC(OCc1ccccc1)C(C=CCO)OCc1ccccc1 MOL34647
-CC=CC(O[Si](C)(C)C(C)(C)C)C(O)C=CC(=O)OCC MOL34648
-COC=CC=C(C#N)C(=O)OC MOL34649
-O=S(=O)(NC1OCCCC1I)c1ccccc1 MOL34650
-CC(C)(C)[Si](C)(C)OC(C(=O)OC1C=CCCC1)C(NC(=O)c1ccccc1)c1ccccc1 MOL34651
-COc1ccc(C(OC(=O)C(O[Si](C)(C)C(C)(C)C)C(NC(=O)c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 MOL34652
-O=C(NC(c1ccccc1)C(O)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 MOL34653
-CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C MOL34654
-COC(=O)c1ccc(C=CC2=CC(=O)C=CC2=O)cc1 MOL34655
-Cc1ccc2[nH]c3nc(S)nc(O)c3c2c1 MOL34656
-Cc1ccc(NC=O)c(-c2c(N)nc(S)nc2O)c1 MOL34657
-NC(=O)Cc1ncn(-c2ccccc2)n1 MOL34658
-Cn1c(=O)c2c3ccccc3n(C)c2n(C)c1=O MOL34659
-Cc1ccc2[nH]c3c(c(=O)n(C)c(=O)n3C)c2c1 MOL34660
-Oc1nc(O)c2c(n1)[nH]c1ccc(Br)cc12 MOL34661
-Cc1cc2[nH]c3nc(O)nc(O)c3c2cc1C MOL34662
-Cn1c2ccccc2c2c(O)nc(O)nc21 MOL34663
-Cn1c(=O)[nH]c2[nH]c3ccccc3c2c1=O MOL34664
-Oc1nc(O)c2c(n1)[nH]c1ccccc12 MOL34665
-Cc1cccc2c1[nH]c1nc(O)nc(O)c12 MOL34666
-Cc1ccc2[nH]c3nc(O)nc(O)c3c2c1 MOL34667
-Nc1cc(O)nc(N)n1 MOL34668
-CCc1ccc(Nc2cc(=O)n(C)c(SCc3ccccc3)n2)cc1 MOL34669
-CCc1ccc(Nc2cc(O)nc(SCc3ccccc3)n2)cc1 MOL34670
-Cc1ccc(OC2CC(n3cnc4c(O)nc(Br)nc43)OC2Oc2ccc(C)cc2)cc1 MOL34671
-CC(=O)OCC1OC(n2cnc3nc(Br)nc(O)c32)C(OC(C)=O)C1OC(C)=O MOL34672
-CCCCc1ccc(Nc2nc(O)c3ncn(C4OC(COC(C)=O)C(OC(C)=O)C4OC(C)=O)c3n2)cc1 MOL34673
-CCCCc1ccc(Nc2nc(Cl)c3ncn(C4CC(Oc5ccc(C)cc5)C(COc5ccc(C)cc5)O4)c3n2)cc1 MOL34674
-CCCCc1ccc(Nc2nc(Cl)c3c(ncn3C3CC(Oc4ccc(C)cc4)C(COc4ccc(C)cc4)O3)n2)cc1 MOL34675
-CCCCc1ccc(Nc2nc(Cl)c3ccn(C4CC(Oc5ccc(C)cc5)C(COc5ccc(C)cc5)O4)c3n2)cc1 MOL34676
-Oc1nc(Br)nc2[nH]nnc12 MOL34677
-Oc1nc(S)nc2[nH]cnc12 MOL34678
-Oc1nc(S)nc2[nH]c(=S)[nH]c12 MOL34679
-Nc1nc(N)nc(Cl)n1 MOL34680
-Nc1cc(N)nc(S)n1 MOL34681
-CC(=O)OCC1OC(n2c(C#N)cc(=O)[nH]c2=O)CC1OC(C)=O MOL34682
-CC(C)[Si]1(C(C)C)OCC2OC(n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)CC2O[Si](C(C)C)(C(C)C)O1 MOL34683
-CC(C)[Si]1(C(C)C)OCC2OC(N3C(=O)NC(=O)CC3C(O)c3ccccc3)CC2O[Si](C(C)C)(C(C)C)O1 MOL34684
-COc1ccc(C(OCC2OC3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)C(Oc4nc(=O)ccn43)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1 MOL34685
-N=C1NC2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O1 MOL34686
-COC(O)C12OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC3C1Oc1nc(=O)ccn12 MOL34687
-COC(=O)C12OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC3C1Oc1nc(=O)ccn12 MOL34688
-CC(C)[Si]1(C(C)C)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)(CO)C2O[Si](C(C)C)(C(C)C)O1 MOL34689
-CC(C)[Si]1(C(C)C)OCC2OC(n3ccc(=O)[nH]c3=O)C([Se]c3ccccc3)C2O[Si](C(C)C)(C(C)C)O1 MOL34690
-O=c1ccn(C2OC(CO)C(O)C2[Se]c2ccccc2)c(=O)[nH]1 MOL34691
-CCc1n[nH]c(=O)n1O MOL34692
-O=c1[nH]nc(Cc2ccccc2)n1O MOL34693
-CCc1n[nH]c(=O)n1CC MOL34694
-Cc1ccc(Cc2n[nH]c(=O)n2Nc2ccccc2)cc1 MOL34695
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1O MOL34696
-CCc1n[nH]c(=O)n1N=Cc1ccccc1Cl MOL34697
-CCc1n[nH]c(=O)n1N=Cc1ccc(C)cc1 MOL34698
-CCOC(=O)NN=C(OCC)c1ccccc1 MOL34699
-CCOC(=O)NN=C(CC)NO MOL34700
-O=C1C=CC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O MOL34701
-O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O MOL34702
-CCC1Sc2cc(OC)cc([N+](=O)[O-])c2NC1=O MOL34703
-CCC1Sc2cc(OC)cc(N)c2NC1=O MOL34704
-CCC1Sc2cc(OC)cc(NC=O)c2NC1=O MOL34705
-CCC1Sc2cc(OC)cc3c2N(CCN3)C1=O MOL34706
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12 MOL34707
-N=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2ncc(-c3ccc(-c4ccccc4)cc3)nc12 MOL34708
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)c2nc(-c3ccc(-c4ccccc4)cc3)cnc12 MOL34709
-N=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc(-c3ccc(-c4ccccc4)cc3)cnc12 MOL34710
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc3cc4ccccc4cc3nc12 MOL34711
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc3ccc4ccccc4c3nc12 MOL34712
-O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)c2nc3ccc4cc5ccccc5cc4c3nc12 MOL34713
-Nc1ncnc2c1ncc(=O)n2C1CC(O)C(CO)O1 MOL34714
-Cc1nc2c(=O)[nH]c(=O)nc-2n(CCO)c1C MOL34715
-O=c1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)[nH]1 MOL34716
-Cn1c(=O)nc2n(CCO)ccnc-2c1=O MOL34717
-Cc1nc2c(=O)n(C)c(=O)nc-2n(CCO)c1C MOL34718
-Cn1c(=O)nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c1=O MOL34719
-CNc1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1.Cl MOL34720
-CN(C)c1nc2n(CCO)ccnc-2c(=O)n1 MOL34721
-CN(C)c1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1 MOL34722
-COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1 MOL34723
-COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C MOL34724
-N#Cc1ccccc1NC(=O)C(O)C(O)C(O)C(O)C=O MOL34725
-Cc1c(OCc2cccc3ccccc23)ccc2c(O)cc(=S)oc12 MOL34726
-Cc1c(OCc2cccc3ccccc23)ccc2c(=O)cc(SCCN3CCOCC3)oc12 MOL34727
-CCN(CC)C1=Nc2ccccc2-n2ccnc2C1 MOL34728
-CCN(CC)C1=Nc2ccccc2-n2c(C)cnc2C1 MOL34729
-O=c1cc(N2CCN(c3cc(=O)n4ccccc4n3)CC2)oc2ccccc12 MOL34730
-CCS(=O)(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C MOL34731
-CC1=NN(C(=O)c2ccncc2)C(=O)C1 MOL34732
-CC1=CC(C)=Nc2ccc(C)cc2N1.[O-][Cl+3]([O-])([O-])O MOL34733
-CC(=O)N1NC(=N)CC1=O MOL34734
-COC(=O)C1COC(C(C)(C)C)N1C(=O)C(c1ccccc1)c1ccccc1 MOL34735
-CC1(C)C(C(=O)O)N2C(=O)C(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2S1(=O)=O.[NaH] MOL34736
-O=c1ccn(CC=Cc2ccccc2)c(=S)n1CC=Cc1ccccc1 MOL34737
-C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=N MOL34738
-C=CCn1c(-c2ccc(-c3csc(=NN=O)n3CC=C)cc2)csc1=NN=O MOL34739
-Cn1c(=NN=C2C=C3CCCCC3(C)CC2)sc2ccccc21 MOL34740
-COC(=O)C(NS(=O)(=O)CC12CCC(CC1)C2(C)C)C(C)(C)C MOL34741
-Fc1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1 MOL34742
-Brc1c2c(c(Br)c3nsnc13)N=S=N2 MOL34743
-CC(C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)OC(c2ccccc2)C1c1ccccc1 MOL34744
-Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCNCC2)cc1 MOL34745
-Cc1ccc(S(=O)(=O)N2CCN(CCO)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(CCO)CC2)cc1 MOL34746
-CC(=NNC(=N)OB(F)F)c1ccccn1 MOL34747
-CC(=NNC(=N)SB(F)F)c1ccc2ccccc2c1 MOL34748
-CC(C)(C)c1ccc(-n2c3nc(=O)n(-c4ccccc4CO)c(=O)c-3cc3ccccc32)cc1 MOL34749
-CC(C)(C)c1ccc(-n2c3nc(=O)n(-c4ccccc4C(F)(F)F)c(=O)c-3cc3ccccc32)cc1 MOL34750
-Cc1ccccc1-n1c(=O)nc2n(-c3ccc(C(C)(C)C)cc3)c3ccccc3cc-2c1=O MOL34751
-Cn1c(=O)c2c(nc(Nc3ccc(Cl)cc3)n3c(=O)n(-c4ccccc4)c(=O)n23)n(C)c1=O MOL34752
-CCOc1ccc(-n2c(=O)n3c(Nc4ccc(Cl)cc4)nc4c(c(=O)n(C)c(=O)n4C)n3c2=O)cc1 MOL34753
-C1CNCCNCCN1 MOL34754
-O=C(OCc1ccccc1)N1CCNCCNCC1 MOL34755
-CCOC(=O)N1CCNCCN(C(=O)OCC)CCNCC1 MOL34756
-Cl.O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CCNCC1 MOL34757
-Cl.O=C(O)CN1CCNCCN(CC(=O)O)CCNCC1 MOL34758
-O=P(O)(O)CN1CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1 MOL34759
-O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1 MOL34760
-COc1ccc(C(Cl)=C(C#N)c2ccc(OC)c(OC)c2)cc1OC MOL34761
-COc1ccc(C=C2C(=O)N(C)C(=O)c3cc(OC)c(OC)cc32)cc1OC MOL34762
-COc1ccc(C=C(C(=O)OCC(C)C)c2ccc(OC)c(OC)c2)cc1OC MOL34763
-COc1ccccc1CNCc1nc2ccccc2[nH]1.Cl MOL34764
-Cl.Oc1ccccc1CNCc1nc2ccccc2[nH]1 MOL34765
-c1ccc(CCN(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1 MOL34766
-Cc1cc2nc3ccccc3n2c2nc(N)ccc12 MOL34767
-Cc1ccnc2c1ccc1nc3ccccc3n12 MOL34768
-Cc1ccnc2nc3[nH]c4ccccc4c3cc12 MOL34769
-CC(=O)Nc1ccc2c(C)c3c(nc2n1)[nH]c1ccccc13 MOL34770
-CC(=O)Nc1ccc2c(C)c3c4ccccc4n(C)c3nc2n1 MOL34771
-CCCCCCCCCCCCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 MOL34772
-CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 MOL34773
-CCOC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 MOL34774
-O=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 MOL34775
-O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2ccccc2nc1NCc1ccc(Cl)c(Cl)c1 MOL34776
-COc1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1 MOL34777
-O=C(O)c1nc2ccccc2nc1NCc1ccc(F)cc1 MOL34778
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1 MOL34779
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(OC)cc1 MOL34780
-O=C(O)CCC(NC(=O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1)C(=O)O MOL34781
-CN(C)Cc1cc(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc(CN(C)C)c1O.Cl MOL34782
-CN(C)Cc1cc(C(=O)C=Cc2ccc(O)cc2)cc(CN(C)C)c1O.Cl MOL34783
-CN(C)Cc1cc(C(=O)C=Cc2cccc(Cl)c2)cc(CN(C)C)c1O.Cl MOL34784
-Cl.O=C(C=Cc1ccccc1)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1 MOL34785
-O=C(C=Cc1ccc(C=CC(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1 MOL34786
-Nc1ncnc2oc(-c3cccs3)nc12 MOL34787
-CCc1nc(N)c2nc(-c3cccs3)oc2n1 MOL34788
-Nc1nc(-c2ccccc2)nc2oc(-c3cccs3)nc12 MOL34789
-N#Cc1ccc(-c2nc3c(N)ncnc3o2)cc1 MOL34790
-CCc1nc(N)c2nc(-c3ccc(C#N)cc3)oc2n1 MOL34791
-N#Cc1ccc(-c2nc3c(N)nc(-c4ccccc4)nc3o2)cc1 MOL34792
-C=C1CC2C(C)C(=O)CCC2(C)C2=C1C1CCC(C(C)CCC(=C)C(C)C(=O)O)C1(C)CC2=O MOL34793
-C=C(CCC(C)C1CCC2C3=C(C(=O)CC21C)C1(C)CCC(=O)C(C)C1CC3=O)C(C)C(=O)O MOL34794
-C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(=O)CCCCCCC)CC1O MOL34795
-C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(=O)CCCCCCC)CC1=O MOL34796
-C=C1CC2OC3C4C(CC(C)C(OC(C)=O)C24)C(C)COC3(C)C(OC(C)=O)CC1O MOL34797
-O=C1C=CC(=O)C(CNc2ccc(C(=O)OC34CC5CC(CC(C5)C3)C4)cc2)=C1 MOL34798
-COC(=O)c1ccc(CCc2cc(O)ccc2O)cc1 MOL34799
-Cc1cc(S(=O)(=O)n2cc[nH]c2=O)c(S)cc1Cl MOL34800
-Cc1ccc(NC(=O)c2cc(S(=O)(=O)n3cc[nH]c3=O)c(S)cc2Cl)cc1 MOL34801
-O=C(Nc1ccccc1)c1cc(S(=O)(=O)n2cc[nH]c2=O)c(S)cc1Cl MOL34802
-CSc1cc(Cl)c(C)cc1S(=O)(=O)n1cc[nH]c1=O MOL34803
-CCCCNC(=O)c1cc(S(=O)(=O)n2cc[nH]c2=O)c(SC)cc1Cl MOL34804
-CSc1cc(Cl)c(C(=O)Nc2ccccc2)cc1S(=O)(=O)n1cc[nH]c1=O MOL34805
-Cc1cc2c(cc1Cl)Sc1nccn1S2(=O)=O MOL34806
-N#Cc1cc2c(cc1Cl)Sc1nccn1S2(=O)=O MOL34807
-CCCCNC(=O)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O MOL34808
-O=C(Nc1ccccc1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O MOL34809
-Cc1ccc(NC(=O)c2cc3c(cc2Cl)Sc2nccn2S3(=O)=O)cc1 MOL34810
-Cc1cc(S(=O)(=O)N2CCNC2=O)c(S)cc1Cl MOL34811
-O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCNC2=O)c(S)cc1Cl MOL34812
-Cc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(S)cc1Cl MOL34813
-Cc1ccc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]c2c1 MOL34814
-Cc1cc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)[nH]c2cc1C MOL34815
-CCCc1cc(=O)oc2c(C=O)c(O)cc(O)c12 MOL34816
-[N-]=[N+]=Nc1cc(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1 MOL34817
-[N-]=[N+]=NC1=C(C(=O)c2ccccc2)C(=O)c2cccc3cccc1c23 MOL34818
-[N-]=[N+]=Nc1cc(O)nc2ccccc12 MOL34819
-Cc1nc2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2o1 MOL34820
-O=C1C(=CNc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 MOL34821
-Cn1c(=O)c2c(-c3ccccc3)onc2n(C)c1=O MOL34822
-CN1C(=O)C(=CNc2ccccc2[N+](=O)[O-])C(=O)N(C)C1=O MOL34823
-O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c(=O)n1-c1ccccc1 MOL34824
-CCCCC1(N=[N+]=[N-])C(=O)C2C=CC=C3c4ccccc4N(C1=O)C32 MOL34825
-Cn1c(N=[N+]=[N-])cc(=O)n(C)c1=O MOL34826
-Cn1c(N=[N+]=[N-])c([N+](=O)[O-])c(=O)n(C)c1=O MOL34827
-Cc1nc2c(=O)n(C)c(=O)n(C)c2o1 MOL34828
-O=c1c2nc(-c3ccccc3)oc2n(-c2ccccc2)c(=O)n1-c1ccccc1 MOL34829
-Oc1nc2ccccc2c2oc(-c3ccccc3)nc12 MOL34830
-O=c1c2c(-c3ccccc3)onc2n(-c2ccccc2)c(=O)n1-c1ccccc1 MOL34831
-Cn1c(=O)[c-]2c(no[n+]2=O)n(C)c1=O MOL34832
-CN1C(=O)C(=CNc2ccccc2Cl)C(=O)N(C)C1=O MOL34833
-O=C1C(=CNc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 MOL34834
-Cn1c(=O)c([N+](=O)[O-])c(N=[N+]=[N-])c2ccccc21 MOL34835
-Cn1c(=O)c2c(no[n+]2[O-])c2ccccc21 MOL34836
-O=c1c2c(no[n+]2[O-])c2ccccc2n1-c1ccccc1 MOL34837
-CN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O MOL34838
-[N-]=[N+]=NC1=C(N=[N+]=[N-])c2cccc3cccc(c23)C1=O MOL34839
-Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O MOL34840
-Cn1c(=O)c2nc(-c3ccccc3)oc2n(C)c1=O MOL34841
-CC(=O)C1=C(N=[N+]=[N-])c2cccc3cccc(c23)C1=O MOL34842
-CC(=O)c1c(N=[N+]=[N-])c2cccc3c2n(c1=O)CCC3 MOL34843
-Cc1nc2c(O)nc3ccc(Cl)cc3c2o1 MOL34844
-Oc1nc2ccc(Cl)cc2c2oc(-c3ccccc3)nc12 MOL34845
-COC(=O)c1ccc(NCC2=CC(=O)c3ccccc3C2=O)cc1 MOL34846
-CN(C)CC(=O)N1CC(COS(C)(=O)=O)c2ccc(O)cc21 MOL34847
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC MOL34848
-C[N+](C)(C)c1ccc2c(c1)N(S(C)(=O)=O)CC2CCl.[Cl-] MOL34849
-COC(=O)C=C1N=C(N(C)N=Cc2ccccc2)NC1=O MOL34850
-CC=CC1C2C(=O)C3(Cl)C(C=CC)C3C(=O)C12Cl MOL34851
-O=C1C2C(c3ccccc3)C2(Cl)C(=O)C2C(c3ccccc3)C12Cl MOL34852
-COC(=O)c1sc2c(Cl)c(Cl)sc2c1Cl MOL34853
-Cl.O=C(O)C(CCCC1C(=O)OC(c2ccccc2)C(c2ccccc2)N1C(=O)OCc1ccccc1)NC(c1ccccc1)C(O)c1ccccc1 MOL34854
-O=C1C(Br)=C(C2=CC(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)C(=O)C(Br)=C1C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 MOL34855
-CCC(=NO)c1ccc(Br)s1 MOL34856
-CCON=C(CC)c1ccc(Br)s1 MOL34857
-C1CCC2(CC1)OCC1OC(OC3OC4COC5(CCCCC5)OC4C4OC5(CCCCC5)OC34)C3OC4(CCCCC4)OC3C1O2 MOL34858
-CCSc1sc(=Nc2ccc(N=c3sc(C)c(SC)s3)cc2)sc1-c1ccc(C)cc1 MOL34859
-CSC1=C(C)SC(=Cc2ccc(C=C3SC(C)=C(SC)S3)cc2)S1 MOL34860
-COC(=O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C(=O)OC)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.COC(=O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C(=O)OC)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL34861
-N=C1N(S(=O)(=O)c2ccccc2)C(Cc2ccccc2)C(c2ccccc2)C1(c1ccccc1)c1ccccc1 MOL34862
-N#CC(c1ccccc1)(c1ccccc1)C(c1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1 MOL34863
-O=C(Cn1nc(Br)c(Br)c1Br)c1ccccc1 MOL34864
-CC1=Nn2c(nc3sc4c(c3c2=O)CCCC4)SC1 MOL34865
-O=c1c2c3c(sc2nc2n1NC=NN2)CCCC3 MOL34866
-Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccnc2cc(C(F)(F)F)ccc12 MOL34867
-Cc1cc(-n2nnc(C(=O)O)c2-c2ccccc2)c2ccc(Cl)cc2n1 MOL34868
-CCC1(CC)CC(=NNS(=O)(=O)c2ccc(C)cc2)C1 MOL34869
-CCN(CC)CCOC(=O)c1nc(O)nc(O)c1N MOL34870
-CCCCCCOC(=O)c1nc(O)nc(O)c1N MOL34871
-Nc1c(O)nc(O)nc1C(=O)OCc1ccccc1 MOL34872
-CC(=O)Nc1c(O)nc(O)nc1C(=O)O MOL34873
-CCCCCCOC(=O)c1[nH]c(=O)n(CCCCCC)c(=O)c1N MOL34874
-Nc1c(S)nc(O)nc1C(=O)O MOL34875
-CCCCCCOC(=O)c1[nH]c(=O)n(CCCCCC)c(=O)c1NC(=O)CNc1ccc2c(=O)c3ccccc3[nH]c2c1 MOL34876
-C#CC(O)Cc1ccc(OC)c2occc12 MOL34877
-Cc1ccc(S(=O)c2sccc2C=O)cc1 MOL34878
-COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)CCCC3=O)cc1 MOL34879
-O=C1CC(c2ccco2)C2(C(=O)CCCC2=O)C(c2ccco2)C1 MOL34880
-O=C1CC(c2ccco2)C2(C(=O)NC(=O)NC2=O)C(c2ccco2)C1 MOL34881
-Nc1ccc2nc3n(c2c1)C(c1c(F)cccc1F)SC3 MOL34882
-Nc1ccc2c(c1)nc1n2C(c2c(F)cccc2F)SC1 MOL34883
-N=C1NCC(CN2CCOCC2)O1 MOL34884
-N=C1NCC(CN2CCCC2)O1 MOL34885
-Cc1cn2c(C)csc2c1P(=O)(OC(C)C)OC(C)C MOL34886
-Cc1csc2c(P(=O)(OC(C)C)OC(C)C)c(-c3ccccc3)cn12 MOL34887
-Clc1cc(OCC23CC4CC(CC(C4)C2)C3)nc(OCC23CC4CC(CC(C4)C2)C3)n1 MOL34888
-Oc1cc(CNC2CC3CCC2C3)nc(O)n1 MOL34889
-Oc1cc(CNC2CCCC2)nc(O)n1 MOL34890
-O=C(Cn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 MOL34891
-O=C(Nn1cc(F)c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2 MOL34892
-Clc1cc(OC23CC4CC(CC(C4)C2)C3)nc(Cl)n1 MOL34893
-Clc1cc(OC2C3CC4CC(C3)CC2C4)nc(Cl)n1 MOL34894
-Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl MOL34895
-Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1.Cl MOL34896
-O=S(=O)(Nc1ccccc1)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)c3ccc2[nH]3)cc1 MOL34897
-COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NC(Cc4ccccc4)C(=O)OC)cc3)c3ccc2[nH]3)cc1 MOL34898
-CN(Cc1c2ccccc2cc2ccccc12)S(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)N(C)Cc4c5ccccc5cc5ccccc45)cc3)c3ccc2[nH]3)cc1 MOL34899
-CCOS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)OCC)cc3)c3ccc2[nH]3)cc1 MOL34900
-COC(=O)CNS(=O)(=O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)NCC(=O)OC)cc3)c3ccc2[nH]3)cc1 MOL34901
-CC1(C)C2CC1C(Cc1ccc(CC3c4cc(-c5ccccn5)ncc4C4CC3C4(C)C)cc1)c1cc(-c3ccccn3)ncc12 MOL34902
-CC1(C)C2CC1C(Cc1cccc(CC3c4cc(-c5ccccn5)ncc4C4CC3C4(C)C)c1)c1cc(-c3ccccn3)ncc12 MOL34903
-CC1(C)C2CC1C(Cc1ccccc1CC1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12 MOL34904
-COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21.[Cl-] MOL34905
-C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)cc6)C(C)(C)C5CCC43C)C12 MOL34906
-C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(C(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)C5CCC43C)C12 MOL34907
-CCc1n[nH]c(=O)n1NC(=O)CCCC(=O)O MOL34908
-CCc1n[nH]c(=O)n1N1C(=O)C2CC=CCC2C1=O MOL34909
-O=C1C2CC=CCC2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O MOL34910
-O=C1C2CC=CCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O MOL34911
-O=C1C2CCCCC2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O MOL34912
-O=C1C2CCCCC2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL34913
-O=C1C2CCCCC2C(=O)N1n1c(-c2ccccc2)n[nH]c1=O MOL34914
-CCc1n[nH]c(=O)n1CCCCCCCCn1c(CC)n[nH]c1=O MOL34915
-CCc1n[nH]c(=O)n1CCCCCCCCCCCCn1c(CC)n[nH]c1=O MOL34916
-O=c1[nH]nc(-c2ccccc2)n1-n1cnnc1 MOL34917
-CNn1c(-c2ccc(C)cc2)n[nH]c1=O MOL34918
-CCOC(=O)Nn1cnnc1C MOL34919
-CCOC(=O)Nn1cnnc1Cc1ccccc1 MOL34920
-CCOC(=O)Nn1c(C)nnc1-c1ccccc1 MOL34921
-CC1=CC(=O)N(n2c(C)n[nH]c2=O)C1=O MOL34922
-CC1=CC(=O)N(n2c(Cc3ccccc3)n[nH]c2=O)C1=O MOL34923
-CC1=CC(=O)N(n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)C1=O MOL34924
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1O MOL34925
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1ccccc1Cl MOL34926
-O=c1[nH]nc(Cc2ccccc2)n1N=Cc1c(O)ccc2ccccc12 MOL34927
-CCNc1ccc(-c2ccccc2)nc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1 MOL34928
-COC(=O)c1ccc(NCc2cc(O)c3ccccc3c2O)cc1 MOL34929
-c1ccc2c(c1)CC1COc3ccccc3C1O2 MOL34930
-COc1ccc2c(c1)C1Oc3ccccc3CC1CO2 MOL34931
-COc1ccc2c(c1)OCC1Cc3ccccc3OC21 MOL34932
-COc1cccc2c1OCC1Cc3ccccc3OC21 MOL34933
-COc1cccc2c1OC1c3ccccc3OCC1C2 MOL34934
-COc1ccc2c(c1)OCC1Cc3cccc(OC)c3OC21 MOL34935
-COc1ccc2c(c1)CC1COc3cc(OC)ccc3C1O2 MOL34936
-CC(C)Oc1ccc2c(c1)OCC1Cc3ccccc3OC21 MOL34937
-Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 MOL34938
-O=C(CN1CCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 MOL34939
-O=C(CN1CCCCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 MOL34940
-O=C(CN1CCOCC1)Nc1ccc2c(c1)C1Oc3ccccc3CC1CO2 MOL34941
-COc1ccc2c(c1)OCC1Cc3cc4c(cc3OC21)OCO4 MOL34942
-OC12COc3ccccc3C1Oc1ccccc1C2 MOL34943
-COc1cccc2c1OC1c3ccccc3OCC1(O)C2 MOL34944
-COc1ccc2c(c1)OCC1(O)Cc3ccccc3OC21 MOL34945
-COc1ccc2c(c1)C1Oc3ccccc3CC1(O)CO2 MOL34946
-COc1ccc2c(c1)CC1(O)COc3cc(OC)ccc3C1O2 MOL34947
-c1ccc2c(c1)CC1=C(O2)c2ccccc2OC1 MOL34948
-COc1ccc2c(c1)OCC1=C2Oc2ccccc2C1 MOL34949
-COc1ccc2c(c1)CC1=C(O2)c2ccc(OC)cc2OC1 MOL34950
-Brc1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1 MOL34951
-O=[N+]([O-])c1ccc2c(c1)C1=C(CO2)Cc2ccccc2O1 MOL34952
-O=c1c2c(oc3ccccc13)-c1ccccc1OC2 MOL34953
-COc1ccc2c(c1)-c1oc3ccccc3c(=O)c1CO2 MOL34954
-COc1ccc2c(c1)OCc1c-2oc2ccccc2c1=O MOL34955
-CCCCNC(=S)Nc1nc(C(=O)NNS(=O)(=O)c2ccccc2)cs1 MOL34956
-CCCCNC(=S)Nc1nc(C(=O)NNC(=O)c2ccccc2)cs1 MOL34957
-O=C(NNS(=O)(=O)c1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 MOL34958
-O=C(NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1)c1ccccc1 MOL34959
-CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCC)cs1 MOL34960
-CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NC2CCCCC2)cs1 MOL34961
-CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCc2ccccc2)cs1 MOL34962
-CCCCNC(=S)Nc1nc(C(=O)NNC(=S)Nc2ccccc2)cs1 MOL34963
-CCNC(=S)NNC(=O)c1csc(NC(=S)NC2CCCCC2)n1 MOL34964
-O=C(NNC(=S)NC1CCCCC1)c1csc(NC(=S)NC2CCCCC2)n1 MOL34965
-O=C(NNC(=S)NCc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 MOL34966
-O=C(NNC(=S)Nc1ccccc1)c1csc(NC(=S)NC2CCCCC2)n1 MOL34967
-CC(C)(C)OC(=O)C1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21 MOL34968
-COC12CCCN1c1ccn(Cc3ccccc3)c(=O)c1C2=O MOL34969
-O=C(C=CC(=O)N1CCCC1)N1CCCC1 MOL34970
-CC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(C)=O)c(C(=O)O)c2)cc1C(=O)O.[NaH] MOL34971
-CCCC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)CCC)c(C(=O)O)c2)cc1C(=O)O.[NaH] MOL34972
-CCC1(CC=C(C)C)Oc2ccccc2-n2cccc2C1=O MOL34973
-CC(=O)Oc1cc2c(cc1OC(C)=O)C1CCC3(C)C(OC(C)=O)CCC3C1CC2 MOL34974
-CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=NO)CC3C1CCC2O MOL34975
-CC12CCC3c4cc(OCC(F)(F)F)c(O)cc4C(=O)CC3C1CCC2O MOL34976
-CC(=O)Oc1cc2c(cc1OCC(F)(F)F)C1CCC3(C)C(OC(C)=O)CCC3C1CC2=O MOL34977
-Oc1nc(Nc2cccc(Cl)c2)nc2[nH]cnc12 MOL34978
-Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2[nH]cnc12 MOL34979
-Oc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1 MOL34980
-OCCCCCNc1nc(O)c2nc[nH]c2n1 MOL34981
-Clc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl MOL34982
-CCCCc1ccc(Nc2nc(O)c3ncn(COCCBr)c3n2)cc1 MOL34983
-CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc21 MOL34984
-Cc1ccc(Nc2nc(O)c3cc[nH]c3n2)cc1 MOL34985
-Cc1ccc(Nc2cc(O)nc(S)n2)cc1.[NaH] MOL34986
-CCCCc1ccc(Nc2nc(Cl)c3c(ncn3COCCOC(C)=O)n2)cc1 MOL34987
-CCCCc1ccc(Nc2nc(S)c3ncn(COCCO)c3n2)cc1 MOL34988
-CCCCc1ccc(Nc2nc(Cl)c3ncn(COCCOC(C)=O)c3n2)cc1 MOL34989
-CCCCc1ccc(Nc2ncc3ncn(COCCO)c3n2)cc1 MOL34990
-CCCCc1ccc(Nc2nc(O)c3ncn(COCCO)c3n2)cc1 MOL34991
-CCCCc1ccc(Nc2nc(N)c3ncn(COCCO)c3n2)cc1 MOL34992
-CCCCc1ccc(Nc2ncc3nc[nH]c3n2)cc1 MOL34993
-CCCCc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1 MOL34994
-Cc1ccc(Nc2nc(O)nc(O)n2)cc1N=[N+]=[N-] MOL34995
-[N-]=[N+]=NCc1cccc(Nc2cc(O)nc(O)n2)c1 MOL34996
-[N-]=[N+]=Nc1ccc(CNc2cc(O)nc(O)n2)cc1 MOL34997
-Cn1c(N)c(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O MOL34998
-Nc1nc(Cl)cc(N=Nc2ccccc2)n1 MOL34999
-CC1Oc2cc(O)c3ccc(=O)oc3c2C(=O)C1C MOL35000
-CCCc1cc(=O)oc2c3c(cc(OC(C)CC)c12)OC(C)C(C)C3O MOL35001
-CC(C)C(OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1)C(C)C MOL35002
-CNC(C#N)c1ccc(OC)cc1 MOL35003
-N#CC(N)c1ccc(OCCCCCCCCCCOc2ccc(C(N)C#N)cc2)cc1 MOL35004
-N#CC(NCCc1ccccc1)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)NCCc3ccccc3)cc2)cc1 MOL35005
-N#CC(NCCc1ccccc1)c1ccc(C(C#N)NCCc2ccccc2)cc1 MOL35006
-CCCNC(C#N)c1ccc(C(C#N)NCCC)cc1 MOL35007
-N#CC(Nc1ccccc1)c1ccc(C(C#N)Nc2ccccc2)cc1 MOL35008
-CC(C#N)NCc1ccc(C(C)NC(C)C#N)cc1 MOL35009
-CC(C#N)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(NC(C)C#N)cc4)cc3)cc2)cc1 MOL35010
-CCC(C#N)NCc1ccc(CNC(C#N)CC)cc1 MOL35011
-CCC(C#N)NCc1cccc(CNC(C#N)CC)c1 MOL35012
-N#CC(NCc1cccc(CNC(C#N)c2ccccc2)c1)c1ccccc1 MOL35013
-COc1ccc(C(C#N)NCCCCCCNC(C#N)c2ccc(OC)cc2)cc1 MOL35014
-N#CC(c1ccc(O)cc1)N1CCN(C(C#N)c2ccc(O)cc2)CC1 MOL35015
-N#CC1N(C(=O)c2ccc(F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 MOL35016
-N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 MOL35017
-CC(=O)N(CCc1ccccc1)C(C#N)c1ccccc1 MOL35018
-CC(C#N)N(CCc1ccccc1)C(=O)c1ccccc1 MOL35019
-N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 MOL35020
-CCCCCCN(C(=O)Oc1ccccc1)C(C#N)c1ccccc1 MOL35021
-CC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 MOL35022
-CC(=O)N(CCc1ccccc1)C(C)(C#N)c1ccccc1 MOL35023
-CCC(C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 MOL35024
-CCC1(c2ccccc2)C(=O)N=C(c2ccccc2)N1CCc1ccccc1 MOL35025
-CC1=NC(=O)C(C)(c2ccccc2)N1CCc1ccccc1 MOL35026
-N#CC(c1ccccc1)N(CCCCCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1 MOL35027
-N#CC(c1ccccc1)N(CCOCCOCCN(C(=O)c1ccccc1)C(C#N)c1ccccc1)C(=O)c1ccccc1 MOL35028
-N#CC(c1ccccc1)N(CCOCCOCCN(C(=O)c1cccc2ccccc12)C(C#N)c1ccccc1)C(=O)c1cccc2ccccc12 MOL35029
-CCC(C#N)N(Cc1ccc(CN(C(=O)c2ccccc2)C(C#N)CC)cc1)C(=O)c1ccccc1 MOL35030
-CCC(C#N)N(Cc1cccc(CN(C(C)=O)C(C#N)CC)c1)C(C)=O MOL35031
-CCCN(C(=O)c1ccccc1)C(C#N)c1ccc(C(C#N)N(CCC)C(=O)c2ccccc2)cc1 MOL35032
-CC(=O)N(CCc1ccccc1)C(C#N)c1ccc(OCCCCCCCCCCOc2ccc(C(C#N)N(CCc3ccccc3)C(C)=O)cc2)cc1 MOL35033
-N#CC(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccc(C(=O)N(CCc2ccccc2)C(C#N)c2ccccc2)cc1 MOL35034
-CCC(C#N)NC(=O)NC(C#N)CC MOL35035
-C=CCN1C(N)=C(C#N)C(C#N)(C#N)C1CCC MOL35036
-N#CC1=C(N)N(c2ccccc2)C(c2ccco2)C1(C#N)C#N MOL35037
-N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N MOL35038
-Cc1ccccc1N1C(N)=C(C#N)C(C#N)(C#N)C1c1ccccc1 MOL35039
-Cc1ccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2ccccc2)cc1 MOL35040
-COc1ccc(N2C(N)=C(C#N)C(C#N)(C#N)C2c2cccc([N+](=O)[O-])c2)cc1 MOL35041
-CCC=NN1C(N)=C(C#N)C(C#N)(C#N)C1CC MOL35042
-CC(C)C=NN1C(N)=C(C#N)C(C#N)(C#N)C1C(C)C MOL35043
-N#CC1=C(N)N(N=Cc2ccccc2)C(c2ccccc2)C1(C#N)C#N MOL35044
-N#CC1=C(N)N(N=Cc2ccco2)C(c2ccco2)C1(C#N)C#N MOL35045
-C=CCn1c(N)c(C#N)c(C#N)c1CCC MOL35046
-CC(C)Cc1c(C#N)c(C#N)c(N)n1Cc1ccccc1 MOL35047
-C=CCn1c(N)c(C#N)c(C#N)c1-c1ccccc1 MOL35048
-N#Cc1c(C#N)c(-c2ccccc2)n(Cc2ccccc2)c1N MOL35049
-N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccccc2)c1N MOL35050
-COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccccc2)cc1 MOL35051
-COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2cccc([N+](=O)[O-])c2)cc1 MOL35052
-N#Cc1c(C#N)c(-c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)c1N MOL35053
-N#Cc1c(C#N)c(-c2ccco2)n(-c2ccccc2)c1N MOL35054
-COc1ccc(-n2c(N)c(C#N)c(C#N)c2-c2ccco2)cc1 MOL35055
-CC=Nn1c(C)c(C#N)c(C#N)c1N MOL35056
-CC(C)C=Nn1c(N)c(C#N)c(C#N)c1C(C)C MOL35057
-N#Cc1c(C#N)c(-c2ccccc2)n(N=Cc2ccccc2)c1N MOL35058
-N#Cc1c(C#N)c(-c2ccco2)n(N=Cc2ccco2)c1N MOL35059
-CC1C(C#N)(C#N)C(C#N)=C(N)C1(C)[N+](=O)[O-] MOL35060
-CC1C(C#N)(C#N)C(C#N)=C(N)C1(Cl)[N+](=O)[O-] MOL35061
-CC(=O)C1(C)CC(C#N)(C#N)C(C#N)=C1N MOL35062
-CCCC1C(C#N)(C#N)C(C#N)=C(N)C1(C)C(C)=O MOL35063
-CC1CC(N)=C(C#N)C1(C#N)C#N MOL35064
-CC1(C)CC2(C)OC(=N)C1(C#N)C2(C#N)C#N MOL35065
-CCOC(=O)C1C(C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N MOL35066
-CCOC(=O)C1C(C(C)C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N MOL35067
-CCOC(=O)C1C(c2ccco2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N MOL35068
-CCOC(=O)C1C(c2ccccc2)C2(C#N)C(=N)OC1(C)C2(C#N)C#N MOL35069
-N#CC12CC(C=O)=C(N)C1(C#N)CC(C=O)=C2N MOL35070
-CC1=NN(C(=O)CC(=O)Nc2ccccc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35071
-CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35072
-CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35073
-CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35074
-CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35075
-CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35076
-CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)C1N=Nc1ccc(C(=O)O)cc1 MOL35077
-COc1ccccc1NC(=O)CC(=O)N1N=C(C)C(N=Nc2ccc(C(=O)O)cc2)C1=O MOL35078
-COc1cccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(C(=O)O)cc3)C2=O)c1 MOL35079
-COc1ccc(NC(=O)CC(=O)N2N=C(C)C(N=Nc3ccc(C(=O)O)cc3)C2=O)cc1 MOL35080
-CC1Oc2c3c(c4ccc(=O)oc4c2C(=O)C1C)OC(C)(C)C=C3 MOL35081
-CC=C(C)C(=O)c1c(O)cc(O)c2ccc(=O)oc12 MOL35082
-CC1CC(NN(C)C)C2(C(N)=O)C(=N)NC(=O)C12C#N MOL35083
-CC1CC(=O)N(N(C)C)C(C#N)(C#N)C1(C#N)C#N MOL35084
-COC1(OC)NC(=N)C2(C#N)C(C)CC(=O)N(N(C)C)C12C#N MOL35085
-CC1=C2NCN(C)N=C2C(C#N)(C#N)C1(C#N)C#N MOL35086
-COC1(OC)NC(=N)C2(C#N)C(C)=C3NCN(C)N=C3C12C#N MOL35087
-CCCCN1C(=N)C2(C#N)C(CCC)C(CC)C1C2(C#N)C#N MOL35088
-CC1CC(=O)N(N(C)C)C2(C#N)C(=O)NC(=N)C12C#N MOL35089
-CC1=C(C#N)C(C#N)(C#N)C(NN(C)C)C1.Cl MOL35090
-CC1CC(NN(C)C)=C(C#N)C1(C#N)C#N MOL35091
-CN(C)N=C1CC(c2ccccc2)C(C#N)(C#N)C1(C#N)C#N MOL35092
-CCCC1C(CC)C(NC)C(C#N)(C#N)C1(C#N)C#N MOL35093
-CN(C)N1C(=C(C#N)C#N)C(c2ccccc2)CC1C#N MOL35094
-CC1CC(=NN(C)C)C(C#N)(C#N)C1(C#N)C#N MOL35095
-COC1(OC)NC(=N)C2(C#N)C(=NN(C)C)CC(C)C12C#N MOL35096
-CC1CC2OC(=N)C1(C#N)C2(C#N)C#N MOL35097
-CC(C)C1OC(N)=C(C#N)C1(C#N)C#N MOL35098
-N#CC1=C(N)OC(c2cccc([N+](=O)[O-])c2)C1(C#N)C#N MOL35099
-N#CC1=C(N)OC(c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N MOL35100
-CC(=O)CC1(C)OC(N)=C(C#N)C1(C#N)C#N MOL35101
-N#Cc1c(N)oc(-c2cccc([N+](=O)[O-])c2)c1C#N MOL35102
-N#Cc1c(N)oc(-c2ccc([N+](=O)[O-])cc2)c1C#N MOL35103
-CC12CC(C#N)(C#N)C(C#N)(CO1)C(=N)O2 MOL35104
-CCC1OC2(C)CC(C#N)(C#N)C1(C#N)C(=N)O2 MOL35105
-CC1C2(C)OCC(C#N)(C(=N)O2)C1(C#N)C#N MOL35106
-CC1C2(C)OC(=N)C(C#N)(C(C)O2)C1(C#N)C#N MOL35107
-CC(C)C1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2C MOL35108
-CC1C2(C)OC(=N)C(C#N)(C(c3ccco3)O2)C1(C#N)C#N MOL35109
-CC1C2(C)OC(=N)C(C#N)(C(c3ccccc3)O2)C1(C#N)C#N MOL35110
-CC1C2(C)OC(=N)C(C#N)(C(c3cccc([N+](=O)[O-])c3)O2)C1(C#N)C#N MOL35111
-N#CC12COC3(CCCCC3C1(C#N)C#N)OC2=N MOL35112
-CC1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 MOL35113
-CC(C)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 MOL35114
-N#CC1(C#N)C2CCCCC23OC(=N)C1(C#N)C(c1ccco1)O3 MOL35115
-N#CC1(C#N)C2CCCCC23OC(=N)C1(C#N)C(c1ccccc1)O3 MOL35116
-N#Cc1c(O)nc2c(c1C#N)CCCC2 MOL35117
-O=C(NC1c2ccsc2C(=NO)C1O)C(F)(F)F MOL35118
-CC(C)(C)OC(=O)NCC(=O)NC1c2ccsc2C(=NO)C1O MOL35119
-CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NC1c2ccsc2C(=NO)C1O MOL35120
-NCC(=O)NC1c2ccsc2C(=NO)C1O.O=C(O)C(F)(F)F MOL35121
-NC(Cc1ccccc1)C(=O)NC1c2ccsc2C(=NO)C1O.O=C(O)C(F)(F)F MOL35122
-CC(C)CC(N[C-](O)[B+][N+](C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC1c2ccsc2C(=NO)C1O MOL35123
-CC(C)(C)OC(=O)NCC(=O)NC1CC(=NO)c2sccc21 MOL35124
-CON=C1CC(NC(=O)CNC(=O)OC(C)(C)C)c2ccsc21 MOL35125
-CON=C1CC(NC(=O)C(F)(F)F)c2ccsc21 MOL35126
-CON=C1c2sccc2C(NC(=O)C(F)(F)F)C1O MOL35127
-CON=C1c2sccc2C(NC(=O)CNC(=O)OC(C)(C)C)C1O MOL35128
-CON=C1c2sccc2C(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C1O MOL35129
-Cc1cc(N(CCC#N)CCC#N)ccc1C=NNC(=O)c1cc(Cl)ccc1O MOL35130
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccccc1)=NNC(=O)c1cc(Cl)ccc1O MOL35131
-Cc1ccc(N=NC(=NNC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 MOL35132
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(Cl)cc1)=NNC(=O)c1cc(Cl)ccc1O MOL35133
-COc1cccc(N=NC(=NNC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1 MOL35134
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Cl)ccc1O MOL35135
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C(=O)O)cc1)=NNC(=O)c1cc(Cl)ccc1O MOL35136
-COc1ccc(N=NC(=NNC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 MOL35137
-Cc1ccc(N=NC(=NNC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 MOL35138
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Cl)ccc1C(=O)c1ccccc1 MOL35139
-Cc1cc(N(CCC#N)CCC#N)ccc1C=NNC(=O)c1ccccc1 MOL35140
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccccc1)=NNC(=O)c1ccccc1 MOL35141
-Cc1ccc(N=NC(=NNC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 MOL35142
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(Cl)cc1)=NNC(=O)c1ccccc1 MOL35143
-COc1ccc(N=NC(=NNC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 MOL35144
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1ccccc1 MOL35145
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C(=O)O)cc1)=NNC(=O)c1ccccc1 MOL35146
-CC(=O)OCc1cc(=O)n2c([nH]c3ccccc32)c1C#N MOL35147
-Cc1cc(C)n2c(nc3ccccc32)c1C#N MOL35148
-CCOC(=O)c1c(C)cc(=O)n2c1[nH]c1ccccc12 MOL35149
-Cc1cc2[nH]c3c(C#N)c4c(c(=O)n3c2cc1C)CCCC4 MOL35150
-CCn1c2ccccc2n2c(=O)c3c(c(C#N)c12)CCCC3 MOL35151
-Cc1cc2c(cc1C)N1C(Cl)=C3CCCCC3=C(C#N)C1N2 MOL35152
-N#Cc1c2c(c(N3CCOCC3)n3c1nc1ccccc13)CCCC2 MOL35153
-Cc1ccc(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCCC3)cc1 MOL35154
-N#Cc1c2c(c(Nc3ccc(Cl)cc3)n3c1nc1ccccc13)CCCC2 MOL35155
-N#Cc1c2c(c(Nc3ccc(F)cc3)n3c1nc1ccccc13)CCCC2 MOL35156
-OCCO[P+]1(OCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-] MOL35157
-OCCOCCO[P+]1(OCCOCCO)n2c3ccc2C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=c2ccc(n21)=C(c1ccccc1)C1=NC(=C3c2ccccc2)C=C1.[Cl-] MOL35158
-CCCCCN1CCN(c2ncccn2)CC1.Cl MOL35159
-O=C1c2[nH]c3ccc(Br)cc3c2CCN1Cc1ccc(Cl)cc1 MOL35160
-NC(=O)SCC(=O)Nc1ccc2cccc3c2c1CC3 MOL35161
-O=C(O)CSCC(=O)Nc1ccc2cccc3c2c1CC3 MOL35162
-Clc1ccc(C(OCn2ccnc2)c2nc3ccccc3[nH]2)c(Cl)c1 MOL35163
-Cc1nc2ccccc2n1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl MOL35164
-c1ccc2c3c(ccc2c1)CSCc1ccc2ccccc2c1-3 MOL35165
-CN(C)Cc1cc(C(=O)C=Cc2ccc(C=CC(=O)c3cc(CN(C)C)c(O)c(CN(C)C)c3)cc2)cc(CN(C)C)c1O.Cl MOL35166
-CCN1CCC(O)(c2ccc(Oc3ccccc3)cc2)C(C(=O)c2ccc(Oc3ccccc3)cc2)C1.Cl MOL35167
-CCN(CC)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1.Cl MOL35168
-COc1ccc2c(c1)C1c3cc(OC)c(OC)cc3CCN1CCC2 MOL35169
-CCS(=O)(=O)CCn1c(=O)c2c(ncn2C)n(C)c1=O MOL35170
-COc1ccc(C2N(c3ccc(F)cc3)C(=O)N3C(c4ccc(OC)cc4)N(c4ccc(F)cc4)C(=O)N23)cc1 MOL35171
-COc1ccc(C2N(c3ccc(F)c([N+](=O)[O-])c3)C(=O)N3C(c4ccc(OC)cc4)N(c4ccc(F)c([N+](=O)[O-])c4)C(=O)N23)cc1 MOL35172
-S=C(S)N1CCN(c2ccccc2)CC1.[NaH] MOL35173
-S=C(S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.[NaH] MOL35174
-S=C(S)N1CCN(c2cccc(Cl)c2)CC1.[NaH] MOL35175
-CCOC(=O)COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1 MOL35176
-COc1ccc(C(=O)C=Cc2ccc(OCC(=O)O)cc2)cc1 MOL35177
-COc1cc(C(=O)C=Cc2ccc(OCCSCCCCCCCCCCSCCOc3ccc(C=CC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC MOL35178
-Nc1nc(O)c(C=O)c(NCCOCP(=O)(O)O)n1 MOL35179
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)C(C)C)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)C(C)C)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL35180
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OC(=O)C(C)(C)C)c(C(=O)O)c5)c5cc(Cl)c(OC(=O)C(C)(C)C)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL35181
-CC1=CCC(C)=Nc2nc3ccccc3n21 MOL35182
-CCC(=O)c1cc(C(=O)C(=S)SC)cc(C(=O)C(=S)SC)c1 MOL35183
-O=C1N=C(NN=Cc2ccccc2)C(c2ccccc2)O1 MOL35184
-O=C1N=C(NN=Cc2ccccc2)C2(CCCCC2)O1 MOL35185
-CC(O)(C(=O)N(O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL35186
-O=C(N(O)c1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 MOL35187
-Cc1ccc(S(=O)(=O)N2CCN(CCN(C)CCN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)CC2)cc1 MOL35188
-Cc1ccc(S(=O)(=O)N2CCN3CCN(CCN(C)CCN4CCN(CC4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN(S(=O)(=O)c4ccc(C)cc4)CCN4CCN(CCN(C)CCN5CCN(CC5)CCN(S(=O)(=O)c5ccc(C)cc5)CCN(S(=O)(=O)c5ccc(C)cc5)CCN(S(=O)(=O)c5ccc(C)cc5)CC2)CC4)CC3)cc1 MOL35189
-O=C1C(S(=O)(=O)c2ccccc2)=C(CS(=O)(=O)c2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 MOL35190
-Cn1ncc(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1=O MOL35191
-CCCCn1c(C)c2c(c1C)C(=O)N(CCN1CCN(c3ccccc3Cl)CC1)C2=O MOL35192
-Cc1c2c(c(C)n1-c1ccccc1)C(=O)N(CCCCN1CCN(c3ccccc3)CC1)C2=O MOL35193
-CCOC(=O)C=CC1OC(C)(C)OC1C(O)C1COC(C)(C)O1 MOL35194
-N=c1ccn(C2CCC(CO)O2)c(=S)[nH]1 MOL35195
-CS(=O)(=O)N1CC(CCl)c2ccc([N+](=O)[O-])cc21 MOL35196
-C[N+](C)(CCNC(=O)c1cccc2cc3ccccc3nc12)Cc1ccc([N+](=O)[O-])cc1.[Br-] MOL35197
-CC(C)CCC1(O)OC2CC3C4CCC5CC(=O)C=CC5(C)C4CCC3(C)C2C1C MOL35198
-CC(C)CCC1(O)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4CCC3(C)C2C1C MOL35199
-CC1(C)CC(O)C2=C(O1)C(=O)c1ncccc1C2=O MOL35200
-Cc1ccnc2c1C(=O)C1=C(OC(C)(C)CC1O)C2=O MOL35201
-CC12CCC(=O)OC1CCCCO2 MOL35202
-CCOC(=O)c1nc2cc(Cl)ccc2nc1O MOL35203
-CCOC(=O)c1nc2ccccc2n(CC)c1=O MOL35204
-O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1O MOL35205
-O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1O MOL35206
-O=C(O)c1nc2cc(Cl)ccc2nc1O MOL35207
-O=C(O)c1nc2ccc(Cl)cc2nc1O MOL35208
-Cc1ccc2nc(C(=O)O)c(O)nc2c1 MOL35209
-CCOC(=O)c1nc2cc(F)cc(F)c2nc1O MOL35210
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1O MOL35211
-COCn1cnc2c(=O)n(-c3ccc(C)cc3)c(=S)n(-c3ccc(C)cc3)c21 MOL35212
-O=c1c2ncn(CCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL35213
-O=c1c2ncn(COCCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL35214
-O=c1c2ncn(C3CCCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL35215
-Cc1ccccc1-n1c(=O)c2ncn(C3CCCO3)c2n(-c2ccccc2C)c1=S MOL35216
-COCn1cnc2c(=O)nc(SC)n(-c3ccccc3)c21 MOL35217
-O=C(CCc1ccc(O)cc1)NCCc1ccc(O)cc1 MOL35218
-O=C(CCc1cccc(O)c1)NCCc1ccc(O)cc1 MOL35219
-O=C(CCc1ccc(O)cc1)NCCc1cccc(OCc2ccccc2)c1 MOL35220
-O=C(CCc1ccc(O)cc1)NCCc1cccc(O)c1 MOL35221
-O=C(CCc1cccc(O)c1)NCCc1cccc(OCc2ccccc2)c1 MOL35222
-O=C(CCc1cccc(O)c1)NCCc1cccc(O)c1 MOL35223
-CCC1(N)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 MOL35224
-CCOP(=O)(OCC)C(F)=Cc1ccccc1 MOL35225
-CCOP(=O)(OCC)C(F)=Cc1ccc(F)cc1 MOL35226
-CC=C(F)P(=O)(OCC)OCC MOL35227
-CCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL35228
-CCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL35229
-CCOC(=O)C1=C(N)Oc2cc(O)cc(O)c2C1c1ccccc1 MOL35230
-N#CC1=C(N)Oc2cc(O)cc(O)c2C1c1ccccc1 MOL35231
-Cc1oc2cc(O)cc(O)c2c(=O)c1C MOL35232
-COc1c2c(cc3oc(C)c(C)c(=O)c13)OC(C)(C)C=C2 MOL35233
-COc1cc2c(c3oc(C)c(C)c(=O)c13)C=CC(C)(C)O2 MOL35234
-COc1cc2c(c3c1C(=O)C(C)C(C)O3)C=CC(C)(C)O2 MOL35235
-CC1Oc2c3c(cc(O)c2C(=O)C1C)OC(C)(C)CC3 MOL35236
-CC1Oc2c3c(cc(O)c2C(=O)C1C)OC(C)(C)CC3 MOL35237
-CCCCC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)CCCC)c(C(=O)O)c2)cc1C(=O)O.[NaH] MOL35238
-CC1SC(c2c(F)cccc2F)n2c1nc1ccccc12 MOL35239
-CC(C)C(C)C=CC(C)C1CC2C3=CC=C4CC(OC5OCC(O)C6OC(=O)C(=O)OC56)CCC4(C)C3CCC2(C)C1 MOL35240
-Cc1ccc(C2(c3ccc(F)cc3)OC(=O)c3ccccc32)c(O)c1 MOL35241
-Cc1cc(O)ccc1C1(c2ccc(F)cc2)OC(=O)c2ccccc21 MOL35242
-CCC1(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc2C1=O MOL35243
-C=C(C)C1CCC2=CC(OC2=O)C(C(=C)C)c2cc(C(=O)O)c(o2)C1 MOL35244
-C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2C=C(C(=O)O2)C(O)C1O MOL35245
-C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2C=C(C(=O)O2)C2OC12 MOL35246
-C=C1C(OC(=O)C(C)C)C(OC(C)=O)C(OC(C)=O)C(C)(C)C2OC2C(C)C(=O)C2(OC(C)=O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(C)=O MOL35247
-CC1=CC2(O)OC3(CC2=C(C)C)C(C)CCC13 MOL35248
-COc1c(C)c(-c2c(C)c(OC)c3c(c2OC)OCO3)c(OC)c2c1OCO2 MOL35249
-COCC1C(=O)NCC(=O)N2N=CCCC2C(=O)N(O)C(C)C(=O)OC(C(C)C)C(NC(=O)C(C)(O)C2(O)CCC(CC(C)C)C(C)O2)C(=O)N2NCCCC2C(=O)N1O MOL35250
-CC1=C(CO)C(=O)OC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CCC23C)C1 MOL35251
-CC1OC(n2cnc3c(N)nc(Cl)nc32)C(C)(O)C1O MOL35252
-CC(C)(C)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)N(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1 MOL35253
-O=C(O)CCCCCNC(=O)CCC(CN(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1)N(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1 MOL35254
-CN1C(=O)c2ccccc2C2(O)c3ccccc3-c3ccccc3C12O MOL35255
-CN1C(=O)c2ccccc2C(O)(c2ccccc2)C1(O)c1ccccc1 MOL35256
-Cc1ccc(C2(O)c3ccccc3C(=O)N(C)C2(O)c2ccc(C)cc2)cc1 MOL35257
-COc1ccc(C2(O)c3ccccc3C(=O)N(C)C2(O)c2ccc(OC)cc2)cc1 MOL35258
-C[n+]1cccc2ccc(OC(=O)c3ccccc3)cc21.[I-] MOL35259
-Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pd-2]4([n+]5ccc(-c6c7ccc(n7)c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7ccc(n7)c(-c7ccc(C)cc7)c7ccc6[nH]7)cc5)[PH](c5ccccc5)(c5ccccc5)CCC[PH]4(c4ccccc4)c4ccccc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F MOL35260
-Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pt-2]4([n+]5ccc(-c6c7ccc(n7)c(-c7ccc(C)cc7)c7ccc([nH]7)c(-c7ccc(C)cc7)c7ccc(n7)c(-c7ccc(C)cc7)c7ccc6[nH]7)cc5)[PH](c5ccccc5)(c5ccccc5)CCC[PH]4(c4ccccc4)c4ccccc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F MOL35261
-Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pt-2]([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)[n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F MOL35262
-C1=CC2=[N+]3C1=C(c1ccccc1)C1=CC=C4C(c5cc[n+]([Pt-2]([n+]6ccc(C7=C8C=CC9=[N+]8[Zn-2]8%10[N+]%11=C(C=CC%11=C(c%11ccccc%11)C%11=CC=C7[NH+]%118)C(c7ccccc7)=C7C=CC(=C9c8ccccc8)[NH+]7%10)cc6)([n+]6ccc(C7=C8C=CC9=C(c%10ccccc%10)C%10=[N+]%11C(=C(c%12ccccc%12)C%12=CC=C%13C(c%14ccccc%14)=C%14C=CC7=[N+]%14[Zn-2]%11([NH+]%12%13)[NH+]98)C=C%10)cc6)[n+]6ccc(C7=C8C=CC9=C(c%10ccccc%10)C%10=[N+]%11C(=C(c%12ccccc%12)C%12=CC=C%13C(c%14ccccc%14)=C%14C=CC7=[N+]%14[Zn-2]%11([NH+]%12%13)[NH+]98)C=C%10)cc6)cc5)=C5C=CC6=[N+]5[Zn-2]3([NH+]14)[NH+]1C(=C2c2ccccc2)C=CC1=C6c1ccccc1.O=S(=O)([O-])C(F)(F)F MOL35263
-Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3cc[n+]([Pd-2]([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)([n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)[n+]4ccc(-c5c6ccc(n6)c(-c6ccc(C)cc6)c6ccc([nH]6)c(-c6ccc(C)cc6)c6ccc(n6)c(-c6ccc(C)cc6)c6ccc5[nH]6)cc4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1.O=S(=O)([O-])C(F)(F)F MOL35264
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL35265
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)OC(C)C(C)C3O MOL35266
-Nc1ccc2cc3[nH]c4cc(N)ccc4c3nc2c1 MOL35267
-COc1ccc(N=C(Nc2ccc(OC)cc2)C(=Nc2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1 MOL35268
-CCC1C2OC(=O)C(C)C2C2(O)CC(C3CC(C)C(=O)O3)N3CCCCC12C3=O MOL35269
-CCCCC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1CCN42 MOL35270
-Clc1nncc2sc(-c3ccccc3)nc12 MOL35271
-CN1CCN(C2=C(Cl)C3(OCCS3)C(F)(F)C2(F)F)CC1 MOL35272
-COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccc3ncn(C)c(=O)c23)n1 MOL35273
-CCCCCC=C(c1cc(Br)c(OC)c(Br)c1)c1cc(Br)c(OC)c(Br)c1 MOL35274
-CC(=O)C1CCC2C(CCC3(C)C(O)CCC23)C1C(=O)O MOL35275
-CC(=O)OC1CCC2C3CCC(C(C)=O)C(C(=O)O)C3CCC12C MOL35276
-COCC(=O)C1CCC2C(CCC3(C)C(OC(C)=O)CCC23)C1C(=O)OC MOL35277
-CCCCOCC(=O)C1CCC2C(CCC3(C)C(O)CCC23)C1C(=O)O MOL35278
-CC(=O)OC1CCC2C3CCC4C(C)=NNC(=O)C4C3CCC12C MOL35279
-CCOc1cc2c(c(OCC)c1O)CCC1C2CCC2(C)C(O)CCC12 MOL35280
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N(C)C)cc43)[nH]c2c(OC)c1OC MOL35281
-CCN1C(=O)C(=CC=CC=C2N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=S MOL35282
-CN1C(=CC=CC=CC=C2C(=O)c3ccccc3C2=O)C(C)(C)c2ccccc21 MOL35283
-Clc1ccc(CNc2nc(Cl)c3nc[nH]c3n2)cc1Cl MOL35284
-Oc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2[nH]cnc12 MOL35285
-COc1cc(Nc2cc(Cl)cc(Cl)c2)nc(N)n1 MOL35286
-CCCCNc1nc(O)c2nc[nH]c2n1 MOL35287
-OCC1OC(n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)CC1O MOL35288
-Cc1ccc(OCC2OC(n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)CC2Oc2ccc(C)cc2)cc1 MOL35289
-CCCCc1ccc(Nc2nc(OC)c3ncn(C4CC(O)C(CO)O4)c3n2)cc1 MOL35290
-Cc1ccc(OCC2OC(n3cnc4c(Br)nc(Br)nc43)CC2Oc2ccc(C)cc2)cc1 MOL35291
-Nc1nc(Cl)cc(Nc2cc(Cl)cc(Cl)c2)n1 MOL35292
-OCC1OC(n2cnc3c(Cl)nc(Nc4ccccc4)nc32)CC1O MOL35293
-Oc1nc(NCc2ccc(Cl)cc2)nc2[nH]cnc12 MOL35294
-Oc1nc(NCc2cccnc2)nc2[nH]cnc12 MOL35295
-Nc1nc(N)c(NC(=O)CCCO)c(O)n1 MOL35296
-Oc1nc(NCc2ccncc2)nc2[nH]cnc12 MOL35297
-Oc1nc(Nc2cc(Cl)cc(Cl)c2)nc2[nH]cnc12 MOL35298
-Oc1nc(Nc2cccc(C(F)(F)F)c2)nc2[nH]cnc12 MOL35299
-OCc1cccc(Nc2nc(O)c3nc[nH]c3n2)c1 MOL35300
-c1ccc2[nH]c(C3CCCCO3)nc2c1 MOL35301
-c1ccc2c(c1)ncn2C1CCCCO1 MOL35302
-Cl.Clc1cc2nc(C3CCCO3)[nH]c2cc1Cl MOL35303
-Clc1cc2ncn(C3CCCO3)c2cc1Cl MOL35304
-Cl.Clc1cc2nc(C3CCCCO3)[nH]c2cc1Cl MOL35305
-Clc1cc2ncn(C3CCCCO3)c2cc1Cl MOL35306
-ClC1(Cl)C2CCOC21n1cnc2ccccc21 MOL35307
-Cc1cc2ncn(C3CCCO3)c2cc1C MOL35308
-Cc1cc2ncn(C3CCCCO3)c2cc1C MOL35309
-CC1(c2nc3ccccc3[nH]2)CCC(C(=O)O)C(C)(C)O1 MOL35310
-CC1(c2nc3ccccc3[nH]2)CCC(C(N)=O)C(C)(C)O1 MOL35311
-CC1(c2nc3ccccc3[nH]2)CCC(C#N)C(C)(C)O1 MOL35312
-CC1(c2nc3ccccc3[nH]2)CCC(CO)C(C)(C)O1 MOL35313
-CC12CCC(C(=O)n3c1nc1ccccc13)C(C)(C)O2 MOL35314
-CC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(C(=O)O)C(C)(C)O1 MOL35315
-CC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(CO)C(C)(C)O1 MOL35316
-ClC(Cl)(Cl)C1CCOC1n1nnc2ccccc21 MOL35317
-Clc1cc2nnn(C3CCCO3)c2cc1Cl MOL35318
-Cc1cc2nnn(C3CCCO3)c2cc1C MOL35319
-c1ccc2nn(C3CCCO3)nc2c1 MOL35320
-ClC(Cl)(Cl)C1CCOC1n1nc2ccccc2n1 MOL35321
-Cc1cc2nn(C3CCCO3)nc2cc1C MOL35322
-Clc1c(Cl)c(Cl)c2c(nnn2C2CCCO2)c1Cl MOL35323
-Clc1c(Cl)c(Cl)c2nn(C3CCCO3)nc2c1Cl MOL35324
-c1ccc2c(c1)nnn2C1CCCCO1 MOL35325
-Clc1cc2nnn(C3CCCCO3)c2cc1Cl MOL35326
-Cc1cc2nnn(C3CCCCO3)c2cc1C MOL35327
-c1ccc2nn(C3CCCCO3)nc2c1 MOL35328
-Clc1cc2nn(C3CCCCO3)nc2cc1Cl MOL35329
-Cc1cc2nn(C3CCCCO3)nc2cc1C MOL35330
-Cn1nc2ccc([N+](=O)[O-])c[c-]2[n+]1=O MOL35331
-COc1ccc(C2=C(Cl)c3cc(OC)c(OC)cc3C2=O)cc1OC MOL35332
-O=C1NC(=O)c2ccccc2C1=Cc1ccc2c(c1)OCO2 MOL35333
-COc1ccc(-c2cc3ccccc3oc2=O)cc1OC MOL35334
-COc1ccc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1OC MOL35335
-C=CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 MOL35336
-COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 MOL35337
-O=C1Nc2cc([N+](=O)[O-])ccc2NC1=CC(=O)c1ccc([N+](=O)[O-])cc1 MOL35338
-NNc1n[nH]c(=S)n1N MOL35339
-O=C1Oc2ccccc2NC1=CC(=O)c1ccc([N+](=O)[O-])cc1 MOL35340
-Cc1ccc(C(=O)C=C2Nc3ccccc3NC2=O)c(C)c1 MOL35341
-O=C(NN=C(c1ccccc1)c1ccccc1)C(O)=CC(=O)c1ccc(Cl)cc1 MOL35342
-O=C(Cc1ccccc1)NN=C1C(=O)Nc2ccccc21 MOL35343
-Nc1ccccc1C(=O)NN=C1C(=O)Nc2ccccc21 MOL35344
-COC(=O)C=C1C(=O)N(C(C)=O)c2ccccc21 MOL35345
-CC(=O)N1C(=O)C(=CC(=O)c2ccc(Cl)cc2)c2ccccc21 MOL35346
-CC(=O)N1C(=O)C(=CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 MOL35347
-O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccccc1)c1ccccc1 MOL35348
-O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 MOL35349
-O=C1Oc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1 MOL35350
-Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1 MOL35351
-O=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccccc1 MOL35352
-O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL35353
-Cc1ccc(C(=O)C=C2Nc3ccccc3OC2=O)cc1 MOL35354
-c1ccc(-c2cc(-c3cc(-c4ccccc4)[nH]n3)[nH]n2)cc1 MOL35355
-Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)[nH]n2)cc1 MOL35356
-c1ccc(-c2cc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)nn2-c2ccccc2)cc1 MOL35357
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4=O)OC(C)C(C)C3O MOL35358
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4O)OC(C)C(C)C3O MOL35359
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4O)OC(C)C(C)C3O MOL35360
-CCOc1cc2c(cc1O)C(=NN)CC1C2CCC2(C)C(O)CCC12 MOL35361
-O=c1oc2cc(O)ccc2c(O)c1Cc1c(O)c2ccc(O)cc2oc1=O MOL35362
-O=c1oc2cc(O)ccc2c(O)c1C(c1ccc(C(c2c(O)c3ccc(O)cc3oc2=O)c2c(O)c3ccc(O)cc3oc2=O)cc1)c1c(O)c2ccc(O)cc2oc1=O MOL35363
-O=c1oc2cc(O)ccc2c(O)c1C(c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O MOL35364
-O=c1oc2ccccc2c(O)c1Cc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1 MOL35365
-O=c1oc2ccccc2c(O)c1C(c1ccccc1)c1c(O)c2ccccc2oc1=O MOL35366
-CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CC(Br)C2=O MOL35367
-CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2=O MOL35368
-COC(=O)C(Cc1ccccc1)NP(=O)(OCCC#N)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35369
-COC(=O)C(Cc1ccccc1)NP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35370
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(OCCC#N)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35371
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(OC)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35372
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35373
-COC(=O)C(Cc1ccccc1)NC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35374
-COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL35375
-COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1.N MOL35376
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1.N MOL35377
-Cn1cc[n+]([Pt-2]2([n+]3ccn(C)c3)NCCN2)c1.[Cl-] MOL35378
-Cn1cc[n+]([Pt-2]2([n+]3ccn(C)c3)[n+]3ccccc3-c3cccc[n+]32)c1.[O-][Cl+3]([O-])([O-])[O-] MOL35379
-Cn1cc[n+]([Pt-2]23[n+]4ccccc4-c4cccc([n+]42)-c2cccc[n+]23)c1.[O-][Cl+3]([O-])([O-])[O-] MOL35380
-Cn1cc[n+]([Pt-2]([n+]2ccn(C)c2)([n+]2ccn(C)c2)[n+]2ccn(C)c2)c1.[O-][Cl+3]([O-])([O-])[O-] MOL35381
-[Cl-].c1c[n+]([Pt-2]2([n+]3ccsc3)NCCN2)cs1 MOL35382
-N[Pt-2](N)([n+]1ccsc1)[n+]1ccsc1.O=[N+]([O-])[O-] MOL35383
-CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2C1C(=O)O MOL35384
-CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2C1C(=O)O MOL35385
-CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2C1C(=O)O MOL35386
-CC1(C)Oc2ccc3c(=O)cc(-c4ccc(F)cc4)oc3c2C1C(=O)O MOL35387
-CC1(C)Oc2ccc3c(=O)cc(-c4cccs4)oc3c2C1C(=O)O MOL35388
-COc1c(-c2ccc(F)cc2)oc2c(CC(=O)O)cccc2c1=O MOL35389
-COc1ccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2OC)cc1 MOL35390
-COc1c(-c2cccs2)oc2c(CC(=O)O)cccc2c1=O MOL35391
-COc1c(-c2ccccc2)oc2c(CP(=O)(OC)OC)cccc2c1=O MOL35392
-O=c1c(O)c(-c2ccccc2)oc2c(CP(=O)(O)O)cccc12 MOL35393
-CCCc1n[nH]c(=O)n1N1C(=O)C=CC1=O MOL35394
-O=C1C=CC(=O)N1n1c(-c2ccccc2)n[nH]c1=O MOL35395
-Cc1ccc(-c2n[nH]c(=O)n2N2C(=O)C=CC2=O)cc1 MOL35396
-CCc1n[nH]c(=O)n1NC(=O)C=CC(=O)O MOL35397
-O=C(O)C=CC(=O)Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL35398
-Cc1n[nH]c(=O)n1N1C(=O)CCCC1=O MOL35399
-O=C1CCCC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O MOL35400
-O=C(O)CCCC(=O)Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL35401
-O=C1C2CC=CCC2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL35402
-CCc1n[nH]c(=O)n1N1C(=O)C2CCCCC2C1=O MOL35403
-CC(=O)n1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O MOL35404
-CC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O MOL35405
-CCCC(=O)n1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O MOL35406
-O=C(c1ccccc1)n1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O MOL35407
-CCCCCC(=O)n1[nH]c(=O)n(-c2ccc(OC)cc2)c1=O MOL35408
-O=C(n1[nH]c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1=O)C(Cl)(Cl)Cl MOL35409
-CCCC(=O)n1[nH]c(=O)n(C(C)(C)C)c1=O MOL35410
-CCOC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O MOL35411
-CCC(=O)n1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(=O)CC MOL35412
-O=C(n1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl MOL35413
-COc1ccccc1C(=O)NO MOL35414
-CCC(=O)N1NC(=O)C(CC)(CC)C1=O MOL35415
-CCC1(CC)C(=O)NN(C(=O)c2ccccc2)C1=O MOL35416
-CCC1(CC)C(=O)NN(C(=O)c2ccc(Cl)cc2)C1=O MOL35417
-CCC(=O)N1C(=O)C(CC)(CC)C(=O)N1C(=O)CC MOL35418
-CCC1(CC)C(=O)N(C(=O)c2ccc(C)cc2)N(C(=O)c2ccc(C)cc2)C1=O MOL35419
-CCC1(CC)C(=O)N(C(=O)c2cc(OC)c(OC)c(OC)c2)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O MOL35420
-CCC1(CC)C(=O)N(C(=O)c2ccccc2)N(C(=O)c2ccc(Cl)cc2)C1=O MOL35421
-CCC1(CC)C(=O)N(C(=O)c2ccc(Cl)cc2)N(C(=O)c2ccccc2Cl)C1=O MOL35422
-COc1ccc(C(=O)NO)cc1 MOL35423
-O=C(NO)c1ccc([N+](=O)[O-])cc1 MOL35424
-O=C1CC2(CCC(O)(c3ccccc3)C(C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 MOL35425
-O=C1CC2(CCC(O)(c3ccc(Cl)cc3)C(C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 MOL35426
-O=C1CC2(CCC(O)(c3cccs3)C(C(=O)c3cccs3)C2)C(=O)c2ccccc2N1 MOL35427
-COc1ccc(C(=O)C2CC3(CCC2(O)c2ccc(OC)cc2)CC(=O)Nc2ccccc2C3=O)cc1 MOL35428
-O=C1CC2(CCC(O)(c3ccco3)C(C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 MOL35429
-COc1cc(C(=O)C2CC3(CCC2(O)c2cc(OC)c(OC)c(OC)c2)CC(=O)Nc2ccccc2C3=O)cc(OC)c1OC MOL35430
-Cc1ccc(C(=O)C2CC3(CCC2(O)c2ccc(C)cc2)CC(=O)Nc2ccccc2C3=O)cc1 MOL35431
-O=C1CC2(CCC(O)(c3ccc4ccccc4c3)C(C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 MOL35432
-O=C1CC2(CCC(O)(c3cccc4ccccc34)C(C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 MOL35433
-O=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1 MOL35434
-O=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1 MOL35435
-COc1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2NC(=O)C3)cc1 MOL35436
-O=C1Cc2c(-c3cccs3)cc(-c3ccccc3)nc2-c2ccccc2N1 MOL35437
-O=C1Cc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc2-c2ccccc2N1 MOL35438
-COc1ccc(-c2cc(-c3ccccc3)nc3c2CC(=O)Nc2ccccc2-3)cc1OC MOL35439
-S=C1Cc2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2-c2ccccc2N1 MOL35440
-S=C1Cc2c(-c3ccccc3)cc(-c3ccc(Cl)cc3)nc2-c2ccccc2N1 MOL35441
-COC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C(O)(c2cc(C(OC)(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c2cc(C(OC)(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c(C)cc2C)c(C)cc1C MOL35442
-COC(Cc1cc(C(O)(c2ccc(C(C)(C)C)cc2)c2cc(CC(OC)(c3cc(C(OC)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c(C)cc3C)c3cc(C(OC)(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c(C)cc3C)c(C)cc2C)c(C)cc1C)(c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C)c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C MOL35443
-Cc1ccc(C2=NOC(=O)C3CCCCC23)cc1 MOL35444
-CC1=C2C3=C(C)C(=O)C(C)(C)CCC3(C)C2(C)CCC(C)(C)C1=O MOL35445
-C1COCCOP2(N3CC3)=NP(N3CC3)(=NP(N3CC3)(N3CC3)=N2)OCCOCCO1 MOL35446
-CC(C)(C)[Si](C)(C)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O[Si](C)(C)C(C)(C)C MOL35447
-CC(C)(C)[Si](C)(C)OCCOCn1cc(F)c(=O)[nH]c1=O MOL35448
-Cc1cn(C2CC(N=[N+]=[N-])C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL35449
-CC1OC(n2cc(F)c(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL35450
-CN(C)CC1CN=C(NC(=O)Nc2ccccc2)O1 MOL35451
-CN(C)CC1CN(C(=O)Nc2ccccc2)C(=N)O1 MOL35452
-O=C1C2=C(CC3=C(C2)CS(=O)(=O)C3)C(=O)C2=C1CC1=C(C2)CS(=O)(=O)C1 MOL35453
-Cc1ccc(S(=O)(=O)n2ccc(-c3ccc4ccn(S(=O)(=O)c5ccc(C)cc5)c4c3)c2)cc1 MOL35454
-O=C(NO)NCCCl MOL35455
-O=C(NCCCl)N(O)C(=O)Nc1ccccc1 MOL35456
-CN(N)C(=O)NCCCl MOL35457
-Br.Cc1cn2cc(-c3cccs3)nc2s1 MOL35458
-C1=NCCNCCN=Cc2ccccc2OCc2cccc(n2)COc2ccccc21 MOL35459
-C1=Nc2ccc(cc2)N=Cc2ccccc2OCc2cccc(n2)COc2ccccc21 MOL35460
-C1=Nc2ccc(cc2)-c2ccc(cc2)N=Cc2ccccc2OCc2cccc(n2)COc2ccccc21 MOL35461
-COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=NCCNCCNCCN=C2 MOL35462
-COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=Nc1ccc(cc1)N=C2 MOL35463
-COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)C=Nc1ccc(cc1)-c1ccc(cc1)N=C2 MOL35464
-Cc1cccc(NC(=O)ON=C(Cl)C(C)C)c1 MOL35465
-Cc1ccccc1NC(=O)ON=C(Cl)C(C)C MOL35466
-CC(C)C(Cl)=NOC(=O)Nc1ccc(Cl)c(Cl)c1 MOL35467
-CC(C)C(Cl)=NOC(=O)Nc1ccc(F)c(Cl)c1 MOL35468
-CC(C)C(Cl)=NOC(=O)Nc1ccc(Br)cc1 MOL35469
-CCC(Cl)=NOC(=O)Nc1ccc(OC)c(C)c1 MOL35470
-CC(C)C(Cl)=NOC(=O)Nc1cccc(C(F)(F)F)c1 MOL35471
-CCCC(Cl)=NOC(=O)Nc1ccc(F)cc1 MOL35472
-COC(=O)c1ccc(NC(=O)ON=C(Cl)C(C)C)cc1 MOL35473
-CC(Cl)=NOC(=O)Nc1ccc(S(N)(=O)=O)c(C)c1 MOL35474
-CCCC(Cl)=NOC(=O)Nc1cccc(F)c1 MOL35475
-CCCC(Cl)=NOC(=O)Nc1ccccc1C(F)(F)F MOL35476
-CCC(Cl)=NOC(=O)Nc1ccc(OC)cc1 MOL35477
-CCC(Cl)=NOC(=O)Nc1ccc(F)cc1F MOL35478
-Cc1ccc(F)cc1NC(=O)ON=C(Cl)C(C)C MOL35479
-CCC(Cl)=NOC(=O)Nc1ccccc1OC(F)(F)F MOL35480
-CCC(Cl)=NOC(=O)NCc1ccc(F)cc1 MOL35481
-COc1ccc(Cl)cc1NC(=O)ON=C(Cl)C(C)C MOL35482
-COc1ccc(C(F)(F)F)cc1NC(=O)ON=C(Cl)C(C)C MOL35483
-CCCC(Cl)=NOC(=O)Nc1ccc(OC(F)(F)F)cc1 MOL35484
-CC(C)C(Cl)=NOC(=O)NNc1ccccc1 MOL35485
-Clc1ccc(C2NN=C3c4ccccc4OCC32)cc1 MOL35486
-Clc1ccc(C2C3COc4ccccc4C3=NN2c2ccccc2)cc1 MOL35487
-COc1ccc(C2C3COc4ccccc4C3=NN2c2ccccc2)cc1 MOL35488
-S=C1NC2=C(COc3ccccc32)C(c2ccc(Cl)cc2)N1 MOL35489
-NC1N=C(c2ccc(Cl)cc2)C2=C(N1)c1ccccc1CC2 MOL35490
-COc1cc(-c2nc(SC)nc3c2CCc2ccccc2-3)cc(OC)c1OC MOL35491
-CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)C2c2ccc(Cl)cc2)S1 MOL35492
-CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)C2c2cccc(Br)c2)S1 MOL35493
-COc1ccc(C2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc1 MOL35494
-CC(=O)C1=C(C)N2C(=NC3=C(CCc4ccccc43)C2c2ccc(F)cc2)S1 MOL35495
-COc1cc(C2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc(OC)c1OC MOL35496
-CCNc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] MOL35497
-CNc1ccccc1S(=O)(=O)c1ccccc1Cl MOL35498
-CNc1ccccc1S(=O)(=O)c1ccccc1Br MOL35499
-N#CC1=C(N2CCOCC2)CCC1 MOL35500
-CNC(=S)C(C#N)=C(N)N1CCN(C)CC1 MOL35501
-CCOC(=O)N1CCN(c2nc(C)n(-c3ccccc3)c(=S)c2C#N)CC1 MOL35502
-O=c1cc(N2CCNCC2)nc2ccccn12 MOL35503
-O=c1cc(N2CCOCC2)n2c(ccc3ccccc32)n1 MOL35504
-CCOC(=O)CC1C2(C=CC13OCC(C)(C)CO3)CO2 MOL35505
-COP(=O)(OC)C1=c2c(C)noc2=C2C=COC2C1=O MOL35506
-O=C1NCCN1N=Cc1c(Cl)n(-c2ccccc2)c2ccccc12 MOL35507
-Cn1cc(-c2ccc(CCOC3CCCCO3)cc2)c2c(C#N)cccc21 MOL35508
-COC(=O)C1(C#N)C(C)(C)N=C(c2ccccc2)C12CCCCC2 MOL35509
-COc1ccc(C2(C3c4cc(OC)c(OC)cc4CCN3C)SCCCS2)cc1O MOL35510
-Cc1ccc(S(=O)(=O)CNC(=O)C(O)(O)C(F)(F)F)cc1 MOL35511
-Cl.O=C(C=Cc1cc2ccccc2o1)N1CCN(c2ccccn2)CC1 MOL35512
-CCOC(=O)c1cnccc1CC1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 MOL35513
-O=c1c2cnccc2cc2c3ccccc3ccn12 MOL35514
-CC(=O)OC1=c2ccccc2=C(O)C2C1C=NN2C(C)=O MOL35515
-COC(=O)C1=C(N)C2=C(N)Oc3ccccc3C2CC1=C(C#N)C#N MOL35516
-CC1=C(C#N)C2C(=C(N)Oc3ccccc32)C(=N)N1 MOL35517
-CCOC(=O)CCNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCCC(=O)OCC)S2 MOL35518
-CCOC(=O)C1=NN(c2ccc(C)cc2)C2(c3ccccc3)C=C(c3ccccc3)N(C)CCN12 MOL35519
-CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)C2(C)CC3(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)N=C(C(=O)OCC)N3c3ccccc3N12 MOL35520
-COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cc(-c3cc4ccccc4oc3=O)n2)cc1 MOL35521
-COc1cc(-c2cc(-c3ccccc3)nc(-c3c(OC)ccc4c(C)cc(=O)oc34)c2)cc(OC)c1OC MOL35522
-Cc1ccc(O)c(C(c2cccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)c2)c2cc(C)ccc2O)c1 MOL35523
-Cc1ccc(O)c(C(c2ccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)cc2)c2cc(C)ccc2O)c1 MOL35524
-CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 MOL35525
-CC(=O)Oc1cc(C=C(C#N)C(=O)NCCCCNC(=O)C(C#N)=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O MOL35526
-CC(=O)Oc1cc(C=C(C#N)C(=O)NCCCCCNC(=O)C(C#N)=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1OC(C)=O MOL35527
-O=C(NCCCCCCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 MOL35528
-O=C(NC1CCC(CC2CCC(NC(=O)c3cc(O)c(O)c(O)c3)CC2)CC1)c1cc(O)c(O)c(O)c1 MOL35529
-O=C(NCCCCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 MOL35530
-CC(=O)OCC1=C(C)CC(C(COC(C)=O)C2CCC3C4CC5OC56CC=CC(=O)C6(C)C4CCC23C)OC1=O MOL35531
-C=CCCCCOC1C=CC(OC(C)=O)C(COC(C)=O)O1 MOL35532
-C=CCCCCCCCCCOC1C=CC(OC(C)=O)C(COC(C)=O)O1 MOL35533
-C=CCCCCOC1C=CC(O)C(CO)O1 MOL35534
-C=CCCCCCCCCCOC1C=CC(O)C(CO)O1 MOL35535
-COC(N)=C(C#N)N=Cc1cccnc1 MOL35536
-N#CC1(C#N)NC(c2cccnc2)C(C#N)(C#N)NC1c1cccnc1 MOL35537
-N#CC(C#N)N=Cc1ccncc1 MOL35538
-CC(=O)[O-].Cc1c2c(c(C)c3c[n+](C)ccc13)Oc1ccccc1O2 MOL35539
-Fc1cccc(F)c1C1SCc2nc3cc4ccccc4cc3n21 MOL35540
-O=C1C2=Cc3ccccc3OC2(O)Oc2ccccc21 MOL35541
-O=C1C2=Cc3ccccc3OC2(O)Oc2cc(O)ccc21 MOL35542
-O=C1C2=Cc3ccccc3OC2(O)Oc2ccc(O)cc21 MOL35543
-O=C1C2=Cc3ccccc3OC2(O)Oc2cc(O)cc(O)c21 MOL35544
-O=C1C2=Cc3ccccc3OC2(O)Oc2cc3ccccc3cc21 MOL35545
-CC1=CC=CC(C)(C)CC1(O[Si](C)(C)C)C(F)(F)F MOL35546
-CC(C)(C)N1C(=O)c2ccccc2C1(O)C(F)(F)F MOL35547
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1 MOL35548
-COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1 MOL35549
-O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(F)cc1 MOL35550
-O=C(O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(Cl)c(Cl)c1 MOL35551
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)cc1 MOL35552
-CCOC(=O)c1nc2ccccc2nc1NCc1ccc(Cl)cc1Cl MOL35553
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1 MOL35554
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(OC)c(OC)c1 MOL35555
-COc1cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL35556
-CCOc1cc2c(cc1O)C(=NOC)CC1C2CCC2(C)C(O)CCC12 MOL35557
-COC(=O)C1COC(C(C)(C)C)N1C(=O)N1C=CC(=O)CC1C MOL35558
-COC(=O)C1COC(C(C)(C)C)N1C(=O)N1C=CC(=O)CC1C MOL35559
-O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNC(=O)C(O)C(O)C(O)C(O)CO)ccc(NCCNC(=O)C(O)C(O)C(O)C(O)CO)c21 MOL35560
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(OC(=O)c1ccc(Br)cc1)C4OC(=O)c1ccc(Br)cc1)OC(C)C(C)C3OC(=O)c1ccc(Br)cc1 MOL35561
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(OC(=O)c1ccc(Br)cc1)C4OC(=O)c1ccc(Br)cc1)OC(C)C(C)C3OC(=O)c1ccc(Br)cc1 MOL35562
-CC(=O)OC1C(OCc2cc(=O)oc3c4c(c5c(c23)OC(C)(C)CC5)OC(C)C(C)C4O)OC(CO)C(O)C1O MOL35563
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4O)OC(C)C(C)C3O MOL35564
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C(O)C4O)OC(C)C(C)C3O MOL35565
-NNC(=O)CCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NN MOL35566
-Cc1ccc(S(=O)(=O)NC(CCC(=O)NN)C(=O)NN)cc1 MOL35567
-Cc1ccc(S(=O)(=O)NC(CCC(=O)NNc2ccccc2)C(=O)NNc2ccccc2)cc1 MOL35568
-NC(=O)NC(=O)CCC(NS(=O)(=O)c1ccccc1)C(=O)NC(N)=O MOL35569
-Cc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl MOL35570
-C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccc([N+](=O)[O-])cc1.[Cl-] MOL35571
-CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[O+]=C(C)[C-](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-] MOL35572
-O=C1[OH+][Co-4]23(NCC[N+]2(CCCl)CCCl)([OH+]1)[OH+]C(=O)[OH+]3.[K+] MOL35573
-O=C(NCCC(F)([N+](=O)[O-])[N+](=O)[O-])NCCC(F)([N+](=O)[O-])[N+](=O)[O-] MOL35574
-O=[N+]([O-])C(F)(CN(COCN(CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] MOL35575
-O=[N+]([O-])C(F)(CCNCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] MOL35576
-O=C(OCCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-] MOL35577
-O=[N+]([O-])C(F)(COCC(O)CO)[N+](=O)[O-] MOL35578
-O=C(Nc1cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)cc(C(=O)Nc2cccc(S(=O)(=O)O)c2)c1)c1cccc(C(=O)Nc2cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)cc(C(=O)Nc3cccc(S(=O)(=O)O)c3)c2)c1.[NaH] MOL35579
-N=C(Nc1ccc(O)cc1)[SH](=O)=O MOL35580
-N=C(Nc1ccc(O)cc1)S(=O)(=O)O MOL35581
-O=S(=O)(O)C(=Nc1cccc(Cc2ccccc2)c1)Nc1cccc(Cc2ccccc2)c1 MOL35582
-O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(Nc3ccnc4ccccc34)ccc(S(=O)(=O)O)c2c1.[NaH] MOL35583
-Cc1cc(Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c2ccccc2n1.[NaH] MOL35584
-O=S(=O)(O)c1ccc(Nc2ccnc3ccccc23)cc1 MOL35585
-O=S(=O)(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1 MOL35586
-Cc1cc(Nc2ccc(S(=O)(=O)O)cc2)c2ccccc2n1 MOL35587
-NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH] MOL35588
-NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH] MOL35589
-NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH] MOL35590
-NCC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12.[NaH] MOL35591
-O=S(=O)(O)c1cc(Nc2ccnc3ccccc23)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1.[NaH] MOL35592
-CCOC(=O)P(=O)(O)c1ccc(N(C)Cc2ccccc2)cc1.[NaH] MOL35593
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)ccc1C.[NaH] MOL35594
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)c1cccc(N)c1 MOL35595
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)(O)O)cc4)ccc3C)c2)c1.[NaH] MOL35596
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1N MOL35597
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)Nc1cc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)ccc1C MOL35598
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)c1cccc(N)c1 MOL35599
-Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(CP(=O)(O)O)cc4CP(=O)(O)O)ccc3C)c2)c1.[NaH] MOL35600
-NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(CCCCNC(=O)NCCCCC(NC(=O)C(N)Cc1ccc(S(=O)(=O)O)cc1)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O)C(=O)NC(Cc1ccc(S(=O)(=O)O)cc1)C(=O)O.[NaH] MOL35601
-COc1ccc(OC)c2c(Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc(C)nc12.[NaH] MOL35602
-COc1cc([N+](=O)[O-])c(OC)c2c(Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc(C)nc12.[NaH] MOL35603
-Cc1n[nH]c(=O)n1N=CCCC=Nn1c(C)n[nH]c1=O MOL35604
-O=c1[nH]nc(Cc2ccccc2)n1N=CCCC=Nn1c(Cc2ccccc2)n[nH]c1=O MOL35605
-Cc1ccc(Cc2n[nH]c(=O)n2N=CCCC=Nn2c(Cc3ccc(C)cc3)n[nH]c2=O)cc1 MOL35606
-O=c1[nH]nc(Cc2ccc(Cl)cc2)n1N=CCCC=Nn1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL35607
-CCC(=N)NNC(=O)OC(C)(C)C MOL35608
-CC(C)(C)OC(=O)NNC(=N)Cc1ccccc1 MOL35609
-CC(C)(C)OC(=O)NNC(=N)c1ccccc1 MOL35610
-CC1=CC(=O)N(n2c(-c3ccccc3)n[nH]c2=O)C1=O MOL35611
-CC(=CC(=O)Nn1c(Cc2ccccc2)n[nH]c1=O)C(=O)O MOL35612
-O=C1CCCC(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL35613
-CCC(O)C(C)C=C1SCCCS1 MOL35614
-CCCCCC(O)C(C)C=C1SCCCS1 MOL35615
-OC1(c2ccccc2)CSc2ncnn21 MOL35616
-O=[N+]([O-])c1ccc(-c2csc3nc(-c4ccccc4)nn23)cc1 MOL35617
-ONC1=Nc2ccccc2OCc2cc(Br)c(Br)cc2COc2ccccc2N=C1NO MOL35618
-N#CC(=Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)o1 MOL35619
-COc1ccc2nc(NC(=O)C(C#N)=Cc3ccccc3)sc2c1 MOL35620
-CSc1ccn(C2CC(F)C(CO)O2)c(=O)n1 MOL35621
-Nc1nc(O)c(N)c(NCCOCP(=O)(O)O)n1 MOL35622
-Cc1ccc2c(C=Cc3ccc(N(C)C)cc3)ccc(C(C)C)cc1-2 MOL35623
-O=C1c2ccccc2C(=O)C23OC12C(O)C1OC1C31Oc2cccc3cccc(c23)O1 MOL35624
-COC(=O)c1cnn2c1n[n+]([O-])c1ccccc12 MOL35625
-N#Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 MOL35626
-COC(=O)C(NC(=O)OC(C)(C)C)C1COC(C)(C)O1 MOL35627
-CCc1cn(C2CC(CO)C(CO)S2)c(=O)[nH]c1=O MOL35628
-CCc1cn(C2CC(CO)C(CO)S2)c(=O)[nH]c1=O MOL35629
-CC1(C)SC(CN)NC1C(=O)OC(c1ccccc1)c1ccccc1 MOL35630
-CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ccccc2)CC1 MOL35631
-CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ncccn2)CC1 MOL35632
-COc1ccc(-c2ncnc(-c3ccc(OC)c(OC)c3)n2)cc1OC MOL35633
-O=[N+]([O-])c1cccc(-c2ncnc(-c3cccc([N+](=O)[O-])c3)n2)c1 MOL35634
-Cc1ccc(S(=O)(=O)N2CCCCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3OCCOCCOc3c4cccc3Cc3cccc5c3OCCOCCOc3ccccc3CN(S(=O)(=O)c3ccc(C)cc3)CCCN(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc3OCCOCCOc3c(cccc3C4)Cc3cccc(c3OCCOCCOc3ccccc3C2)C5)cc1 MOL35635
-COc1cc(NC=O)c2c(c1)SCCC(=O)N2 MOL35636
-CCCCC1Sc2cc(OC)cc([N+](=O)[O-])c2NC1=O MOL35637
-CCCCC1Sc2cc(OC)cc(N)c2NC1=O MOL35638
-CCCCC1Sc2cc(OC)cc3c2N(CCN3)C1=O MOL35639
-CCCCC1Sc2cc(OC)cc3nnn(c23)C1=O MOL35640
-COc1cc(OC)c2c(O)c3c(cc2c1)CC(C)(C)CC3=O MOL35641
-CC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)CC(C)(C)CC3=O MOL35642
-OC1C(Cn2nnc(-c3ccccc3)c2-c2ccccc2)OCOC(Cn2nnc(-c3ccccc3)c2-c2ccccc2)C1O MOL35643
-CN1CCOC1(C)c1ccccc1 MOL35644
-CN1CCOC1(C)CO MOL35645
-COCC1OCCN1C MOL35646
-CN1CCOC1c1ccccc1O MOL35647
-CN1CCOC1(C)c1ccccc1O MOL35648
-COc1ccc(C2OCCN2C)cc1 MOL35649
-CN(N=O)C(=N)NC(=O)c1ccccc1 MOL35650
-CN1C(=O)C2C(=O)N(Cc3ccccc3)CC(=O)N2c2cccnc21 MOL35651
-CN1CC2CN(Cc3ccccc3)CCN2c2cccnc21 MOL35652
-Cc1nn(C2=NCCN2)c(O)c1C MOL35653
-Cc1nn(C2=NCCN2)c(O)c1Cc1ccccc1 MOL35654
-Cc1c(-c2ccccc2)nn(C2=NCCN2)c1O MOL35655
-Oc1c(Cc2ccccc2)c(-c2ccccc2)nn1C1=NCCN1 MOL35656
-CC1CC(=O)Nc2nc3ccccc3n21 MOL35657
-CC1Cn2c(nc3ccccc32)NC1=O MOL35658
-O=C1CC(c2ccccc2)n2c(nc3ccccc32)N1 MOL35659
-CC1CC(c2ccccc2)Nc2nc3ccccc3n21 MOL35660
-c1ccc(C2=Nc3nc4ccccc4n3C(c3ccccc3)C2)cc1 MOL35661
-CC1=Nc2nc3ccccc3n2C(C)(C)C1 MOL35662
-O=C1CCCn2c(nc3ccccc32)N1 MOL35663
-O=C1CCCNn2c(nc3ncccc3c2=O)N1 MOL35664
-CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1ccccc12 MOL35665
-CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1cc(Cl)c(Cl)cc12 MOL35666
-Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3cc(C=O)ccc3c21 MOL35667
-Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc2ccccc2)c2ccc3ccccc3c21 MOL35668
-COc1ccc2c(ccc3c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)n(C)c32)c1 MOL35669
-Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3ccccc3c21 MOL35670
-Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3cc(Cl)c(Cl)cc3c21 MOL35671
-Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc2ccccc2)c2ccc3cc(Cl)c(Cl)cc3c21 MOL35672
-CN1CC=C(C#CC(C)(C)O)CC1.O=C(O)C(=O)O MOL35673
-CC(=O)Nc1ccc(OC2=CCN(C)CC2)cc1 MOL35674
-CN1CCc2c([nH]c3ccccc23)C1 MOL35675
-CC(Cc1ccc2c(c1)OCO2)N(C)C(=O)C1=CCN(C)CC1 MOL35676
-CCCN(CCC)CCc1ccc(OC2=CCN(C)CC2)cc1.O=C(O)C(=O)O MOL35677
-CN1CC=C(c2cccn2C)CC1.O=C(O)C(=O)O MOL35678
-N#CC1(c2ccccc2)CCN(C2(c3ccccc3)CCCCC2)CC1 MOL35679
-C[N+]1([O-])CCC(O)(C2CC2)CC1 MOL35680
-CC1(c2ccccc2)CCN(C2CC2)CO1.Cl MOL35681
-CN1CCC(O)(C(C)(C)C)CC1.O=C(O)C(=O)O MOL35682
-CCOC(=O)C1CN(C2CC2)CCC1=O MOL35683
-CC1=CC(C)(C)C2OC3(O)CC4(C)C(c5ccoc5)OC5(C(C)C)CC4C4(C3)OC1(O)C2(O)C4O5 MOL35684
-CC(=O)OC12C3OC4(O)CC5(C)C(c6ccoc6)OC6(C(C)C)CC5C(C4)(OC1(O)C(C)=CC3(C)C)C2O6 MOL35685
-CC1(C)CCCC2(C)C1CCC1(CO1)C2C=CC(C=O)CC=O MOL35686
-ONC1=Nc2ccccc2C(=S)N2CSCC12 MOL35687
-CNC1=Nc2ccccc2C(=O)N2CSCC12 MOL35688
-CN(C)C1=Nc2ccccc2C(=S)N2CSCC12 MOL35689
-S=C1c2ccccc2N=C(NC2CCCC2)C2CSCN12 MOL35690
-O=C1c2ccccc2-n2nnnc2C2CSCN12 MOL35691
-CN(C)CCNC1=Nc2ccccc2C(=O)N2CSCC12 MOL35692
-CN(C)CCNC1=Nc2ccccc2C(=S)N2CSCC12 MOL35693
-NNC1=Nc2ccc(Cl)cc2C(=S)N2CSCC12 MOL35694
-S=C1c2cc(Cl)ccc2N=C(NC2CCCC2)C2CSCN12 MOL35695
-O=C1c2cc(Cl)ccc2N=C(NC2CCCC2)C2CSCN12 MOL35696
-CCOC(=O)CNC1=Nc2ccccc2C(=O)N2CSCC12.Cl MOL35697
-O=C1c2cc(Cl)ccc2-n2cnnc2C2CSCN12 MOL35698
-O=C1c2cc(Cl)ccc2-n2c(noc2=O)C2CSCN12 MOL35699
-O=C1c2cc(Cl)ccc2N=C(NCCCl)C2CSCN12 MOL35700
-ONC1=Nc2cc(Cl)ccc2C(=S)N2CSCC12 MOL35701
-O=c1onc2n1-c1cc(Cl)ccc1C(=S)N1CSCC21 MOL35702
-S=C1c2ccc(Cl)cc2-n2cnnc2C2CSCN12 MOL35703
-Cc1ccc2c(c1)C(=S)N1CSCC1c1nncn1-2 MOL35704
-O=c1onc2n1-c1ccc(Cl)cc1C(=S)N1CSCC21 MOL35705
-Cc1nnc2n1-c1ccccc1C(=S)N1CSCC21 MOL35706
-Cc1csc2c1-n1cccc1C2=O MOL35707
-O=C1c2scc(-c3ccccc3)c2-n2cccc21 MOL35708
-O=C1c2scc(-c3ccc(F)cc3)c2-n2cccc21 MOL35709
-O=C1c2scc(-c3ccc(Cl)cc3)c2-n2cccc21 MOL35710
-O=C1c2sc(-c3ccc(F)cc3)cc2-n2cccc21 MOL35711
-O=C1c2sc(-c3ccc(Cl)cc3)cc2-n2cccc21 MOL35712
-Cc1sc2c(c1C)C(=O)c1cccn1-2 MOL35713
-Cc1sc2c(c1C)C(=NO)c1cccn1-2 MOL35714
-C[N+]12C=CC=C1C(N1CCCC1)c1sc(-c3ccc(Cl)cc3)cc12.[I-] MOL35715
-C[N+]12C=CC=C1C(N1CCCC1)c1scc(-c3ccccc3)c12.[I-] MOL35716
-C[N+]12C=CC=C1C(N1CCCC1)c1scc(-c3ccc(F)cc3)c12.[I-] MOL35717
-C[N+]12C=CC=C1C(N1CCCC1)c1scc(-c3ccc(Br)cc3)c12.[I-] MOL35718
-COc1ccc(-c2csc3c2[N+]2(C)C=CC=C2C3N2CCCC2)cc1.[I-] MOL35719
-Brc1ccc(-c2csc3c2-n2cccc2C3=[N+]2CCCC2)cc1.O=P([O-])(Cl)Cl MOL35720
-C1CN2CN3CN4CCN5CN6CN1[Ni-4]524([SH+]c1nnc6s1)[SH+]c1nnc3s1 MOL35721
-C1CN2CN3CN4CCN5CN6CN1[Cu-5]524([SH+]c1nnc6s1)[SH+]c1nnc3s1 MOL35722
-O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 MOL35723
-Cl.Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1 MOL35724
-O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O MOL35725
-COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1 MOL35726
-Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1 MOL35727
-O=S(=O)(c1ccccc1)n1ccc2ccccc21 MOL35728
-Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 MOL35729
-Cc1cc(C)cc(N(C2C3CCC(C)(C2O)C3(C)C)S(=O)(=O)c2ccccc2)c1 MOL35730
-O=S(=O)(N(c1ccc(Cl)cn1)S(=O)(=O)C(F)(F)F)C(F)(F)F MOL35731
-O=[N+]([O-])c1ncn(S(=O)(=O)c2cccc3cccnc23)n1 MOL35732
-Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C MOL35733
-Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C MOL35734
-O=C1C(O)=C(c2ccccc2)S(=O)(=O)C1c1ccccc1 MOL35735
-O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-] MOL35736
-O=[N+]([O-])c1ccc2c3c(cccc13)S(=O)(=O)O2 MOL35737
-NS(=O)(=O)c1ccc(C(=O)O)cc1 MOL35738
-O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1 MOL35739
-O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1 MOL35740
-Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1.[NaH] MOL35741
-COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 MOL35742
-Cl.NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12 MOL35743
-CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O MOL35744
-CC1CN(S(=O)(=O)c2cccc3cnccc23)CCN1 MOL35745
-COC(=O)C1OS(=O)(=O)OC1C(=O)OC MOL35746
-COC(N)=C(C#N)N=Cc1ccco1 MOL35747
-COC(=O)c1cc(C#N)[nH]c1-c1ccsc1 MOL35748
-COC(=O)c1c(C#N)[nH]c(-c2ccsc2)c1C(=O)OC MOL35749
-COC(=O)C=CC(C#N)(C#N)N=Cc1ccsc1 MOL35750
-N#CC1(C#N)NC(c2ccsc2)C2C(=O)N(c3ccccc3)C(=O)C21 MOL35751
-COC(N)=C(C#N)N=Cc1ccc2ccccc2c1 MOL35752
-CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 MOL35753
-CC(C)(CC1=CC(=O)C=CC1=O)Cc1ccccc1 MOL35754
-CC(C)(C)CC1=CC(=O)C(C2=CC(=O)C(CC(C)(C)C)=CC2=O)=CC1=O MOL35755
-CCCOc1cc2c(c3oc(=O)cc(CCC)c13)C(=O)C(C)C(C)O2 MOL35756
-CCCc1cc(=O)oc2c3c(cc(OCC)c12)OC(C)C(C)C3=O MOL35757
-COC(=O)C(C)(Cc1ccccc1)NC(=O)C(C)N1C(c2ccccc2)COC1(C)C MOL35758
-COC(=O)C(C)N(C)C(=O)C(C)N1C(c2ccccc2)COC1(C)C MOL35759
-CCCCCCCCCCCCCC=CC1C(C(=O)OC)N1S(=O)c1ccc(C)cc1 MOL35760
-NC(=O)NNc1nc(-c2ccccc2)cs1 MOL35761
-Cn1c(N)c(C=NNC(=O)CC#N)c(=O)n(C)c1=O MOL35762
-Cc1nc2ccc(N=NN(C)C)cc2[nH]1 MOL35763
-CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1C MOL35764
-NC(=O)C1N=NSC1NC(=O)c1ccc([N+](=O)[O-])cc1 MOL35765
-Cc1ccc(-n2nnc(C#N)c2O)cc1 MOL35766
-Cc1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH] MOL35767
-O=C(NCc1ccccc1)c1nn[nH]c1O.[NaH] MOL35768
-CNC(=O)c1nnn(Cc2ccccc2)c1S MOL35769
-Cc1nc2c(cc1C(=O)NN)c(=O)n(C)c(=O)n2C MOL35770
-CCc1nc2ccc(N=NN(C)C)cc2[nH]1 MOL35771
-CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cl)cc1 MOL35772
-CCOC(=O)c1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH] MOL35773
-CCOC(=O)c1nnsc1NN=Cc1ccc([N+](=O)[O-])cc1 MOL35774
-CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC1CO1 MOL35775
-CN(C)N=Nc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(O)CO MOL35776
-N#CC(=NNc1[nH]cnc1C(N)=O)C(=O)Nc1ccccc1 MOL35777
-CN1C(=O)C(C=NNC(=O)c2cccnc2)C(N)N(C)C1=O MOL35778
-CC1CC(=O)Nc2ccc(N=NN(C)C)cc2N1C=O MOL35779
-Cc1ccccc1NC(=O)C(C#N)=NNc1[nH]cnc1C(N)=O MOL35780
-c1ccc(-c2cn3nc(N4CCOCC4)sc3n2)cc1 MOL35781
-Br.N=c1sc(N2CCOCC2)nn1CC(=O)c1ccccc1 MOL35782
-CC(=O)N1c2cc(N=NN(C)C)ccc2NC(=O)CC1C MOL35783
-O=C(NNc1nc(-c2ccccc2)cs1)Nc1ccccc1 MOL35784
-COc1ccc(C=NNC(=O)c2cnc3[nH]c(=O)n(C)c(=O)c3c2)cc1 MOL35785
-CC(C(O)Cc1ccccc1)N(C)N=Nc1ccc([N+](=O)[O-])cc1 MOL35786
-CC(C(O)c1ccccc1)N(C)N=Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C MOL35787
-Cc1nc2c(cc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C MOL35788
-Cc1ccc(N=NN(C)C(C)C(O)Cc2ccccc2)cc1 MOL35789
-CC(CCc1ccccc1)NCC(O)n1c(N=NN(C)C)nc2c1c(=O)n(C)c(=O)n2C MOL35790
-COc1cc(Cc2nccc3cc(OC)c(OC)cc23)c(N=NN(C)C)cc1OC MOL35791
-COc1cc(N=NN(C)C)c(C(C)c2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC.I.[I-] MOL35792
-CCOC(=O)c1nnsc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3snnc3C(=O)OCC)cc2)cc1 MOL35793
-NC(=O)c1nnn(Cc2ccccc2)c1N MOL35794
-Cc1cc(C)n(-c2nc(-c3ccccc3)cs2)n1 MOL35795
-Nc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1 MOL35796
-COc1ccc(-c2cc(-c3ccncc3)nc(N)c2-c2ccc(F)cc2)cc1 MOL35797
-COc1cccc2c1CCc1c(-c3ccc(F)cc3)cc(-c3ccc4ccccc4n3)nc1-2 MOL35798
-CN(C)CCc1ccnc2nc(-c3ccc4ccccc4c3)cn12.I MOL35799
-Br.CN(C)CCNc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 MOL35800
-CN(C)CCNc1ncnc2[nH]c(-c3ccc4ccccc4c3)nc12.Cl MOL35801
-Br.CN(C)CCNc1nc(-c2ccc3ccccc3c2)nc2[nH]cnc12 MOL35802
-Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 MOL35803
-Oc1ccc(-c2nc(-c3ccc4ccccc4n3)c(-c3ccc(F)cc3)[nH]2)cc1 MOL35804
-Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(F)cc3)[nH]2)cc1 MOL35805
-Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1O MOL35806
-c1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)n2)cc1 MOL35807
-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccncc3)c2)cc1 MOL35808
-COc1ccc(-c2cc(-c3ccccc3)nc(N)c2-c2ccc3ccccc3c2)cc1 MOL35809
-N#Cc1c(N)c(-c2ccc(Cl)cc2)c(F)c2ccccc12 MOL35810
-Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 MOL35811
-COc1ccc(Cc2c(N)[nH]c(=O)n(C)c2=O)cc1 MOL35812
-Nc1nc(O)nc(O)c1Cc1cccc(Cl)c1 MOL35813
-Cn1c(=O)cc(NCc2ccc(Cl)cc2)[nH]c1=O MOL35814
-CCCCc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)cc1 MOL35815
-Cc1ccc(Nc2nc(O)nc(O)c2C)cc1Cl MOL35816
-Oc1cc(N=Nc2ccc(Cl)cc2)nc(O)n1 MOL35817
-COc1ccc(Cc2c(N)nc(O)nc2O)cc1 MOL35818
-N#CSCc1cccc(Nc2cc(O)nc(O)n2)c1 MOL35819
-Cc1ccc(Nc2cc(O)nc(O)n2)cc1CS MOL35820
-COc1ccc(CNc2cc(=O)n(C)c(=O)[nH]2)cc1 MOL35821
-CC(=O)Nc1ccc(Nc2cc(=O)n(C)c(=O)[nH]2)cc1 MOL35822
-Cn1c(=O)cc(Nc2ccc(N)cc2)[nH]c1=O MOL35823
-Oc1cc(NCc2ccncc2)nc(O)n1 MOL35824
-Nc1nc(NCc2ccccc2)cc(NCc2ccccc2)n1 MOL35825
-Oc1cccc(Nc2cc(O)nc(O)n2)c1 MOL35826
-OCCCCCNc1cc(O)nc(O)n1 MOL35827
-O=[N+]([O-])c1ccc(N(CCCl)CCCl)s1 MOL35828
-CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1[N+](=O)[O-])[O+]=C(C)[C-]([N+](=O)[O-])C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-] MOL35829
-CCN(CC)C1=[S+][Co-4]23(Nc4ccc(N(CCCl)CCCl)cc4N2)([S+]=C(N(CC)CC)[SH+]3)[SH+]1.[O-][Cl+3]([O-])([O-])[O-] MOL35830
-CC1=[O+][Co-4]23(NCC[N+]2(CCCl)CCCl)([O+]=C(C)[C-]1CN(C)C)[O+]=C(C)[C-](CN(C)C)C(C)=[O+]3.[H+].[H+].[O-][Cl+3]([O-])([O-])[O-] MOL35831
-CS(=O)(=O)c1cc([N+](=O)[O-])c(C(N)=O)cc1N(CCCl)CCCl MOL35832
-CCN(CC)C1=[S+][Co-4]23(N=c4ccc(N(CCCl)CCCl)cc4=N2)([S+]=C(N(CC)CC)[SH+]3)[SH+]1.[O-][Cl+3]([O-])([O-])[O-] MOL35833
-CN(C)CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1c(O)ccc(O)c1C2=O.[Cl-] MOL35834
-COC(=O)C1=C2Nc3ccccc3CC23CCN2CCCC(C(C)OC(=O)C=C(C)C)(C1)C23 MOL35835
-COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5cccc(OC)c45)C3CC21 MOL35836
-CC=C1C2CC3C4=Nc5ccccc5C4(C2C(=O)OC)C2C(O)ON3C12 MOL35837
-CCOc1cc2c(cc1O)C(O)CC1C2CCC2(C)C(O)CCC12 MOL35838
-CC(=CC1CC(C2CCC34CC23C=CC2C3(C)CC=C5CC(c6ccccc6)OCC5(C)C3CC(O)C24C)C(=O)O1)CO MOL35839
-COc1c2c(cc3occ(-c4ccc(CC=C(C)C)cc4)c(=O)c13)OC(C)(C)C=C2 MOL35840
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL35841
-CC(=O)NC1C(OCC(=O)NCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(O)C(CO)OC1(C)OCc1ccccc1 MOL35842
-CC(=O)NC1C(OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCNC2c3ccccc3Nc3cccc([N+](=O)[O-])c32)C(N)=O)C(C)C)C(O)C(CO)OC1(C)OCc1ccccc1 MOL35843
-CC(=O)NC1C(OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1 MOL35844
-CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1 MOL35845
-CC(=O)NC1C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1 MOL35846
-CC(=O)NC1C(OCC(=O)N2CCCC2C(=O)NC(CCC(=O)NCCCCCNc2ccc([N+](=O)[O-])c3[nH]c4ccccc4c(=O)c23)C(N)=O)C(O)C(CO)OC1(C)OCc1ccccc1 MOL35847
-CC1SC(c2c(F)cccc2F)n2c1nc1ccccc12 MOL35848
-Clc1cccc(Cl)c1C1SCc2nc3cc4ccccc4cc3n21 MOL35849
-Fc1ccccc1C1SCc2nc3cc4ccccc4cc3n21 MOL35850
-O=S(c1ccc(Cl)cc1)c1ccccc1C1=NCCN1 MOL35851
-O=S(=O)(c1ccc(Cl)cc1)c1ccccc1C1=NCCN1 MOL35852
-CN(C)CCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1.Cl MOL35853
-CC(C)(CO)N1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1 MOL35854
-O=C1c2ccccc2C2(c3ccc(F)cc3)NCCN12 MOL35855
-Cc1ccc(S(=O)(=O)N2CCN3C(=O)c4ccccc4C32c2ccc(F)cc2)cc1 MOL35856
-Cc1ccc(C2(c3ccc(Cl)cc3)c3ccccc3C3=NCCN32)cc1 MOL35857
-O=c1[nH]oc2ccccc12 MOL35858
-O=c1c2cccc3cccc(c4n1CCN=4)c32 MOL35859
-O=c1c2cccc3cccc(c4n1CCCN=4)c32 MOL35860
-O=C1c2cccc3cccc(c23)C(=O)N1CCN1C(=O)c2cccc3cccc(c23)C1=O MOL35861
-O=C1c2cccc3cccc(c23)C(=O)N1CCCN1C(=O)c2cccc3cccc(c23)C1=O MOL35862
-CC1N=NC([S-])=NC1=O.[Cl-].[Pt] MOL35863
-[Cl-].[Pt].[S-]c1ncccn1 MOL35864
-Nc1cc(O)nc([S-])n1.[Cl-].[Pt] MOL35865
-CC1N=NC([S-])=NC1=O.[Pd+2] MOL35866
-[Pd+2].[S-]c1ncccn1 MOL35867
-Nc1cc(O)nc([S-])n1.[Pd+2] MOL35868
-NNS(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1 MOL35869
-CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN)cc2)C1=O MOL35870
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=Cc3ccccc3)cc2)N1 MOL35871
-CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=Cc3ccccc3)cc2)C1=O MOL35872
-COc1ccc(C=NNS(=O)(=O)c2ccc(C=C3NC(=O)NC3=O)cc2)cc1 MOL35873
-COc1ccc(C=NNS(=O)(=O)c2ccc(C=C3NC(=O)N(C)C3=O)cc2)cc1 MOL35874
-Cc1ccc(C=NNS(=O)(=O)c2ccc(C=C3NC(=O)NC3=O)cc2)cc1 MOL35875
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=Cc3ccc(Cl)cc3)cc2)N1 MOL35876
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)N1 MOL35877
-CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)C1=O MOL35878
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)N1 MOL35879
-CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)C1=O MOL35880
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)CO)cc2)N1 MOL35881
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)CO)cc2)N1 MOL35882
-CN1C(=O)NC(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)CO)cc2)C1=O MOL35883
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O MOL35884
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1)OC(C)=O MOL35885
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O MOL35886
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)N(C)C2=O)cc1)OC(C)=O MOL35887
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O MOL35888
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NN(C(C)=O)S(=O)(=O)c1ccc(C=C2NC(=O)NC2=O)cc1)OC(C)=O MOL35889
-O=C1NC(=O)C(=Cc2ccc(S(=O)(=O)NN=CC(O)C(O)C(O)C(O)CO)cc2)N1 MOL35890
-O=C1C=CC(=O)C(CNc2ccc(C(=O)OC34CC5CC(CC(C5)C3)C4)cc2)=C1Br MOL35891
-O=C1c2ccccc2-c2nc(-c3ccccc3)cc3c2c1nc1ccccc13 MOL35892
-CCN(CC)CCC(=O)c1ccc(Oc2ccc(C)cc2)cc1.Cl MOL35893
-CCN(CC)CCC(=O)c1ccc(Oc2ccccc2)cc1.Cl MOL35894
-CCN(CC)CCC(=O)c1ccc(Oc2ccc(F)cc2)cc1.Cl MOL35895
-CCN1CCC(O)(c2ccc(Oc3ccc(F)cc3)cc2)C(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1.Cl MOL35896
-CCN1CCC(O)(c2ccc(Oc3ccc(Cl)cc3)cc2)C(C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1.Cl MOL35897
-CCN1CCC(O)(c2ccc(Oc3ccc(C)cc3)cc2)C(C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1.Cl MOL35898
-CN(C)Cc1cc(C(=O)C=Cc2c(F)cccc2Cl)cc(CN(C)C)c1O.Cl MOL35899
-O=C1C(=Cc2ccc(O)c(CN3CCCCC3)c2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1 MOL35900
-CN(C)Cc1cc(C=C2CCCC(=Cc3ccc(O)c(CN(C)C)c3)C2=O)ccc1O MOL35901
-O=C1C(=Cc2ccc(O)cc2)CCCC1=Cc1ccc(Cl)c(Cl)c1 MOL35902
-CC12CCC(CC1=O)C2(C)CCC(N)=O MOL35903
-COC1OC2COC(C)(C)OC2C2OC(C)(C)OC12 MOL35904
-CC1(C)OC(=O)C2(O1)C(=O)C1CCCCC12 MOL35905
-CC(C)c1cc(C(C)C)c(S(=O)(=O)NN=C2CC3CCC2(C)C3(C)C)c(C(C)C)c1 MOL35906
-CC(C)(CC#N)c1cc(CC(C)(C)c2cc(CC(C)(C)c3cc(C(C)(C)C4(C)OCCO4)no3)no2)no1 MOL35907
-CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNNc1c(OCc2ccccc2)c(=O)c1=O MOL35908
-COc1cc(C(c2ccc3c(c2)OCO3)C2SCCCS2)cc(OC)c1OC MOL35909
-O=[N+]([O-])c1ccc(NN=C2CC3=C2CCCCCCCCCC3)c([N+](=O)[O-])c1 MOL35910
-O=C1NC(C(=O)O)C(c2ccc(OCc3ccccc3)cc2)O1 MOL35911
-COC(=O)CCC1(C)C2CCC1(C)C(=NO)C2 MOL35912
-COC(=O)CCC1(C)C2CCC1C(=NO)C2 MOL35913
-O=C(NC(=O)c1ccccc1)OC(c1ccccc1)C1CO1 MOL35914
-CCOC(=O)CNc1c(OCc2ccccc2)c(=O)c1=O MOL35915
-CCOC(=O)NCC(=O)NCC(=O)NCC(N)=O.Cl MOL35916
-CN1CCCN(C)CCCN(C)CCCN(C)CCC1 MOL35917
-CCOC(=O)NC(=S)NC(C)c1ccccc1 MOL35918
-O=C(NCCCNCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F.O=C(O)C(F)(F)F MOL35919
-O=C(NCCNCCNC(=O)C(F)(F)F)C(F)(F)F.O=C(O)C(F)(F)F MOL35920
-O=C1CCOc2cc(ccc2O)CCN1 MOL35921
-COC(=O)C1Cc2ccc(OC)c(c2)OCCC(=O)N1 MOL35922
-O=C(NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1 MOL35923
-COC(=O)c1c2n(c3ccccc13)CC1OC(C)(C)OC21 MOL35924
-CC1CCC(C(C)C)C(OC(=O)c2c3n(c4ccccc24)CC2OC(C)(C)OC32)C1 MOL35925
-O=C1CC(c2ccccc2)OC(c2ccccc2)C1 MOL35926
-O=C1CC(c2ccccc2)OC(c2ccccc2)C1 MOL35927
-OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5 MOL35928
-CCCCOC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(O)c(C(=O)OCCCC)c2)cc(Cl)c1O MOL35929
-CCCOC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(O)c(C(=O)OCCC)c2)cc(Cl)c1O MOL35930
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)OC(C)C)c5)c5cc(Cl)c(O)c(C(=O)OC(C)C)c5)CCC4(C)C3CCC12C MOL35931
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)OC(C)(C)C)c5)c5cc(Cl)c(O)c(C(=O)OC(C)(C)C)c5)CCC4(C)C3CCC12C MOL35932
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.OCCN1CCCC1 MOL35933
-CSc1nc(=O)cnn1C MOL35934
-COc1ccc2c(c1)CCC1C2CCC2(C)C(=NOCCN3CCCCC3)CCC12.Cl MOL35935
-CC(C)(C)OC(=O)NC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O MOL35936
-CC1SC(c2c(F)cccc2Cl)n2c1nc1ccccc12 MOL35937
-Fc1cccc(Cl)c1C1SCc2nc3cc4ccccc4cc3n21 MOL35938
-Fc1cccc(C2SCc3nc4cc5ccccc5cc4n32)c1 MOL35939
-c1ccc(C2SCc3nc4cc5ccccc5cc4n32)cc1 MOL35940
-CC(=O)O.Cc1ccc(C2=Nc3c(N)nc(N)nc3NC(c3ccccc3)C2)cc1 MOL35941
-Nc1ncnc2c1N=C(c1ccccc1)CC(c1ccccc1)N2 MOL35942
-Cc1ccc(C2=Nc3c(N)nc(N)nc3NC(c3ccccc3)C2)cc1 MOL35943
-N#Cc1nc(COCc2ccccc2)oc1N MOL35944
-CC=CC=Cc1nc(C#N)c(N)o1 MOL35945
-N#Cc1nc(C2CC2)oc1N MOL35946
-Cc1cc2c(c(C(=O)NCCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCCC(=O)O)S2 MOL35947
-COC(=O)CNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCC(=O)OC)S2 MOL35948
-Cc1cc2c(c(C(=O)NCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCC(=O)O)S2 MOL35949
-CC(NC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL35950
-Cc1cc2c(c(C(=O)NCC(=O)NC(C)C(=O)OCc3ccccc3)c1)Oc1c(cc(C)cc1C(=O)NCC(=O)NC(C)C(=O)OCc1ccccc1)S2 MOL35951
-Cc1cc2c(c(C(=O)NCCC(=O)NC(C)C(=O)OCc3ccccc3)c1)Oc1c(cc(C)cc1C(=O)NCCC(=O)NC(C)C(=O)OCc1ccccc1)S2 MOL35952
-Cc1ccsc1C=NNC1=NCCN1 MOL35953
-Cc1ccsc1C=NNc1ccccn1 MOL35954
-Cc1ccsc1C=NNc1ncccn1 MOL35955
-Cc1ccsc1C=NNc1cnccn1 MOL35956
-Cc1ccsc1C=NNc1nc2ccccc2s1 MOL35957
-Cc1ccsc1C=NNc1nncc2ccccc12 MOL35958
-Cc1ccsc1C=NNc1ccc2ccccc2n1 MOL35959
-Cc1ccsc1C=NNc1cc(C)c2ccccc2n1 MOL35960
-Cc1ccc2nc(NN=Cc3sccc3C)cc(C)c2c1 MOL35961
-Cc1ccsc1C=NNc1cc(C)c2cccc(C)c2n1 MOL35962
-COc1ccc2nc(NN=Cc3sccc3C)cc(C)c2c1 MOL35963
-COc1ccc2c(C)cc(NN=Cc3sccc3C)nc2c1 MOL35964
-Cc1ccc(C=NNC2=NCCN2)s1 MOL35965
-Cc1ccc(C=NNc2ccccn2)s1 MOL35966
-Cc1ccc(C=NNc2ncccn2)s1 MOL35967
-Cc1ccc(C=NNc2cnccn2)s1 MOL35968
-Cc1ccc(C=NNc2nc3ccccc3s2)s1 MOL35969
-Cc1ccc(C=NNc2nncc3ccccc23)s1 MOL35970
-Cc1ccc(C=NNc2ccc3ccccc3n2)s1 MOL35971
-Cc1ccc(C=NNc2cc(C)c3ccccc3n2)s1 MOL35972
-Cc1ccc2nc(NN=Cc3ccc(C)s3)cc(C)c2c1 MOL35973
-Cc1ccc(C=NNc2cc(C)c3cccc(C)c3n2)s1 MOL35974
-COc1ccc2nc(NN=Cc3ccc(C)s3)cc(C)c2c1 MOL35975
-COc1ccc2c(C)cc(NN=Cc3ccc(C)s3)nc2c1 MOL35976
-C1C[N+]23CCC[N+]4(C1)CC[S-]1[Fe+2]24([SH+]CC3)[S-]2CC[N+]34CCC[N+]5(CCC3)CC[SH+][Fe+2]1254 MOL35977
-CC1(C)C[N+]23CCC[N+]4(CCC2)CC(C)(C)[SH+][Ni-2]34[SH+]1 MOL35978
-c1ccc([PH]2(c3ccccc3)CC[SH+][Ni-2]23[SH+]CC[PH]3(c2ccccc2)c2ccccc2)cc1 MOL35979
-C1C[N+]23CCC[N+]4(C1)CC[SH+][Pd-2]24[SH+]CC3 MOL35980
-SCCN1CCCN(CCS)CCC1 MOL35981
-C1C[N+]23CCC[N+]4(C1)CC[SH+][Ni-2]24[SH+]CC3 MOL35982
-O=C(O)c1nn[nH]c1Cl MOL35983
-NNC(=O)c1nnn(N)c1S MOL35984
-CCOC(=O)c1nnsc1NC(=O)NCCCCCCn1c(=O)n(CCCCCCNC(=O)Nc2snnc2C(=O)OCC)c(=O)n(CCCCCCNC(=O)Nc2snnc2C(=O)OCC)c1=O MOL35985
-CNC(=S)c1nnsc1N MOL35986
-CN(N)N=Nc1[nH]cnc1[N+](=O)[O-] MOL35987
-Cl.NNc1[nH]c(=S)[nH]c1C(N)=O MOL35988
-N#CSc1[nH]cnc1C(N)=O MOL35989
-NC(=O)NNC(=O)c1nc[nH]c1[N+](=O)[O-] MOL35990
-CCOC(=O)Nc1nn[nH]c1Cl MOL35991
-CSc1[nH]cnc1C(N)=S MOL35992
-CC(C)=NNc1snnc1C(N)=O MOL35993
-NC(=O)c1nc[nH]c1N=NSCC(N)C(=O)O MOL35994
-CCOC(=O)c1nc[nH]c1N=NN(C)N MOL35995
-Cn1c(=O)c2[nH]c(N=O)nc2n(C)c1=O MOL35996
-CNC(=S)C(=NNc1[nH]cnc1C(N)=O)C(N)=S MOL35997
-CN(N)N=Nc1[nH]cnc1C(N)=O MOL35998
-CNC(=O)c1nc[nH]c1N=NN(C)N MOL35999
-CCOc1nnnc2[nH]cnc12 MOL36000
-CCOC(=O)c1nnsc1NN=C(C)C MOL36001
-Cc1csc(-n2nc(C)cc2C)n1 MOL36002
-CN(C)N=Nc1ccc2[nH]c(=O)[nH]c2c1 MOL36003
-N#Cc1nnn(C2CCCCC2)c1O MOL36004
-CC(=O)NC(CSN=Nc1[nH]cnc1C(N)=O)C(=O)O MOL36005
-N#Cc1nnn(-c2ccc(Br)cc2)c1O MOL36006
-N#Cc1nnn(-c2ccccc2)c1O MOL36007
-NC(=O)c1nnn(-c2ccccc2)c1O.[NaH] MOL36008
-CCOC(=O)c1nnsc1NC(=O)NN MOL36009
-Cc1n[nH]c(=O)n1-n1cccc1 MOL36010
-O=c1[nH]nc(-c2ccccc2)n1-n1cccc1 MOL36011
-Cc1ccc(Cc2nn(C)c(=O)n2-n2cccc2)cc1 MOL36012
-CCc1n[nH]c(=O)n1-n1c(C)ccc1C MOL36013
-Cc1ccc(C)n1-n1c(Cc2ccccc2)n[nH]c1=O MOL36014
-Cc1ccc(C)n1-n1c(-c2ccccc2)n[nH]c1=O MOL36015
-Cc1ccc(C)n1-n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL36016
-CCc1n[nH]c(=O)n1N1C(=O)CCC1=O MOL36017
-O=C1CCC(=O)N1n1c(Cc2ccccc2)n[nH]c1=O MOL36018
-CC(C)(C)OC(=O)NNC(=N)Cc1ccc(Cl)cc1 MOL36019
-Oc1nc(O)c2c(n1)CSS2 MOL36020
-Cc1ccc(CCCCCOc2ccc(C3=NCCO3)cc2)s1 MOL36021
-Cc1cc(C(=O)CCCCOc2ccc(C3=NCCO3)cc2)c(C)n1C MOL36022
-CN1CCN(Cc2nc3c(s2)CCc2sccc2-3)CC1.Cl MOL36023
-COc1cccc2c1CCc1sc(CN3CCN(C)CC3)nc1-2.Cl MOL36024
-Br.Clc1nc2n(c1C=Cc1cccs1)CCS2 MOL36025
-Cc1ccc(C(=C2Sc3ccccc3S2)C(=C2Sc3ccccc3S2)c2ccc(C)s2)s1 MOL36026
-COc1nc(C(=O)NNC(=O)c2nc(OC)c3ccccc3c2-c2ccccc2)c(-c2ccccc2)c2ccccc12 MOL36027
-COc1cc2c(cc1OC)-c1cc3ccccc3c(=O)n1CCC2 MOL36028
-CCn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1 MOL36029
-CCn1ncc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc21 MOL36030
-COC(=O)C(N1C(=O)c2ccccc2C1=O)C1(C)CC(Cl)=NO1 MOL36031
-COC(=O)C=C(C)n1nc2ccccc2n1 MOL36032
-CC1C=CN(N(C)C)C2=C1C(=O)c1cnccc1C2=O MOL36033
-COC(=O)C1C=CN(N(C)C)C2=C1C(=O)c1c(O)cccc1C2=O MOL36034
-CC(C)NC(=NC#N)NS(=O)(=O)c1cnccc1NC1CCCCCCC1 MOL36035
-CC(C)NC(=NC#N)NS(=O)(=O)c1cnccc1Nc1ccc(Cl)cc1 MOL36036
-O=c1c2sc3ccccc3sc=2c(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c12 MOL36037
-O=C1C2=C(SCCS2)C(=O)c2c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c21 MOL36038
-CN(C)C(=C1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21)N(C)C MOL36039
-N#CC(=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])N1CCCCC1 MOL36040
-CC(=O)Nc1ccccc1S(=O)(=O)c1c(-c2c(C)c(Cl)c(C)c(Cl)c2C)noc1C MOL36041
-CCOC(=O)C(C)OC(=O)C(C)(NC(=O)c1ccccc1C(=O)OC)C1NC=C(C(=O)OC)CS1 MOL36042
-CCn1c(=O)ccc2ccc(N(CCO)CCO)nc21 MOL36043
-OCCN(CCO)c1ccc2c(-c3ccccc3)cc(N(CCO)CCO)nc2n1 MOL36044
-Cc1c(CN2CCN(C)CC2)c(CN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1 MOL36045
-Cc1c(CN2CCOCC2)c(CN2CCOCC2)c(C)n1-c1ccc(Cl)cn1 MOL36046
-CCSC(C(COC(C)=O)OC(C)=O)S(=O)CC MOL36047
-CS(=O)CC1=NOC(c2ccccc2)C1c1ccccc1 MOL36048
-CS(=O)CC1=NOC(c2ccccc2)C1c1ccccc1 MOL36049
-Cc1ccc(S(=O)CC2=NOC(c3ccccc3)C2c2ccccc2)cc1 MOL36050
-Cc1ccc(S(=O)CC2=NOC(c3ccccc3)C2c2ccccc2)cc1 MOL36051
-CN1CCN(C(=S)N2CCN(C)CC2)CC1 MOL36052
-S=C(N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 MOL36053
-S=C(N1CCN(c2cccc(Cl)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 MOL36054
-S=C(N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 MOL36055
-S=C(Nc1c2c(nc3ccccc13)CCCC2)Nc1c2c(nc3ccccc13)CCCC2 MOL36056
-COC1OC2COC1(OC)C1OC(C)(C)OC21 MOL36057
-COC12OCC(OC1OCc1ccccc1)C1OC(C)(C)OC12 MOL36058
-COC1OC2COC1(OCc1ccccc1)C1OC(C)(C)OC21 MOL36059
-N=C1C(=N)c2ccccc2-c2ccccc21 MOL36060
-Cc1ccc(C=C2NC(=S)NC2=O)cc1 MOL36061
-O=C1NC(=S)NC1=Cc1ccc(Cl)cc1 MOL36062
-O=C1NC(=S)NC1=Cc1cccs1 MOL36063
-COc1ccc(C=C2N=C(SC)NC2=O)cc1 MOL36064
-CSC1=NC(=Cc2ccc(C)cc2)C(=O)N1 MOL36065
-O=C1NC(N2CCCCC2)=NC1=Cc1ccccc1 MOL36066
-COc1ccc(C=C2N=C(N3CCCCC3)NC2=O)cc1 MOL36067
-Cc1ccc(C=C2N=C(N3CCCCC3)NC2=O)cc1 MOL36068
-O=C1NC(N2CCCCC2)=NC1=Cc1cccs1 MOL36069
-O=C1NC(N2CCCCC2)=NC1=Cc1ccc(Cl)cc1 MOL36070
-O=C1NC(N2CCCCC2)=NC1=Cc1ccco1 MOL36071
-O=C1NC(N2CCCC(CO)C2)=NC1=Cc1ccccc1 MOL36072
-COc1ccc(C=C2N=C(N3CCCC(CO)C3)NC2=O)cc1 MOL36073
-O=C1NC(N2CCCC(CO)C2)=NC1=Cc1ccc(Cl)cc1 MOL36074
-Cc1ccc(C=C2N=C(N3CCCC(CO)C3)NC2=O)cc1 MOL36075
-O=C1NC(N2CCCC(CO)C2)=NC1=Cc1cccs1 MOL36076
-O=C1NC(N2CCCC(CO)C2)=NC1=Cc1ccc(O)cc1 MOL36077
-O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccccc1 MOL36078
-COc1ccc(C=c2c(=O)[nH]c3nc4ccccc4c(=O)n23)cc1 MOL36079
-O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccc(Cl)cc1 MOL36080
-Cc1ccc(C=c2c(=O)[nH]c3nc4ccccc4c(=O)n23)cc1 MOL36081
-O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1cccs1 MOL36082
-O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccco1 MOL36083
-O=c1[nH]c2nc3ccccc3c(=O)n2c1=Cc1ccc(O)cc1 MOL36084
-O=C1NC(N2CCOCC2)=NC1=Cc1ccccc1 MOL36085
-O=C1NC(N2CCOCC2)=NC1=Cc1ccc(Cl)cc1 MOL36086
-COc1ccc(C=C2N=C(N3CCOCC3)NC2=O)cc1 MOL36087
-O=C1NC(N2CCOCC2)=NC1=Cc1cccs1 MOL36088
-O=C1NC(N2CCOCC2)=NC1=Cc1ccco1 MOL36089
-O=C1NC(N2CCOCC2)=NC1=Cc1ccc(O)cc1 MOL36090
-Cc1ccc(C=C2N=C(N3CCOCC3)NC2=O)cc1 MOL36091
-O=C1NC(=S)NC1=Cc1ccccc1 MOL36092
-COc1ccc(C=C2NC(=S)NC2=O)cc1 MOL36093
-O=C1NC(=S)NC1=Cc1ccco1 MOL36094
-C1CCNCC1.O=C1NC(=S)NC1=Cc1ccccc1O MOL36095
-C1CCNCC1.CN(C)c1ccc(C=C2NC(=S)NC2=O)cc1 MOL36096
-O=C1NC(N2CCCCC2)=NC1=Cc1ccccc1O MOL36097
-O=C1NC(N2CCOCC2)=NC1=Cc1ccccc1O MOL36098
-S=C1N=C(Cl)C(=Cc2ccccc2)N1 MOL36099
-COc1ccc(C=C2NC(=S)N=C2Cl)cc1 MOL36100
-S=C1N=C(Cl)C(=Cc2ccco2)N1 MOL36101
-Cc1ccc(NC2=NC(=Cc3ccccc3)C(Cl)=N2)cc1 MOL36102
-Cc1ccc(NC2=NC(=Cc3ccco3)C(Cl)=N2)cc1 MOL36103
-N#CC1=C(N)N2C(=O)C(=Cc3ccccc3O)N=C2S1 MOL36104
-NC(=S)Nc1nc(S)nc2c1SC1=NC(=Cc3ccco3)C(=O)N12 MOL36105
-CCC(c1ccccc1)C1NC(=S)NC1=O MOL36106
-O=C1NC(=S)NC1C(Cc1ccccc1)c1ccccc1 MOL36107
-CCC(c1ccc(OC)cc1)C1NC(=S)NC1=O MOL36108
-COc1ccc(C(Cc2ccccc2)C2NC(=S)NC2=O)cc1 MOL36109
-CCC(c1ccc(N(C)C)cc1)C1NC(=S)NC1=O MOL36110
-CN(C)c1ccc(C(Cc2ccccc2)C2NC(=S)NC2=O)cc1 MOL36111
-O=C1NC(=S)NC1C(Cc1ccccc1)c1ccco1 MOL36112
-NC1=C(N2CCCCC2)C(=O)NC2=NC(=Cc3ccccc3)C(=O)N21 MOL36113
-NC1=C(N2CCOCC2)C(=O)NC2=NC(=Cc3ccccc3)C(=O)N21 MOL36114
-NC1=C(N2CCOCC2)C(=O)NC2=NC(=Cc3ccccc3O)C(=O)N21 MOL36115
-COc1ccc(C=C2N=C3NC(=O)C(N4CCCCC4)=C(N)N3C2=O)cc1 MOL36116
-COc1ccc(C=C2N=C3NC(=O)C(N4CCOCC4)=C(N)N3C2=O)cc1 MOL36117
-NC1=C(N2CCCCC2)C(=O)NC2=NC(=Cc3ccco3)C(=O)N21 MOL36118
-OCCCNC1=NC(=Cc2ccccc2)C(Cl)=N1 MOL36119
-CCOC=NC1=C(C#N)SC2=NC(=Cc3ccccc3)C(=O)N21 MOL36120
-CCOC=NC1=C(C#N)SC2=NC(=Cc3ccc(OC)cc3)C(=O)N21 MOL36121
-CCOC=NC1=C(C#N)SC2=NC(=Cc3ccco3)C(=O)N21 MOL36122
-O=C1C(=Cc2ccccc2)N=C2Sc3c(O)ncnc3N12 MOL36123
-COc1ccc(C=C2N=C3Sc4c(O)ncnc4N3C2=O)cc1 MOL36124
-O=C1C(=Cc2ccco2)N=C2Sc3c(O)ncnc3N12 MOL36125
-NNC1=NC(=Cc2ccco2)C(Cl)=N1 MOL36126
-COc1ccc(C=C2N=C(NN)N=C2Cl)cc1 MOL36127
-CCCc1cc(=O)oc2c3c(cc(OC(C)COC)c12)OC(C)C(C)C3=O MOL36128
-COC1C=CC=CC=CCC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)C(C)=CCCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 MOL36129
-CCOc1cc2c(cc1O)C=CC1C2CCC2(C)C(O)CCC12 MOL36130
-COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1 MOL36131
-CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL36132
-COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(C)=O)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O MOL36133
-COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(C)=O)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O MOL36134
-COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O MOL36135
-COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=C(C)C(C)C)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O MOL36136
-COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O MOL36137
-COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O MOL36138
-COc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC MOL36139
-COc1cc(-c2oc3cc(OC)c(OC)c(OC)c3c(=O)c2OC)cc(OC)c1OC MOL36140
-C=C(C)C(O)C(O)c1c(OC)ccc2ccc(=O)oc12 MOL36141
-C=C(C)C(O)C(OCC)c1c(OC)ccc2ccc(=O)oc12 MOL36142
-C=C(C)C(OC(C)=O)C(OCC)c1c(OC)ccc2ccc(=O)oc12 MOL36143
-C=C(C)C(OC(C)=O)C(OC(C)=O)c1c(OC)ccc2ccc(=O)oc12 MOL36144
-NCCCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCCCN)c2c1C(=O)c1ccccc1C2=O MOL36145
-CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(NCCNC(=O)C(CCCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O MOL36146
-CSCCC(N)C(=O)NCCNc1ccc(NCCNC(=O)C(N)CCSC)c2c1C(=O)c1ccccc1C2=O MOL36147
-CSCCC(NC(=O)OC(C)(C)C)C(=O)NCCNc1ccc(NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O MOL36148
-O=C1c2ccccc2C(=O)c2c(NCCNC(=O)C3CCCN3)ccc(NCCNC(=O)C3CCCN3)c21 MOL36149
-CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNc1ccc(NCCNC(=O)C2CCCN2C(=O)OC(C)(C)C)c2c1C(=O)c1ccccc1C2=O MOL36150
-CC(C)(C)c1ccc2c(c1)OCc1n[nH]c(n1)COc1cc(C(C)(C)C)ccc1OCCOCCO2 MOL36151
-Cl.OCC1CCCCN1Cc1nc2cc(Cl)ccc2[nH]1 MOL36152
-CCOC(=O)CN1C(=O)c2c(c(C)n(-c3ccccc3)c2C)C1=O MOL36153
-CCN1CCC(CNC(=O)c2ccc(N)cc2)N1CC MOL36154
-CC12OCC(c3ccccc3)N1C(=O)C1C2CC12SCCS2 MOL36155
-CC(C)OC(=O)c1ccc(CCC2=CC(=O)C=CC2=O)cc1 MOL36156
-CC1=CCC2(C)CCC(O)(C(C)C)C2C(OC(=O)c2ccccc2)C1 MOL36157
-COc1cc(C(=O)OC2CC(C)=CCC3(C)CCC(O)(C(C)C)C23)ccc1O MOL36158
-CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)C(=O)C(O)C3(C)CCC12C MOL36159
-CC1=CCC2(C)CCC(O)(C(C)C)C2C(OC(=O)c2ccc(O)cc2)C1 MOL36160
-CCCCCCCCCC(=O)CC(=O)c1c(O)cc(O)cc1O MOL36161
-CCCCCCCCCC(O)CC(=O)c1c(O)cccc1O MOL36162
-CCCCCCCCCc1cc(=O)c2c(O)cc(O)cc2o1 MOL36163
-O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CCC(O)C1=O MOL36164
-CCCCCCCCC#CCCCCCCC(F)C(=O)O MOL36165
-CCC#CCCCCCCCCC(F)C(=O)O MOL36166
-CCCCCCCCC=CCCCCCCC(F)C(=O)O MOL36167
-O=C(OCc1ccccc1)C1OC1C(=O)OCc1ccccc1 MOL36168
-CCOC(=O)C1CC2OC2CC1C MOL36169
-COc1ccc(C=C(Cl)Cl)cc1OC MOL36170
-CC(=O)NC(C)c1ccc(N=NN2CCCC2)cc1 MOL36171
-CC(=NO)c1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 MOL36172
-CC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(C)=O)c(C(=O)OCc3ccccc3)c2)cc1C(=O)OCc1ccccc1 MOL36173
-CCOC(=O)Oc1c(Cl)cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC(=O)OCC)c(C(=O)OCC)c2)cc1C(=O)OCC MOL36174
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(O)c(C(=O)OCc6ccccc6)c5)c5cc(Cl)c(O)c(C(=O)OCc6ccccc6)c5)CCC4(C)C3CCC12C MOL36175
-CCCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O MOL36176
-CCCCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O MOL36177
-CS(=O)(=O)N1CC(CCl)c2ccc(SSc3ccc4c(c3)N(S(C)(=O)=O)CC4CCl)cc21 MOL36178
-CS(=O)(=O)N1CC(CCl)c2ccc(S)cc21 MOL36179
-COC(=O)C(Cc1ccccc1)NP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-].N MOL36180
-COc1ccc(C=O)cc1Oc1ccc(CC2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CCN2C)cc1.Cl MOL36181
-Cc1ccc(C=CC(=O)c2c([O-])on[n+]2-c2ccccc2)cc1 MOL36182
-O=C(C=Cc1ccc(C(F)(F)F)cc1)c1c([O-])on[n+]1-c1ccccc1 MOL36183
-COc1cc(C=CC(=O)c2c([O-])on[n+]2-c2ccccc2)ccc1O MOL36184
-CCCC1=C(OC)C(=O)c2c(C)cc(Cl)nc2C1=O MOL36185
-COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)c(OC)c(C)c1OC MOL36186
-COc1c(C)c2nc3ccccc3nc2c2c(O)ccnc12 MOL36187
-CCOc1ccnc2c(OC)c(C)c3nc4ccccc4nc3c12 MOL36188
-N#Cc1c(S)nc2c(c1C=Cc1ccccc1)CCCCC2 MOL36189
-COc1cc(C)c(C=CC(=O)N2C(=O)OCC2c2ccccc2)c(C)c1 MOL36190
-CC=CC(=O)N1C(=O)OCC1c1ccccc1 MOL36191
-O=c1ccn(C2OC(COC3CCCCO3)C(OC3CCCCO3)C2OC2CCCCO2)c(=O)n1-c1ccccc1 MOL36192
-O=c1ccn(-c2ccccn2)c(=O)n1-c1ccccn1 MOL36193
-CCc1ccc2c(c1)C(=O)[OH+][Cu-3]13Oc4ccc(CC)cc4C(=O)[OH+][Cu-3](O2)(Oc2ccc(CC)cc2C(=O)[OH+]1)[OH+]C(=O)c1cc(CC)ccc1O3 MOL36194
-CCN1C(=CC#CC(C)=Cc2sc3ccc(Cl)cc3[n+]2CC)Sc2ccc(Cl)cc21.[I-] MOL36195
-CC(C)(C)C(=O)C(C#N)C(=O)C(C)(C)C MOL36196
-CC(=O)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C MOL36197
-CC(C)(C)C(=O)C(CC(=O)c1ccccc1)C(=O)C(C)(C)C MOL36198
-CC(C)(C)C(=O)C=C(OB(F)F)C(C)(C)C MOL36199
-CC(C)(C)C(=O)C(N)C(=O)C(C)(C)C MOL36200
-CC(=O)ONC(C(=O)C(C)(C)C)C(=O)C(C)(C)C MOL36201
-CC(C)(C)C(=O)C(Cc1ccccc1)C(=O)C(C)(C)C MOL36202
-CC(C)(C)C(=O)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C MOL36203
-CC(C)(C)C(=O)C(C(=O)c1ccccc1)C(=O)C(C)(C)C MOL36204
-CN(C)CCCNC(=O)CNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCNC(=O)c4cc(NC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C.O=C(O)C(F)(F)F MOL36205
-CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)c8nccn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C.O=C(O)C(F)(F)F MOL36206
-CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCCNC(=O)c4cc(NC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C.O=C(O)C(F)(F)F MOL36207
-CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C.O=C(O)C(F)(F)F MOL36208
-CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c5)n(C)c4)n(C)c3)n(C)c2)n(C)c1.O=C(O)C(F)(F)F MOL36209
-CCOC(=O)C1(C)CC(O)C(=O)N1C MOL36210
-CN1C(=O)C(O)CC1c1ccccc1 MOL36211
-CN1C(=O)C(O)CC1c1ccc(F)cc1 MOL36212
-CCOC(=O)C1CC(O)C(=O)N1C MOL36213
-CCOC(=O)CC1C(O)C(=O)N(C)C1c1ccccc1 MOL36214
-COCCOCc1nc(C#N)c(N)o1 MOL36215
-N#Cc1nc(-c2ccccc2C(=O)O)oc1N MOL36216
-N#Cc1nc(CCC(C(=O)O)N2C(=O)c3ccccc3C2=O)oc1N MOL36217
-N#Cc1nc(CCC(c2nc(C#N)c(N)o2)N2C(=O)c3ccccc3C2=O)oc1N MOL36218
-N#Cc1nc(C=Cc2cccnc2)oc1N MOL36219
-N#Cc1nc(C(F)(F)F)oc1N MOL36220
-N#Cc1nc(C2CCC2)oc1N MOL36221
-CC1(C)OCC2OC3(c4nc(C#N)c(N)o4)OC(C)(C)OC3C2O1 MOL36222
-N#Cc1nc(-c2cccc(-c3nc(C#N)c(N)o3)n2)oc1N MOL36223
-N#Cc1nc(C(O)c2ccccc2)oc1N MOL36224
-CC(O)c1nc(C#N)c(N)o1 MOL36225
-N#Cc1nc(C#N)c(NC(=O)c2ccccc2C(=O)O)[nH]1 MOL36226
-CC(C)COP(=O)(OCC(C)C)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F MOL36227
-CC(C)OP(=O)(OC(C)C)C(C)(C)O MOL36228
-CC(C)OP(=O)(OC(C)C)C(C(F)(F)F)C(F)(F)F MOL36229
-CCCCCCOP(=O)(OCCCCCC)OC(C(=O)OC)C(F)(F)F MOL36230
-CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(=O)OCC)C(F)(F)F MOL36231
-CC1(C)CN=C(Nc2ccc(Cl)cc2)S1 MOL36232
-CC1(C)CN=C(Nc2ccc(F)c(Cl)c2)S1 MOL36233
-CC1(C)CN=C(Nc2ccc(F)cc2)S1 MOL36234
-CC1(C)CN=C(Nc2cccc(C(F)(F)F)c2)S1 MOL36235
-CC1(C)CN=C(Nc2ccc(F)c(F)c2)S1 MOL36236
-CC1CN=C(Nc2cccc(F)c2)S1 MOL36237
-Fc1cccc(NC2=NCC(CI)S2)c1 MOL36238
-FC(F)(F)c1cccc(NC2=NCC(CI)S2)c1 MOL36239
-O=C(Nc1ccccc1)N(C1=NCC(CI)S1)c1ccc(F)cc1F MOL36240
-Fc1ccc(NC2=NCC(CI)S2)c(F)c1 MOL36241
-NS(=O)(=O)c1ccc(NC2=NCC(CI)S2)cc1 MOL36242
-Cc1ccc(S(=O)(=O)NNCNC(=O)c2ccccc2)cc1 MOL36243
-Cc1ccnc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1 MOL36244
-CCCC(=O)NC(Nc1cc(C)ccn1)(C(=O)OCC)C(F)(F)F MOL36245
-CCOC(=O)C(NCc1ccccc1)(NC(=O)c1ccccc1)C(F)(F)F MOL36246
-CCOC(=O)C(NC(=O)c1ccccc1)(N1CCOCC1)C(F)(F)F MOL36247
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)on1)C(F)(F)F MOL36248
-CCOC(=O)C(NCc1ccc2c(c1)OCO2)(NC(=O)c1ccccc1)C(F)(F)F MOL36249
-CCOC(=O)C(NCc1cccc(C(F)(F)F)c1)(NC(=O)c1ccccc1)C(F)(F)F MOL36250
-CCCC(=O)NC(C(=O)OCC)(N1CCOCC1)C(F)(F)F MOL36251
-CCOC(=O)C(NC(=O)CC)(Nc1ccc(F)c(Cl)c1)C(F)(F)F MOL36252
-CCOC(=O)C(NCc1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F MOL36253
-CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F MOL36254
-CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F MOL36255
-CCOC(=O)C(NC(=O)c1cccc(Cl)c1)(Nc1cccc(C)c1)C(F)(F)F MOL36256
-CCOC(=O)C(Cl)(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F MOL36257
-CCOC(=O)C(O)(NC(=O)c1ccccc1F)C(F)(F)F MOL36258
-CCOC(=O)C(O)(NC(C)=O)C(F)(F)F MOL36259
-CCOC(=O)C(O)(NC(=O)c1ccc(F)cc1)C(F)(F)F MOL36260
-C=CC(=O)NC(O)(C(=O)OCC)C(F)(F)F MOL36261
-OC[P+](CO)(CO)C12CC3CC(CC(C3)C1)C2.[Cl-] MOL36262
-CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1 MOL36263
-CCOC(=O)C(Cl)(NC(=O)c1ccc(F)cc1)C(F)(F)F MOL36264
-O=C(NC(Cl)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 MOL36265
-O=C(NC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 MOL36266
-Cc1ccccc1C(=O)NC(O)(C(F)(F)F)C(F)(F)F MOL36267
-CCOC(=O)C(Cl)(NC(=O)OCc1ccccc1)C(F)(F)F MOL36268
-CCCC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F MOL36269
-CC(C)CC(=O)NC(NC(C)C)(C(F)(F)F)C(F)(F)F MOL36270
-O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F MOL36271
-O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F MOL36272
-CCOC(=O)C(NC(=O)CC(C)C)(NC(C)C)C(F)(F)F MOL36273
-CCOC(=O)C(NC(=O)CC(C)C)(Nc1ccc(C(F)(F)F)cc1)C(F)(F)F MOL36274
-CCCC(=O)NC(NC1CCCCC1)(C(=O)OCC)C(F)(F)F MOL36275
-CCOC(=O)C(NC(C)=O)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F MOL36276
-CCOC(=O)NC(NC1=NCCS1)(C(=O)OCC)C(F)(F)F MOL36277
-CCOC(=O)NC(Nc1ccc(F)cc1)(C(=O)OCC)C(F)(F)F MOL36278
-CCOC(=O)NC(Nc1ccc(F)c(F)c1)(C(=O)OCC)C(F)(F)F MOL36279
-CCC(=O)COc1ccc(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1 MOL36280
-CCOC(=O)C(=CNc1ccc(S(N)(=O)=O)cc1)C(=O)OCC MOL36281
-C=CCNC(=O)NNC(O)(C(=O)OCC)C(F)(F)F MOL36282
-CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC MOL36283
-CCOC(=O)C(=CNc1ccc(F)c(F)c1)C(=O)OCC MOL36284
-CCOC(=O)C(=CNc1ccc(N(C2=NCC(C)S2)c2ccc(F)c(Cl)c2)cc1)C(=O)OCC MOL36285
-O=c1oc(C(C(F)(F)F)C(F)(F)F)nc2ccccc12 MOL36286
-O=C(N=C1SCCN1C(=O)C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F MOL36287
-CCOC(=O)C(NC(=O)c1ccccc1)(Nc1ccc(Cl)cc1C(F)(F)F)C(F)(F)F MOL36288
-CC(=O)N(CN1C(=O)CCC1C(=O)O)c1ccccc1 MOL36289
-COc1ccccc1N(CN1C(=O)CCC1C(=O)O)C(C)=O MOL36290
-COc1cccc(N(CN2C(=O)CCC2C(=O)O)C(C)=O)c1 MOL36291
-COc1ccc(N(CN2C(=O)CCC2C(=O)O)C(C)=O)cc1 MOL36292
-CC(=O)N(CN1C(=O)CCC1C(=O)O)c1ccc(C)cc1 MOL36293
-CC(=O)N(CN1C(=O)CCC1C(=O)O)c1cccc(O)c1 MOL36294
-CC(=O)N(CN1C(=O)CCC1C(=O)O)c1ccccc1Cl MOL36295
-COc1ccc(OC)c(N(CN2C(=O)CCC2C(=O)O)C(C)=O)c1 MOL36296
-COC(=O)C1CCC(=O)N1CN(C(C)=O)c1ccccc1 MOL36297
-COC(=O)C1CCC(=O)N1CN(C(C)=O)c1cc(OC)ccc1OC MOL36298
-COC(=O)C1CCC(=O)N1CN(C(C)=O)c1cccc(O)c1 MOL36299
-COC(=O)C1CCC(=O)N1CN(C(C)=O)c1ccccc1Cl MOL36300
-CCOCCOC(=O)C1CCC(=O)N1CN(C(C)=O)c1cc(OC)ccc1OC MOL36301
-CNC(=O)C1CCC(=O)N1CN(C(C)=O)c1ccccc1 MOL36302
-COc1ccc(N(CN2C(=O)CCC2OC)C(C)=O)cc1 MOL36303
-COc1cccc(N(CN2C(=O)CCC2OC)C(C)=O)c1 MOL36304
-COC1CCC(=O)N1CN(C(C)=O)c1ccc(C)cc1 MOL36305
-COc1cccc(N(CN2CC=CC2=O)C(C)=O)c1 MOL36306
-CC(=O)N1CN2C(=O)CCC2c2ccccc21 MOL36307
-COc1ccc(OC)c2c1C1CCC(=O)N1CN2C(C)=O MOL36308
-COc1ccc2c(c1)N(C(C)=O)CN1C(=O)CCC21 MOL36309
-CC(=O)N1CN2C(=O)CCC2c2cc(C)ccc21 MOL36310
-O=C1CCC2c3ccccc3NCN12 MOL36311
-COc1ccc(NC(C)=O)cc1C1CCC(=O)N1 MOL36312
-O=S(=O)(O)OCC1OC2OC3C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC6C(COS(=O)(=O)O)OC(OC7C(COS(=O)(=O)O)OC(OC8C(COS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O MOL36313
-CCSCC1OC2OC3C(CSCC)OC(OC4C(CSCC)OC(OC5C(CSCC)OC(OC6C(CSCC)OC(OC7C(CSCC)OC(OC8C(CSCC)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O MOL36314
-CCCCCCCCSCC1OC2OC3C(CSCCCCCCCC)OC(OC4C(CSCCCCCCCC)OC(OC5C(CSCCCCCCCC)OC(OC6C(CSCCCCCCCC)OC(OC7C(CSCCCCCCCC)OC(OC8C(CSCCCCCCCC)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O MOL36315
-O=S(=O)(O)NCC1OC2OC3C(CNS(=O)(=O)O)OC(OC4C(CNS(=O)(=O)O)OC(OC5C(CNS(=O)(=O)O)OC(OC6C(CNS(=O)(=O)O)OC(OC7C(CNS(=O)(=O)O)OC(OC8C(CNS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O MOL36316
-O=C(O)CCCCCCCc1ccc(C(=O)OCC2OC3OC4C(COC(=O)c5ccc(CCCCCCCC(=O)O)cc5)OC(OC5C(COC(=O)c6ccc(CCCCCCCC(=O)O)cc6)OC(OC6C(COC(=O)c7ccc(CCCCCCCC(=O)O)cc7)OC(OC7C(COC(=O)c8ccc(CCCCCCCC(=O)O)cc8)OC(OC8C(COC(=O)c9ccc(CCCCCCCC(=O)O)cc9)OC(OC2C(OS(=O)(=O)O)C3OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)cc1 MOL36317
-CC(CCCN1CCCCC1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.Cl MOL36318
-CC(CCCN1CCOCC1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.Cl MOL36319
-CC(CCCN1CCN(C)CC1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.Cl MOL36320
-CC(CCc1nc2ccccc2n1CCN(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.CS(=O)(=O)O MOL36321
-O=C1OCC=C1COC1OC(CO)C(O)C(O)C1O MOL36322
-COc1cccc(C=Cc2ccc(O)cc2)c1 MOL36323
-N#CC(=Cc1ccc(F)cc1)c1nc(O)c2ccccc2n1 MOL36324
-N#CC(=Cc1cccc(Br)c1)c1nc(O)c2ccccc2n1 MOL36325
-N#CC(=Cc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1 MOL36326
-N#CC(=Cc1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 MOL36327
-COc1ccc(C=C(C#N)c2nc(O)c3ccccc3n2)cc1 MOL36328
-N#CC(=Cc1ccc(Cl)cc1)c1nc(O)c2ccccc2n1 MOL36329
-COc1ccc2oc(=N)c(C(N)=S)cc2c1 MOL36330
-CCN(CC)c1ccc2cc(C(N)=S)c(=N)oc2c1 MOL36331
-N=c1oc2ccccc2cc1-c1nc2ccccc2[nH]1 MOL36332
-N=c1oc2ccccc2cc1-c1nc(O)c2ccccc2n1 MOL36333
-CCN(CC)c1ccc2cc(-c3nc(O)c4ccccc4n3)c(=N)oc2c1 MOL36334
-N=c1oc2ccc3ccccc3c2cc1-c1nc(O)c2ccccc2n1 MOL36335
-O=c1oc2ccccc2cc1-c1nc(O)c2ccccc2n1 MOL36336
-N#CCc1nc(-c2cc3ccccc3oc2=O)cs1 MOL36337
-N#CCc1nc(-c2cc3ccc(O)cc3oc2=O)cs1 MOL36338
-N#CCc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 MOL36339
-CCCCCCc1cc2cc(-c3csc(CC#N)n3)c(=O)oc2cc1O MOL36340
-N#CC(=Cc1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 MOL36341
-COc1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 MOL36342
-CN(C)c1ccc(C=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 MOL36343
-N#CC(=Cc1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 MOL36344
-Cc1nc(-c2cc3ccccc3oc2=O)cs1 MOL36345
-Cc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 MOL36346
-CCN(CC)c1ccc2cc(-c3csc(C)n3)c(=O)oc2c1 MOL36347
-COc1ccc2oc(=O)c(-c3csc(C)n3)cc2c1 MOL36348
-Cc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 MOL36349
-COc1ccc2oc(=O)c(-c3csc(-c4ccccc4)n3)cc2c1 MOL36350
-O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(-c2ccccc2)n1 MOL36351
-COc1ccc(-c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 MOL36352
-COc1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 MOL36353
-CCCCCCc1cc2cc(-c3csc(-c4ccc(OC)cc4)n3)c(=O)oc2cc1O MOL36354
-CCN(CC)c1ccc2cc(-c3csc(-c4ccc(N(C)C)cc4)n3)c(=O)oc2c1 MOL36355
-CN(C)c1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 MOL36356
-CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1 MOL36357
-CCN(CC)c1ccc2cc(C(=O)Nc3cccc4ccccc34)c(=N)oc2c1 MOL36358
-N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)NCc1ccccc1 MOL36359
-N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1 MOL36360
-COc1ccc2oc(=N)c(C(=O)Nc3ccccc3)cc2c1 MOL36361
-N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1 MOL36362
-N=c1oc2cc(O)ccc2cc1C(=O)NCc1ccccc1 MOL36363
-CCN(CC)c1ccc2cc(C(=O)NCc3ccccc3)c(=N)oc2c1 MOL36364
-COc1cccc2cc(C(=O)Nc3ccccc3)c(=N)oc12 MOL36365
-COc1ccc2oc(=N)c(C(=O)NCc3ccccc3)cc2c1 MOL36366
-N=c1oc2ccc3ccccc3c2cc1C(N)=S MOL36367
-CC(=O)Oc1c(OC(C)C)c(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c2[nH]c3ccccc3c12 MOL36368
-CC(C)Oc1c(O)c2c3c(oc(=O)n3C=CC2c2ccccc2)c1OC(C)C MOL36369
-CC(C)Oc1c(O)c2c3c(oc(=O)n3C=CC2c2ccccc2F)c1OC(C)C MOL36370
-CC(C)Oc1c(-c2ccc(F)cc2)c(O)c2c3c1oc(=O)n3C=CC2C MOL36371
-Cc1ccc(C)n1-c1ccccc1C1C=CN(C(=O)OC(C)(C)C)C=C1 MOL36372
-Cc1ccc(C)n1-c1ccccc1C1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32 MOL36373
-COc1c(OC(C)C)c(OC(C)C)c2oc(=O)n3c2c1C(c1ccccc1-n1c(C)ccc1C)C=C3 MOL36374
-Cc1ccc(C)n1-c1ccccc1C1C=Cn2c3c1c(=O)c(OC(C)C)c(OC(C)C)c-3n[nH]c2=O MOL36375
-CCN(CC)c1c(C(C)(C)C)c(=O)n2ccsc2c1OC(C)=O MOL36376
-CC(=O)Oc1c(OC(C)C)cc(=O)n2ccsc12 MOL36377
-CC(C)Oc1c(-c2c(OC(C)C)c(=O)c2=O)c(=O)c1=O MOL36378
-CCN(CC)c1c(-c2c(N(CC)CC)c(OC(C)=O)c3sccn3c2=O)c(=O)n2ccsc2c1OC(C)=O MOL36379
-CCN(CC)c1c(-c2c(OC(C)C)c(=O)c2=O)c(=O)n2ccsc2c1OC(C)=O MOL36380
-COc1ccccc1C(=O)c1c(NCc2ccccc2)c(=O)c1=O MOL36381
-O=C(c1ccccc1F)c1c(NCc2ccccc2)c(=O)c1=O MOL36382
-Cc1ccc(C)n1-c1ccccc1C1SCCCS1 MOL36383
-COn1oc(=O)c2ccccc21 MOL36384
-C(=Nc1ccccc1C1SCCCS1)c1ccccc1 MOL36385
-CC(C)Oc1c(N(Cc2ccccc2)c2ccccc2C2SCCCS2)c(=O)c1=O MOL36386
-CCCCCCSCCC(C)=NOC MOL36387
-COc1ccccc1C(=O)c1c(N2CCCCC2)c(=O)c1=O MOL36388
-O=c1c2c(c1=O)C1(SCCCS1)c1cc(Cl)ccc1O2 MOL36389
-COc1c(C2(c3ccc(F)cc3)SCCCS2)c(=O)c1=O MOL36390
-CC(=O)Oc1c2oc3ccc(Cl)cc3c(=O)c2c(O)c2ccsc12 MOL36391
-CC(=O)Oc1c(N2CCCCC2)c(C(=O)c2ccccc2)c(O)c2ccn(N(C)C)c12 MOL36392
-COc1c(N2CCCCC2)c2c(=O)c3ccccc3oc2c2cc(C)oc12 MOL36393
-COc1c(N2CCCCC2)c2c(=O)c3ccccc3oc2c2c3ccccc3n(C)c12 MOL36394
-COc1cccc2c(=O)c3c(O)c4cc(N(C)C)ccc4c(OC(C)=O)c3oc12 MOL36395
-CC(=O)OC(C=Cc1ccccc1)=C(OC(C)C)C1=C(c2ccccc2)SCCCSC1=O MOL36396
-CC(C)(C)c1c(C(C)(C)C)c(=O)c1=O MOL36397
-COC(=O)c1ccc(CCC2=CC(=O)C(Br)=CC2=O)cc1 MOL36398
-CC(C)OC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1 MOL36399
-CC(C)OC(=O)c1ccc(CCC2=CC(=O)C(Br)=CC2=O)cc1 MOL36400
-O=C(c1ccccc1)C1C(c2ccccc2)N1S(=O)(=O)c1ccccc1 MOL36401
-Cc1ccc(S(=O)(=O)NC(=CC=Cc2ccccc2)C(=O)C(C)(C)C)cc1 MOL36402
-Cc1ccc(C2C(C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 MOL36403
-Cc1c(NC(=O)CSC(=S)N(C)C)c(=O)n(-c2ccccc2)n1C MOL36404
-Cc1c(NC(=O)CSC(=S)N2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C MOL36405
-CCOC(=O)C1(C(=O)OCC)CCCN1C(=O)C(CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 MOL36406
-N#Cc1nc(Cc2ccccc2)oc1N MOL36407
-C=C(C)c1nc(C#N)c(N)o1 MOL36408
-N#Cc1nc(CCN2C(=O)c3ccccc3C2=O)oc1N MOL36409
-N#Cc1nc(CCCN2C(=O)c3ccccc3C2=O)oc1N MOL36410
-COC(=O)c1ccc(-c2nc(C#N)c(N)o2)cc1 MOL36411
-N#Cc1nc(CCCCCN2C(=O)c3ccccc3C2=O)oc1N MOL36412
-CS(=O)C(C1=NOC(c2ccccc2)C1c1ccccc1)C(O)C1COC(C)(C)O1 MOL36413
-CS(=O)C(C1=NOC(c2ccccc2)C1c1ccccc1)C(O)C1COC(C)(C)O1 MOL36414
-O=C1C(=Cc2ccc(Cl)cc2)CNCC1=Cc1ccc(Cl)cc1 MOL36415
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CNCC1=Cc1ccc([N+](=O)[O-])cc1 MOL36416
-O=C1C(=Cc2ccc(F)cc2)CNCC1=Cc1ccc(F)cc1 MOL36417
-Cc1ccc(C=Cc2nnc(NN=Cc3ccc4c(c3)OCO4)nc2O)cc1 MOL36418
-COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2cc(C)c(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL36419
-CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCO[Si](C)(C)C(C)(C)C MOL36420
-COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2cc(C)c(=O)n(C)c2=O)C1O[Si](C)(C)C(C)(C)C MOL36421
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(CC#N)Sc1ccccc1 MOL36422
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(=CC#N)C1O[Si](C)(C)C(C)(C)C MOL36423
-Cc1cn(C(C)OCCN(OC(=O)Oc2ccccc2)C(=O)Oc2ccccc2)c(=O)[nH]c1=O MOL36424
-Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C(=CC#N)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL36425
-Cc1cn(C(C)OCCN(O)C(=O)Oc2ccccc2)c(=O)[nH]c1=O MOL36426
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC#N MOL36427
-Cc1cn(C(C)OCCN(O)C(N)=O)c(=O)[nH]c1=O MOL36428
-COc1ccc(C2OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N2OC(C)=O)cc1 MOL36429
-[Na+].c1ccc([SH+][GeH2+]2[SH+]c3ccccc3[SH+]2)c([SH+][GeH2+]2[SH+]c3ccccc3[SH+]2)c1 MOL36430
-CC[N+](CC)(CC)CC.c1ccc2c(c1)[SH+][Tl-]1([SH+]2)[SH+]c2ccccc2[SH+]1 MOL36431
-[Na+].c1ccc2c(c1)[SH+][Sn]1([SH+]2)[SH+]c2ccccc2[SH+]1 MOL36432
-[Na+].c1ccc2c(c1)[SH+][Pb]1([SH+]2)[SH+]c2ccccc2[SH+]1 MOL36433
-CC[N+](CC)(CC)CC.c1ccc2c(c1)[SH+][Sb+]1([SH+]2)[SH+]c2ccccc2[SH+]1 MOL36434
-CC[N+](CC)(CC)CC.c1ccc2c(c1)[SH+][Bi+]1([SH+]2)[SH+]c2ccccc2[SH+]1 MOL36435
-CC1=[O+][Co-4]23(NCCN2CCNC(=O)c2cccc4nc5ccccc5nc24)([O+]=C(C)[C-]1C)[O+]=C(C)[C-](C)C(C)=[O+]3.[Cl-] MOL36436
-CS(=O)(=O)N1CC(CCl)c2ccc(NO)cc21 MOL36437
-CCOc1cc2c(cc1O)C(=NNS(=O)(=O)c1ccc(C)cc1)CC1C2CCC2(C)C(O)CCC12 MOL36438
-Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccccc2O)cc1 MOL36439
-Cc1ccc(-c2n[nH]c(=O)n2N=Cc2ccc([N+](=O)[O-])cc2)cc1 MOL36440
-O=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccccc1 MOL36441
-Cc1ccc(C=C2N=C(NN=Cc3ccccc3)NC2=O)cc1 MOL36442
-O=C1NC(NN=Cc2ccccc2)=NC1=Cc1ccc(Cl)cc1 MOL36443
-O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccccc1 MOL36444
-Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1 MOL36445
-COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1 MOL36446
-O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1 MOL36447
-O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccccc1 MOL36448
-Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1 MOL36449
-COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1 MOL36450
-O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1 MOL36451
-O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccccc1 MOL36452
-Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1 MOL36453
-COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)C(O)CO)NC2=O)cc1 MOL36454
-O=C1NC(NN=CC(O)C(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1 MOL36455
-O=C1NC(NN=CC(O)C(O)C(O)CO)=NC1=Cc1ccccc1 MOL36456
-Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O)cc1 MOL36457
-COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O)cc1 MOL36458
-O=C1NC(NN=CC(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1 MOL36459
-O=C1NC(NN=CC(O)C(O)C(O)CO)=NC1=Cc1ccccc1 MOL36460
-Cc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O)cc1 MOL36461
-COc1ccc(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O)cc1 MOL36462
-O=C1NC(NN=CC(O)C(O)C(O)CO)=NC1=Cc1ccc(Cl)cc1 MOL36463
-COc1ccc(N=C(C)C(C)=Nc2ccc(OC)cc2)cc1 MOL36464
-CC(=Nc1ccncc1)C(C)=Nc1ccncc1 MOL36465
-CC(=NN=Cc1ccccn1)C(C)=NN=Cc1ccccn1 MOL36466
-CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1 MOL36467
-CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1 MOL36468
-CC(=NN=Cc1ccccn1)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=Cc1ccccn1 MOL36469
-CC(=NN)C(C)=NN=C(C)C(C)=NN MOL36470
-CC(=NN)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN MOL36471
-CC(=NN)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN=C(C)C(C)=NN MOL36472
-C(=NN=Cc1ccccn1)c1ccccn1 MOL36473
-C=Cc1nc(C#N)c(N)o1 MOL36474
-N#Cc1nc(C=Cc2ccccc2)oc1N MOL36475
-CC(=O)NCc1nc(C#N)c(N)o1 MOL36476
-CC(CCc1nc(C#N)c(N)o1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C MOL36477
-CC(CCc1nc(C#N)c(N)o1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C MOL36478
-CC(=O)c1nc(C#N)c(N)o1 MOL36479
-COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1 MOL36480
-COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 MOL36481
-COc1cccc(CC2C(=O)NC(=O)NC2=O)c1 MOL36482
-O=C1NC(=O)C(Cc2cccc(OCc3ccccc3)c2)C(=O)N1 MOL36483
-O=C1NC(=O)C(Cc2cccc(Cl)c2)C(=O)N1 MOL36484
-COc1ccc(CC2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1 MOL36485
-COc1cc(CC2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 MOL36486
-COc1ccc(CC2C(=O)NC(=O)NC2=O)cc1OC MOL36487
-CC(=O)OCCOCN1C(=O)CC(=O)NC1=O MOL36488
-CC(=O)OCCOCN1C(=O)NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C1=O MOL36489
-CC(C)(C)OC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1 MOL36490
-Cc1cn(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O MOL36491
-Nc1ncnc2c1ncn2C(=O)NC12CC3CC(CC(C3)C1)C2 MOL36492
-CC1(C)OC2OC(C(COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])C(OC(=O)c3ccccc3)C2O1 MOL36493
-CC1(C)OC2OC(C(COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])C(OC(=O)c3ccccc3)C2O1 MOL36494
-CC(=O)NCC1OC2COC(c3ccccc3)OC2C(NC(=O)c2ccccc2)C1OC(=O)c1ccccc1 MOL36495
-CC(=O)NCC1OC2COC(c3ccccc3)OC2C2N=C(c3ccccc3)OC12 MOL36496
-CC(=O)N1CC(=O)N2C(=O)C(=Cc3ccc(Cl)cc3)N=C12 MOL36497
-N=C(N)NCCC(NC(=O)OCCCCCn1ccc(=O)[nH]c1=O)C(=O)O MOL36498
-COc1ccccc1C(=NOCCC(=O)O)c1cccs1 MOL36499
-COc1ccc(C(=NOCCCC(=O)O)c2cccs2)cc1 MOL36500
-Clc1ccc(C2=NCON=C2c2ccc(Cl)cc2)cc1 MOL36501
-Nc1cnc2c(c1)c(=O)nc1n2CCS1 MOL36502
-CCCCSC(=C(C#N)C(N)=O)c1cc2c([nH]1)CCCC2 MOL36503
-O=C(OCC1OC(c2nn[nH]n2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1 MOL36504
-CC1CCC(C(C)C)C(Oc2nnc(C3OC(CO)C(O)C3O)o2)C1 MOL36505
-CC(=O)OC1CCC2(C)C(=CC(c3ccc(O)cc3)C3C2CCC2(C)C(OC(C)=O)CCC32)C1 MOL36506
-CC1(C)OCC(C(O)C2C=CC(=O)S2)O1 MOL36507
-COc1ccc(CC(CO)NC2=C(C#N)CCC2)cc1 MOL36508
-O=[N+]([O-])c1ccc(-n2cnc3c(O)nc(O)nc32)nc1 MOL36509
-Nc1ncnc2c1ncn2-c1ccc([N+](=O)[O-])cn1 MOL36510
-CC12CCC3c4ccc(OS(N)(=O)=O)cc4CCC3C1CCC2=O MOL36511
-Cc1ccc(-n2nncc2[Si](C)(C)C)s1 MOL36512
-Cc1ccc(-n2cc([Si](C)(C)C)nn2)s1 MOL36513
-Cn1nc2ccc([N+](=O)[O-])c(Cn3nnc4ccccc43)c2n1 MOL36514
-NC(Cc1ccccc1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1 MOL36515
-CCCCOC(=O)C1CN2C=CC=NC2=NC1(C(F)(F)F)C(F)(F)F MOL36516
-CCCCOC(=O)C1CN2C(=NC1(C(F)(F)F)C(F)(F)F)Sc1ccccc12 MOL36517
-CC(=O)C=C1Nc2sc(C)c(C)c2C(=O)S1 MOL36518
-Cc1nc2c(O)nc3ccccc3c2o1 MOL36519
-Cc1nc2c(=O)n(-c3ccccc3)c3ccccc3c2o1 MOL36520
-Cc1nc2c(=O)n3c4c(cccc4c2o1)CCC3 MOL36521
-CN(C)CC(O)CNC(=O)Nc1ccccc1 MOL36522
-O=C(CCc1ccccc1)ON1C(=S)NC(c2ccccc2)(c2ccccc2)C1=S MOL36523
-CCCCCCCCCCCCCCCC(=O)ON1C(=S)NC(C)(c2ccccc2)C1=S MOL36524
-O=C(CCc1ccccc1)ON1C(=S)C(c2ccccc2)(c2ccccc2)N=C1Sc1ccccc1 MOL36525
-COc1ccc(-c2nc3ccccc3c(=S)n2OC(C)=O)cc1 MOL36526
-CC(=O)On1c(-c2ccccc2)nc2ccccc2c1=S MOL36527
-O=C(CCc1ccccc1)On1c(-c2ccccc2)nc2ccccc2c1=S MOL36528
-On1c(-c2ccccc2)nc2ccccc2c1=S MOL36529
-O=c1[nH]c(=O)n(C2OC(CO)C(O)C(F)C2O)cc1F MOL36530
-Cc1nn(C2OC(CO)C(O)C(F)C2O)c(=O)[nH]c1=O MOL36531
-O=c1cnn(C2OC(CO)C(O)C(F)C2O)c(=O)[nH]1 MOL36532
-[Cl-].c1ccc([PH]2(c3ccccc3)CCN[Pt-2]23NCC[PH]3(c2ccccc2)c2ccccc2)cc1 MOL36533
-C[N+]1(C)CC[PH](c2ccccc2)(c2ccccc2)[Pd-2]12[N+](C)(C)CC[PH]2(c1ccccc1)c1ccccc1.[Cl-] MOL36534
-N#Cc1c(S)nc(-c2ccccc2)nc1SCc1ccccc1 MOL36535
-N#CC(=C1N=C(c2ccccc2O)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 MOL36536
-N#Cc1c(-c2ccccc2)nc(-c2ccccc2)sc1=S MOL36537
-O=C1C=CC=CC1=C1N=C(c2ccccc2OCC(=O)c2ccccc2)SS1 MOL36538
-O=C1C=CC=CC1=C1N=C(c2ccccc2OCC(=O)c2ccc(Br)cc2)SS1 MOL36539
-COc1ccccc1-c1n[nH]c(-c2ccccc2O)n1 MOL36540
-Oc1ccccc1-c1n[nH]c(-c2ccccc2O)n1 MOL36541
-CCOC(=O)c1c(SC)nc(-c2ccc(Cl)cc2)sc1=N.[O-][Cl+3]([O-])([O-])O MOL36542
-CCOC(=O)C1=CNC2=NC3CCCCC3N2C1=O MOL36543
-CCOC(=O)C1=CN2C(=NC3CCCCC32)NC1=O MOL36544
-CCOC(=O)C1=C(N)N2C(=NC3CCCCC32)N=C1 MOL36545
-C1=C(c2ccccc2)NC2=NC3CCCCC3N2C1c1ccccc1 MOL36546
-Clc1ccc(C2=CC(c3ccccc3)N3C(=NC4CCCCC43)N2)cc1 MOL36547
-Clc1ccc(C2=C(c3ccccc3)C(c3ccc(Cl)cc3)N3C(=NC4CCCCC43)N2)cc1 MOL36548
-CC1=CC(c2ccccc2)n2c(nc3cc4ccccc4cc32)N1 MOL36549
-c1ccc(C2C3=C(CCCC3)Nc3nc4cc5ccccc5cc4n32)cc1 MOL36550
-CCCCN1C(CO)C(O)C(O)C(O)C1CO MOL36551
-Cc1c(C#N)c(=N)oc2ccccc12 MOL36552
-Cc1cc2oc(=N)c(C#N)c(C)c2cc1C MOL36553
-C=C1c2ccccc2Oc2nc3nc(N)c(C#N)c(N)c3c(N)c21 MOL36554
-N#Cc1c(N)cc2c3ccccc3oc3c(C#N)c(N)nc1c32 MOL36555
-CC12NC(=C(C#N)C#N)C(C#N)=C3NC(N)=C(C#N)C(=C31)Oc1ccccc12 MOL36556
-Cc1c(-c2[nH]c(N)c(C#N)c(=N)c2C#N)c(=O)oc2ccccc12 MOL36557
-N#Cc1c(N)nc2c3c1NC(=O)C(C(N)=O)C3c1ccccc1O2 MOL36558
-NC1=CC(=O)NC(=O)c2c(c3ccccc3oc2=O)C1 MOL36559
-CCOC(=O)CC1(N)CC2c3ccccc3OC(=O)C2C(=O)N1 MOL36560
-Cc1c(C(N)=C(C#N)C#N)c(=N)oc2ccccc12 MOL36561
-COc1cc(OC)cc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)c1 MOL36562
-COc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 MOL36563
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1 MOL36564
-O=C(O)c1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1 MOL36565
-COc1cc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc(OC)c1OC MOL36566
-CCOC(=O)C(C)c1nc2cc(C(F)(F)F)ccc2nc1O MOL36567
-CCOC(=O)C(C)c1nc2ccc(C(F)(F)F)cc2nc1O MOL36568
-CCOC(=O)C(C)c1nc2cc(F)c(F)cc2nc1O MOL36569
-CCOC(=O)Cc1nc2cc(F)c(F)cc2nc1O MOL36570
-CCOC(=O)C=C1Nc2cc(F)c(F)cc2NC1=O MOL36571
-CCc1nc2ccc(C(F)(F)F)cc2nc1O MOL36572
-CCc1nc2cc(F)ccc2nc1O MOL36573
-Cc1nc2cc(F)c(F)cc2nc1O MOL36574
-Cc1nc2cc(C(F)(F)F)ccc2nc1O MOL36575
-CC(C)CC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-] MOL36576
-CC=CC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-] MOL36577
-c1cnc2c(SCC3CCCN4CCCCC34)cccc2c1 MOL36578
-C[N+]12CCCCC1C(COC(=O)COc1ccc(Cl)cc1Cl)CCC2.[I-] MOL36579
-Cl.O=C(OCC1CCCN2CCCCC12)c1ccc(Cl)cc1 MOL36580
-CCCCCCCCCCCCCCCC(=O)OCC1CCC[N+]2(C)CCCCC12.[I-] MOL36581
-O=C(NCC1CCCN2CCCCC12)C(Cl)(Cl)Cl MOL36582
-C[N+]12CCCCC1C(CN1C(=O)CCCC1=O)CCC2.[I-] MOL36583
-CN1CCCCC1c1ccc(-c2cccnc2)nc1.Cl MOL36584
-COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 MOL36585
-Nc1cccc(OCC2CCCN3CCCCC23)c1 MOL36586
-CN(C)C(=O)OCOP(=O)(OCOC(=O)N(C)C)OCC1CCC(n2ccc(=O)[nH]c2=O)O1 MOL36587
-CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(n2cc(F)c(=O)[nH]c2=O)CC1O MOL36588
-Cc1cn(C2CCC(COP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O MOL36589
-Cc1cn(COCCOP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)c(=O)[nH]c1=O MOL36590
-O=C(CN1CCCCC1)OCOP(=O)(OCOC(=O)CN1CCCCC1)OCC1CCC(n2ccc(=O)[nH]c2=O)O1 MOL36591
-CC(C)(C)C(=O)OC1CCOP(=O)(OCC2OC(n3cc(F)c(=O)[nH]c3=O)CC2O)O1 MOL36592
-CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1OC(N2C=CC(N)NC2=O)CC1F MOL36593
-CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OCC1CCC(n2ccc(=O)[nH]c2=O)O1 MOL36594
-CC(C)(C)C(=O)OCOP(=O)(O)OCC1CCC(N2C=CC(N)NC2=O)O1 MOL36595
-COc1ccc(C(Nc2nc(O)c3ncn(COCCOP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)c3n2)(c2ccccc2)c2ccccc2)cc1 MOL36596
-CC(C)(C)C(=O)OCOP(=O)(OCCOCn1cnc2c(O)nc(N)nc21)OCOC(=O)C(C)(C)C MOL36597
-Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2 MOL36598
-CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2 MOL36599
-CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)c(C(=O)O)c3CCCCC)c2c(=O)o1 MOL36600
-COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=O)c2O)c(C)c1O MOL36601
-COCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)OC)c(OCOC)c2C)c(OCOC)c1C=O MOL36602
-COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=NO)c2O)c(C)c1O MOL36603
-COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(C=NNc3ccccc3)c2O)c(C)c1O MOL36604
-COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(OC)c1C MOL36605
-COCC1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O MOL36606
-COCC1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=NNC(=O)c1ccncc1 MOL36607
-N=C1NN(c2ccccc2)C2(O)c3ccncc3C3=NN(c4ccccc4)C(=O)C132 MOL36608
-CC1=C(C#N)C(=O)N(N=Cc2ccc(Cl)cc2)C(=O)C1=c1oc(=C2C(=O)N(N=Cc3ccc(Cl)cc3)C(=O)C(C#N)=C2C)c2nccnc12 MOL36609
-CCOC(=O)C1(C#N)C(=O)c2cc[n+](CC[n+]3ccc4c(c3)C(=O)C(C#N)(C(=O)OCC)C4=O)cc2C1=O.[Br-] MOL36610
-CC(=O)c1c2n(n(-c3ccccc3)c1=O)C(=O)c1nccnc1-2 MOL36611
-CC(=O)O.CC(=O)OC(=C(C#N)C#N)c1nccnc1C(C)=O MOL36612
-CC(=O)OC(=C(C#N)C#N)c1nccnc1C(=O)O MOL36613
-CC(=O)O.CCOC(=O)C(C(N)=O)=C(O)c1cnccn1 MOL36614
-CCOC(=O)C1(C(N)=O)C(=O)c2ccncc2C1=O MOL36615
-N#CC1(C#N)C(=O)c2ccncc2C1=O MOL36616
-CCOC(=O)C(C(C)=O)=C(OC(C)=O)c1ccncc1C(=O)O MOL36617
-CCOC(=O)C1(C(C)=O)OC(=O)c2cnccc21 MOL36618
-CCOC(=O)C1(C#N)OC(=O)c2cnccc21 MOL36619
-O=C(O)c1cnccc1-c1cc(=O)[nH]n1-c1ccccc1 MOL36620
-N#CC1C(=O)N(c2ccccc2)NC12OC(=O)c1ccncc12 MOL36621
-N=C1NN(c2ccccc2)C2(c3ccncc3C(=O)O)C1C(=N)NN2c1ccccc1 MOL36622
-CCCCCCSCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O MOL36623
-O=C(C=Cc1ccccc1)Nc1ccccc1SCCCCl MOL36624
-CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1 MOL36625
-CN1CN(c2ccccc2)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O MOL36626
-CN1CN(c2ccccc2)C2(CCNCC2)C1=O MOL36627
-O=C1CC(c2ccccc2)Sc2ccccc2N1 MOL36628
-Cc1cc(N2CCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] MOL36629
-CC(=O)OC1CCn2c1nc1cc([N+](=O)[O-])c(C)cc12 MOL36630
-CC(=O)Nc1cc2nc3n(c2cc1C)CCC3OC(C)=O MOL36631
-CC(=O)Nc1c(C)cc2c(nc3n2CCC3OC(C)=O)c1[N+](=O)[O-] MOL36632
-CC(=O)Nc1c(C)cc2c(nc3n2CCC3O)c1[N+](=O)[O-] MOL36633
-Cc1ccc(Cc2nn(C)c(=O)n2N)cc1 MOL36634
-CCc1n[nH]c(=O)n1CCO MOL36635
-O=c1[nH]nc(Cc2ccccc2)n1CCO MOL36636
-O=c1[nH]nc(Cc2ccc(Cl)cc2)n1CCO MOL36637
-O=c1[nH]nc(Cc2ccc([N+](=O)[O-])cc2)n1CCO MOL36638
-O=c1[nH]nc(Cc2ccccc2)n1CCCl MOL36639
-CC(=O)OCCn1c(Cc2ccc(C)cc2)nn(C(C)=O)c1=O MOL36640
-CC(=O)OCCn1c(Cc2ccc(Cl)cc2)nn(C(C)=O)c1=O MOL36641
-CC(=O)OCCn1c(Cc2ccc([N+](=O)[O-])cc2)nn(C(C)=O)c1=O MOL36642
-O=C1CCC(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL36643
-Nc1nc(Cl)cc(Oc2ccc(Cl)cc2)n1 MOL36644
-Nc1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1 MOL36645
-Clc1cc(Cl)nc(Nc2ccc3c(c2)CCC3)n1 MOL36646
-CCCCc1ccc(NC(=N)N)cc1.O=[N+]([O-])O MOL36647
-Cc1ccc(OCC2OC(n3cnc4c(N(C)C)nc(Br)nc43)CC2Oc2ccc(C)cc2)cc1 MOL36648
-Nc1nc(Br)nc2ncn(C3CC(O)C(CO)O3)c12 MOL36649
-Cc1ccc(OCC2OC(n3cnc4c(Cl)nc(N)nc43)CC2Oc2ccc(C)cc2)cc1 MOL36650
-Sc1nc(S)c2nc[nH]c2n1 MOL36651
-CSc1nc(SC)c2nc[nH]c2n1 MOL36652
-CS(=O)(=O)c1nc(O)c2nc[nH]c2n1 MOL36653
-Cc1ccc(Nc2nc(O)nc(O)c2N=O)cc1 MOL36654
-CCCCc1ccc(Nc2nc(SC)c3nc[nH]c3n2)cc1 MOL36655
-Oc1cc(N=Nc2ccc(Cl)c(Cl)c2)nc(O)n1 MOL36656
-CCCCc1ccc(Nc2nc(S)c3nc[nH]c3n2)cc1 MOL36657
-CCCCc1ccc(Nc2nc(N)c3nc[nH]c3n2)cc1 MOL36658
-Nc1ccc(Cc2c(N)nc(O)nc2O)cc1 MOL36659
-CSc1ccc(Nc2cc(O)nc(O)n2)cc1 MOL36660
-CN(Cc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1 MOL36661
-Nc1ccc(Nc2cc(O)nc(O)n2)cc1Cl MOL36662
-Cn1c(=S)[nH]c(N)c(Cc2ccccc2)c1=O MOL36663
-Nc1nc(Cl)nc(NCc2ccccc2)n1 MOL36664
-CC(=O)Nc1ccc(Nc2nc(O)nc(O)n2)cc1 MOL36665
-COc1cc(Nc2ccc3c(c2)CCC3)nc(OC)n1 MOL36666
-Cc1ccc(Nc2nc(O)nc(O)n2)cc1N MOL36667
-O=C(O)Cn1cnc2c(O)nc(Nc3ccccc3)nc21 MOL36668
-Cc1ccc(OCC2OC(n3cnc4nc(N)nc(Cl)c43)CC2Oc2ccc(C)cc2)cc1 MOL36669
-Oc1nc(Nc2ccc(F)c(Cl)c2)nc2[nH]cnc12 MOL36670
-C=CCn1cnc2c(O)nc(Nc3ccccc3)nc21 MOL36671
-OCCSCC(O)Cn1cnc2c(O)nc(Nc3ccccc3)nc21 MOL36672
-COC(=O)c1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1 MOL36673
-Cc1ccc(OCC2OC(n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)CC2Oc2ccc(C)cc2)cc1 MOL36674
-N#Cc1ccc(Nc2nc(O)c3nc[nH]c3n2)cc1 MOL36675
-Oc1nc(Nc2cccc(CC(F)(F)F)c2)nc2[nH]cnc12 MOL36676
-Oc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)nc2[nH]cnc12 MOL36677
-Fc1ccc(Nc2nc(Cl)c3nc[nH]c3n2)cc1Cl MOL36678
-Cc1ccc(OCC2OC(n3cnc4c(Cl)ncnc43)CC2Oc2ccc(C)cc2)cc1 MOL36679
-Cc1ccc(OCC2OC(n3cnc4c(Cl)ncnc43)CC2Oc2ccc(C)cc2)cc1 MOL36680
-CSc1ncnc2c1ncn2C1CC(Oc2ccc(C)cc2)C(COc2ccc(C)cc2)O1 MOL36681
-Nc1nc(O)cc(Nc2cc(F)c(Cl)c(F)c2)n1 MOL36682
-Cc1ccc(OCC2OC(n3cnc4nc(Cl)nc(Cl)c43)CC2Oc2ccc(C)cc2)cc1 MOL36683
-CSc1nc(Br)nc2c1ncn2C1CC(Oc2ccc(C)cc2)C(COc2ccc(C)cc2)O1 MOL36684
-CSc1nc(Br)nc2ncn(C3CC(Oc4ccc(C)cc4)C(COc4ccc(C)cc4)O3)c12 MOL36685
-CSc1nc(SC)c2ncn(C3CC(Oc4ccc(C)cc4)C(COc4ccc(C)cc4)O3)c2n1 MOL36686
-CCNc1nc(O)c2ncn(C3CC(O)C(COP(=O)(O)O)O3)c2n1.N MOL36687
-Oc1nc(Nc2ccc(Cl)cc2)nc2[nH]cnc12 MOL36688
-Oc1ccc(Cl)cc1C1=NC(N=Cc2ccccc2)=NC(c2ccccc2)C1 MOL36689
-O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1 MOL36690
-CC(=O)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)=O)cc2)cc1 MOL36691
-CC1=CC(Nc2ccc(S(=O)(=O)c3ccc(NC4=NCCNC(C)=C4)cc3)cc2)=NCCN1 MOL36692
-O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1[N+](=O)[O-] MOL36693
-CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 MOL36694
-Cc1nc2ccccc2c(=O)n1N=Cc1ccc(N(C)C)cc1 MOL36695
-COc1ccc(C2=C(N)c3cc(OC)ccc3C2=O)cc1 MOL36696
-COc1ccc(C2=C(N)c3ccccc3C2=O)cc1 MOL36697
-COc1ccc2c(c1)C(N)=C(c1ccccc1)C2=O MOL36698
-COc1ccc(C2=C(N)c3c(Cl)cccc3C2=O)cc1 MOL36699
-COc1ccc(C2=C(N)c3ncccc3C2=O)cc1 MOL36700
-COc1ccc(C2=C(N)c3c(OC)cccc3C2=O)cc1 MOL36701
-COc1ccc2c(c1)C(N)=C(c1ccccc1OC)C2=O MOL36702
-CCOC(=O)c1cc2cc(Cc3ccc4[nH]c(C(=O)OCC)cc4c3)ccc2[nH]1 MOL36703
-c1cc2cc(Cc3ccc4[nH]ccc4c3)ccc2[nH]1 MOL36704
-CCOC(=O)c1cc2c(ccc3cc(C(=O)OCC)[nH]c32)[nH]1 MOL36705
-Brc1ccc(-c2[nH]c3ccccc3c2N=Nc2ccccc2)cc1 MOL36706
-CCOC(=O)c1cc2cc(C)cc(C(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1 MOL36707
-CCOC(=O)c1cc2c(C(=O)c3ccc([N+](=O)[O-])cc3)c(C(C)=O)ccc2[nH]1 MOL36708
-CC1(C)C2CCC1(C)C(OC(=O)NNC(=O)OC1CC3CCC1(C)C3(C)C)C2 MOL36709
-O=c1c2nc3ccccc3c(=O)n2ncn1-c1ccccc1Cl MOL36710
-O=C(Nn1cnn2c(=O)c3ccccc3nc2c1=O)c1ccccc1 MOL36711
-CCCN1C(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O MOL36712
-Nc1nc(O)c2c(n1)NC(c1ccccc1)=CC2c1ccc(Cl)cc1 MOL36713
-Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 MOL36714
-Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1 MOL36715
-Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)c1 MOL36716
-Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(N)(=O)=O)cc2)cc1 MOL36717
-Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N)cc2)cc1 MOL36718
-Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCC2)cc1 MOL36719
-Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCCCC2)cc1 MOL36720
-O=S(=O)(Nc1nc2ccccc2nc1N1CCCCCC1)c1ccccc1 MOL36721
-CC(=O)Nc1ccc(S(=O)(=O)[N-]C2C(=O)c3ccccc3C(=O)C2[n+]2ccccc2)cc1 MOL36722
-Cc1ccc(S(=O)(=O)[N-]C2C(=O)c3ccccc3C(=O)C2[n+]2cccc(C(N)=O)c2)cc1 MOL36723
-Cc1ccc(S(=O)(=O)NC2C(=O)c3ccccc3C(=O)C2n2ccnc2)cc1 MOL36724
-Cc1ccc(S(=O)(=O)NC2C(=O)c3ccccc3C(=O)C2n2cnc3ccccc32)cc1 MOL36725
-O=C1C(NS(=O)(=O)c2ccccc2)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc21 MOL36726
-O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc2ccccc12)c1ccccc1 MOL36727
-O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2ccccc2c1)c1ccccc1 MOL36728
-Nc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1 MOL36729
-O=C1C(NS(=O)(=O)c2ccccc2)=C(n2ccnc2)C(=O)c2ccccc21 MOL36730
-O=C1C(NS(=O)(=O)c2ccccc2)=C(n2cnc3ccccc32)C(=O)c2ccccc21 MOL36731
-C[n+]1cn(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c2ccccc21 MOL36732
-C[n+]1cn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c2ccccc21 MOL36733
-O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccccc1)c1ccccc1 MOL36734
-O=C1C([N-]S(=O)(=O)c2ccccc2)=C([n+]2ccc(Cc3ccccc3)cc2)C(=O)c2ccccc21 MOL36735
-O=C(c1ccccc1)c1cc[n+](C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 MOL36736
-NC(=O)c1ccc[n+](C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 MOL36737
-COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccccc1)=NNC(=O)c1cc(Br)ccc1O MOL36738
-COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C)cc1)=NNC(=O)c1cc(Br)ccc1O MOL36739
-COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(Cl)cc1)=NNC(=O)c1cc(Br)ccc1O MOL36740
-COc1cccc(N=NC(=NNC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)c1 MOL36741
-COc1ccc(N=NC(=NNC(=O)c2cc(Br)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1 MOL36742
-COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc([N+](=O)[O-])cc1)=NNC(=O)c1cc(Br)ccc1O MOL36743
-COc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1ccc(C(=O)O)cc1)=NNC(=O)c1cc(Br)ccc1O MOL36744
-Cc1cccc(N=NC(=NNC(=O)c2cc(Cl)ccc2O)c2ccc(N(CCC#N)CCC#N)cc2C)c1 MOL36745
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1cccc(Cl)c1)=NNC(=O)c1cc(Cl)ccc1O MOL36746
-Cc1cc(N(CCC#N)CCC#N)ccc1C(N=Nc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cc(Cl)ccc1O MOL36747
-O=C(NCCCCNCCCNC(=O)C(F)(F)F)C(F)(F)F.O=C(O)C(F)(F)F MOL36748
-NCCCCN(CCCN)C(=O)OCc1ccccc1 MOL36749
-CC(=O)NCCCCN(CCCNC(C)=O)C(=O)OCc1ccccc1 MOL36750
-CC(=O)NCCCCNCCCNC(C)=O.Cl MOL36751
-CC(C)(C)OC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F MOL36752
-CC(C)(C)OC(=O)N(CCCN)CCCCN MOL36753
-CC(C)(C)OC(=O)N(CCCCNC(=O)c1ccccc1)CCCNC(=O)c1ccccc1 MOL36754
-O=C(NCCCCNCCCNC(=O)c1ccccc1)c1ccccc1 MOL36755
-CC(C)(C)OC(=O)N(CCCCNC(=O)OCc1ccccc1)CCCNC(=O)OCc1ccccc1 MOL36756
-O=C(NCCCCNCCCNC(=O)OCc1ccccc1)OCc1ccccc1 MOL36757
-CC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F MOL36758
-O=C(NCCCCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1)C(F)(F)F MOL36759
-CC(C)(C)OC(=O)N(CCCCNCc1ccc2ccccc2c1)CCCNCc1ccc2ccccc2c1 MOL36760
-NCCCCN(CCCN)Cc1ccccc1 MOL36761
-O=C(c1ccccc1)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F MOL36762
-NCCCCN(CCCN)C(=O)c1ccccc1 MOL36763
-O=C(NCCCCN(CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)C(F)(F)F MOL36764
-NCCCCN(CCCN)Cc1ccc2ccccc2c1.O=C(O)C(F)(F)F MOL36765
-O=C(Cc1ccccc1)NCCCN(CCCCN(CCCNC(=O)Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL36766
-O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1)Cc1ccccc1)C(F)(F)F MOL36767
-NCCCN(CCCCN(CCCN)Cc1ccccc1)Cc1ccccc1.O=C(O)C(F)(F)F MOL36768
-O=C(OCc1ccccc1)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCc1ccccc1)CCCNC(=O)C(F)(F)F MOL36769
-NCCCN(CCCCN(CCCN)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 MOL36770
-O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F MOL36771
-NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1.O=C(O)C(F)(F)F MOL36772
-O=C(NCCCN(CCCCN(CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(F)(F)F MOL36773
-CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F MOL36774
-CC(C)(C)OC(=O)N(CCCN)CCCCN(CCCN)C(=O)OC(C)(C)C MOL36775
-COC(=O)c1ccc(NCc2c(O)ccc(O)c2Br)cc1Cl MOL36776
-CSc1nc(O)c(C#N)c(-c2ccccc2)n1 MOL36777
-CSc1nc(O)c(C#N)c(-c2ccc(C)cc2)n1 MOL36778
-CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 MOL36779
-CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccccc2)n1 MOL36780
-CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccc(OC)cc2)n1 MOL36781
-CCOC(=O)CSc1nc(O)c(C#N)c(-c2ccc(Cl)cc2)n1 MOL36782
-CC(=O)OCC1OC(Sc2nc(-c3ccccc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL36783
-COc1ccc(-c2nc(SC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1 MOL36784
-CC(=O)OCC1OC(Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL36785
-CC(=O)OCC1OC(Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL36786
-COc1ccc(-c2nc(SC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=O)c2C#N)cc1 MOL36787
-CC(=O)OCC1OC(Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL36788
-CC(=O)OCC1OC(Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL36789
-N#Cc1c(-c2ccccc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=O MOL36790
-COc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1 MOL36791
-Cc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1 MOL36792
-N#Cc1c(-c2ccccc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=O MOL36793
-COc1ccc(-c2[nH]c(=O)n(C3OC(CO)C(O)C(O)C3O)c(=O)c2C#N)cc1 MOL36794
-N#Cc1c(-c2ccc(Cl)cc2)[nH]c(=O)n(C2OC(CO)C(O)C(O)C2O)c1=O MOL36795
-CCOC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1 MOL36796
-O=C(O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1 MOL36797
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1)C(=O)OCC MOL36798
-O=C(O)CCC(NC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1)C(=O)O MOL36799
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC MOL36800
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1)C(=O)OCC MOL36801
-COc1cc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc(OC)c1OC MOL36802
-CCOC(=O)CCC(NC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)OCC MOL36803
-Cc1c2oc(=O)c(C#N)cc2c2ccccn12 MOL36804
-CCN(CC)c1ccc2c(c1)Oc1ccc(N(C(C)=O)c3ccccc3)cc1C21OC(=O)c2ccccc21 MOL36805
-[B+2][N+]12CC=C(COC(=O)C(O)(C(C)C)C(C)O)C1C(O)CC2 MOL36806
-CN1CC=C(OP(=O)(NCc2ccccc2)N(CCCl)CCCl)CC1.O=C(O)C(=O)O MOL36807
-O=C1Nc2cc([N+](=O)[O-])ccc2NC1=CC(=O)c1ccc(Cl)cc1 MOL36808
-Clc1ccc(-c2cc3nc4ccccc4nc3o2)cc1 MOL36809
-Cc1ccc(C(=O)C=C(O)C(=O)NN=C(c2ccccc2)c2ccccc2)cc1 MOL36810
-O=C1Nc2ccccc2NC1C1OC(c2ccccc2)=CC1=O MOL36811
-CC(C(=O)O)C1Nc2ccccc2NC1=O MOL36812
-CN(C(=O)CCC(=O)O)c1ccccc1C(=O)O MOL36813
-O=C1Nc2ccccc2C1=NNC(=O)C(O)(c1ccccc1)c1ccccc1 MOL36814
-COc1ccc(NC(=O)CC(=O)N2N=C(N(c3ccccc3)c3ccccc3)CC2c2ccccc2)cc1 MOL36815
-Cc1ccc(NC(=O)CC(=O)N2N=C(N(c3ccccc3)c3ccccc3)CC2c2ccccc2)cc1 MOL36816
-O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1)Nc1ccc(Cl)cc1 MOL36817
-COc1ccccc1NC(=O)CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1 MOL36818
-O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1)Nc1cccc(Cl)c1 MOL36819
-O=C(CC(=O)N1N=C(N(c2ccccc2)c2ccccc2)CC1c1ccccc1)Nc1ccccc1 MOL36820
-COc1ccc(NC(=O)CC(=O)N2N=C(N3c4ccccc4Sc4ccccc43)CC2c2ccccc2)cc1 MOL36821
-Cc1cccc(NC(=O)CC(=O)N2N=C(N3c4ccccc4Sc4ccccc43)CC2c2ccccc2)c1 MOL36822
-COc1ccccc1NC(=O)CC(=O)N1N=C(N2c3ccccc3Sc3ccccc32)CC1c1ccccc1 MOL36823
-O=C(CC(=O)N1N=C(N2c3ccccc3Sc3ccccc32)CC1c1ccccc1)Nc1ccccc1Cl MOL36824
-NNC(=O)CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CC(=O)NN)cc2)cc1 MOL36825
-Cc1oc(N)c(C#N)c1C MOL36826
-N#Cc1c(N)oc(-c2ccccc2)c1-c1ccccc1 MOL36827
-Cc1oc2nc(N(C)C)nc(Cl)c2c1C MOL36828
-Cc1oc2nc(N(C)C)nc(NN)c2c1C MOL36829
-Cc1oc2nc(N(C)C)n3cnnc3c2c1C MOL36830
-Cc1oc2nc(N(C)C)n3c(C)nnc3c2c1C MOL36831
-Cc1oc2nc(N(C)C)n3nnnc3c2c1C MOL36832
-CN(C)c1nc(Cl)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1 MOL36833
-CN(C)c1nc(NN)c2c(-c3ccccc3)c(-c3ccccc3)oc2n1 MOL36834
-CN(C)c1nc2oc(-c3ccccc3)c(-c3ccccc3)c2c2nncn12 MOL36835
-Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)oc3nc(N(C)C)n12 MOL36836
-CN(C)c1nc2oc(-c3ccccc3)c(-c3ccccc3)c2c2nnnn12 MOL36837
-CCC1CC(O)C2C(O)C(O)CN2C1 MOL36838
-CCC1CC(O)C2C(O)C(O)CN2C1 MOL36839
-CCCCC1CCN2CC(O)C(O)C2C1O MOL36840
-CCCCC1CCN2CC(O)C(O)C2C1O MOL36841
-Cc1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc2O)c1 MOL36842
-Cc1ccc(O)c(C(c2cc(C)ccc2O)c2cc([N+](=O)[O-])ccc2O)c1 MOL36843
-CC(C)(C)c1ccc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2cc(C(C)(C)C)ccc2O)c1 MOL36844
-O=C1CC(c2ccsc2)n2cccc21 MOL36845
-O=C1CC(c2cccc(Cl)c2)n2cccc21 MOL36846
-COc1cc2c(c(OC)c1OC)C(=O)C1OC(=O)NC21 MOL36847
-O=C1CC(c2cccc(Br)c2)n2cccc21 MOL36848
-COc1cccc(C2CC(=O)c3cccn32)c1 MOL36849
-O=C1CC(c2ccccc2)n2cccc21 MOL36850
-COc1cc2c(c(OC)c1OC)C(=O)CC2N.Cl MOL36851
-CC(=O)c1c(-c2ccccc2)c(-c2ccc(OCCN(C)C)cc2)n2ccccc12 MOL36852
-Cc1c(-c2ccccc2)c(-c2ccc(OCCN(C)C)cc2)n2ccccc12 MOL36853
-[N-]=[N+]=N[IH2]1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21 MOL36854
-[N-]=[N+]=N[IH2]1OC(=O)c2ccccc21 MOL36855
-CCCC[IH2](O)OS(=O)(=O)c1ccc(C)cc1 MOL36856
-COC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1Cl MOL36857
-CCCC[N+](CCCC)(CCCC)CCCC.O=S(=O)([O-])ON=C1c2ccccc2-c2ccccc21 MOL36858
-CC(CCC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5ccccc5[nH]4)CCC32)C1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL36859
-CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C(C(C)CCc4nc5cc(C)ccc5[nH]4)CCC32)C1 MOL36860
-COC(=O)CCCC(=O)C1=NN(c2ccc(Cl)cc2)Cc2ccccc2N1 MOL36861
-COC(=O)CCCC(=O)C(=NNc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl MOL36862
-COc1ccc(-c2nc(N3CCCC3)no2)cc1 MOL36863
-CC1(C)OC(=C(C#N)C#N)C(C#N)=C1C=Cc1ccncc1 MOL36864
-CC1=C(C#N)C(=C(C#N)C#N)OC1(C)Cc1ccccc1 MOL36865
-CN1N=C(c2ccccc2)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)N(C)N=C2c2ccccc2)C1=O MOL36866
-Cl.O=C(CN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(CCO)CC1 MOL36867
-CCOC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O MOL36868
-CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sccc3CCCCCCCCCCCC)s2)s1 MOL36869
-CCCCCCCCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(-c4cc(CCCCCCCCCCCC)c(-c5ccc(-c6ccc(-c7sccc7CCCCCCCCCCCC)s6)s5)s4)cc3CCCCCCCCCCCC)s2)s1 MOL36870
-COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)Sc1c2ssc1=O MOL36871
-CC(=O)[O-].COc1ccc(-[n+]2nc(S(=O)(=O)O)c(C=Cc3ccc(N(C)C)cc3)cc2C#N)cc1 MOL36872
-COc1ccc(C(OCC2OC(n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)CC2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 MOL36873
-O=c1nc(Oc2c(F)c(F)c(F)c(F)c2F)ccn1C1OC(CO)C(O)C1O MOL36874
-COC(=O)C1(NC(=O)c2ccccc2)CC1C=O MOL36875
-Nc1ccccc1-c1noc(=O)[nH]1 MOL36876
-O=c1onc2c3ccccc3ncn12 MOL36877
-CC(C=O)=NNc1cc(C)c2ccccc2n1 MOL36878
-COc1ccc2nc(NN=CC(C)=NNc3cc(C)c4cc(OC)ccc4n3)cc(C)c2c1 MOL36879
-COc1ccc2c(C)cc(NN=C(C)C=O)nc2c1 MOL36880
-CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ncsc1C2=O MOL36881
-Oc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCOc1c(cccc1Cc1cccc(c1O)C3)C2 MOL36882
-CS[c-]1c(C)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1=O MOL36883
-COc1ccc2[nH]cc(C(=O)C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 MOL36884
-Cn1c(=O)c2c(nc3n(C)c(=O)c4ccccc4n23)n(C)c1=O MOL36885
-Cn1c(=O)c2c(n(C)c1=O)n1c(=O)c3ccccc3nc1n2C MOL36886
-N#Cc1c(NC(=O)C(F)(F)F)sc2c3c(=O)c4ccccc4c(=O)c=3oc3ccccc3c12 MOL36887
-Cc1ccc2c(c1)C(C(=O)NC1C(=O)N3C1SC(C)(C)C3C(=O)O)OCCC2.[NaH] MOL36888
-CCn1c(SCC(=O)NN=Cc2ccccc2)nc2ccccc2c1=O MOL36889
-CCn1c(SCc2nnc(Nc3ccccc3)s2)nc2ccccc2c1=O MOL36890
-CCCCCC1OC1(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL36891
-O=c1oc2ccccc2c(O)c1Cc1ccccc1Cc1c(O)c2ccccc2oc1=O MOL36892
-O=c1oc2ccccc2c(O)c1Cc1cccc(Cc2c(O)c3ccccc3oc2=O)c1 MOL36893
-O=c1oc2ccccc2c(O)c1C(c1ccc2ccccc2c1)c1c(O)c2ccccc2oc1=O MOL36894
-O=c1oc2ccccc2c(O)c1C(c1ccc2c(c1)Cc1ccccc1-2)c1c(O)c2ccccc2oc1=O MOL36895
-O=c1oc2ccccc2c(O)c1C(c1ccc(OCc2ccccc2)cc1)c1c(O)c2ccccc2oc1=O MOL36896
-O=c1oc2ccccc2c(O)c1C(c1ccc(-c2ccccc2)cc1)c1c(O)c2ccccc2oc1=O MOL36897
-O=c1oc2ccccc2c(O)c1C(c1ccc(C=Cc2ccccc2)cc1)c1c(O)c2ccccc2oc1=O MOL36898
-O=c1oc2ccccc2c(O)c1C(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1c(O)c2ccccc2oc1=O MOL36899
-O=c1oc2ccccc2c(O)c1C(c1ccco1)c1c(O)c2ccccc2oc1=O MOL36900
-O=c1oc2ccccc2c(O)c1C(c1cnc2ccccc2c1)c1c(O)c2ccccc2oc1=O MOL36901
-O=c1oc2ccccc2c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O MOL36902
-O=c1oc2ccccc2c(O)c1C1c2c(c3ccccc3oc2=O)Oc2c1c(=O)oc1ccccc21 MOL36903
-O=c1oc2ccccc2c(O)c1C(c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O MOL36904
-COc1cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)ccc1O MOL36905
-O=c1oc2ccccc2c(O)c1C(c1cccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1)c1c(O)c2ccccc2oc1=O MOL36906
-O=c1oc2cc(O)ccc2c(O)c1C(c1ccc(C=Cc2ccccc2)cc1)c1c(O)c2ccc(O)cc2oc1=O MOL36907
-O=c1oc2ccccc2c(O)c1C(c1cccs1)c1c(O)c2ccccc2oc1=O MOL36908
-O=c1oc2ccccc2c(O)c1C1c2ccccc2Oc2c1c(=O)oc1ccccc21 MOL36909
-Cn1c(=O)c2c(=O)cc(N)[nH]c2n(C)c1=O MOL36910
-Cn1c(Nc2ccccc2)c(C=Nc2ccccc2)c(=O)n(C)c1=O MOL36911
-CCOC(=O)C=Cc1c(Cl)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O MOL36912
-CCSc1cc(=O)n(C)c(=O)n1C MOL36913
-COc1nc(O)cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1 MOL36914
-COc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(=O)n1C MOL36915
-Cn1c(N)c(C=CC(=O)Oc2ccccc2)c(=O)n(C)c1=O MOL36916
-Cn1c(N2CCCC2)c(C=O)c(=O)n(C)c1=O MOL36917
-CN(C)C=Nc1cc(=O)n(C)c(=O)n1C MOL36918
-CN(C)N=Cc1cn(C)c(=O)n(C)c1=O MOL36919
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccccc3c(=O)o2)cc1 MOL36920
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC(CC(=O)O)C(=O)O)cc1 MOL36921
-O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL36922
-O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL36923
-O=C(Nc1ccccc1C(=O)NCc1ccccc1)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL36924
-O=C(O)CC1NC(C(=Cc2ccccc2O)NC(=O)c2ccccc2)OC1=O MOL36925
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2cccc(C(=O)NCCCO)c2)cc1 MOL36926
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nn(C)c(=O)o2)cc1 MOL36927
-O=C(Nc1cccc(C(=O)NCCCO)c1)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL36928
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 MOL36929
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC(CCC(=O)O)C(=O)O)cc1 MOL36930
-NNC(=O)c1ccccc1NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL36931
-NNC(=O)c1ccccc1NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL36932
-O=C(O)CCC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O MOL36933
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1 MOL36934
-O=C(O)CC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O MOL36935
-O=C(NC(=Cc1ccccc1)C1Nc2ccccc2C(=O)O1)c1ccccc1 MOL36936
-O=C(Nc1ccccc1C(=O)NCCCO)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL36937
-CC(NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1)C(=O)O MOL36938
-O=C(O)CC1NC(C(=Cc2ccccc2)NC(=O)c2ccccc2)OC1=O MOL36939
-O=C(NC(=Cc1ccccc1)c1nc2ccccc2c(=O)o1)c1ccccc1 MOL36940
-O=C(O)CCC1NC(C(=Cc2ccccc2O)NC(=O)c2ccccc2)OC1=O MOL36941
-NC1=CN(Cc2ccccc2)C2=NC(=Cc3ccccc3O)C(=O)N12 MOL36942
-COc1ccc(C=C2N=C3N(Cc4ccccc4)C=C(N)N3C2=O)cc1 MOL36943
-NC1=CN(Cc2ccccc2)C2=NC(=Cc3ccco3)C(=O)N12 MOL36944
-NC1=CN(Cc2ccccc2)C2=NC(=Cc3ccccc3)C(=O)N12 MOL36945
-NC1=CN(CCCO)C2=NC(=Cc3ccccc3)C(=O)N12 MOL36946
-NC1=CN(CCCO)C2=NC(=Cc3ccco3)C(=O)N12 MOL36947
-Nc1ccc(-c2ncc3cc(-c4cccc(-c5cc6cnc(-c7ccc(N)cc7)nc6c6ccccc56)c4)c4ccccc4c3n2)cc1 MOL36948
-N#Cc1ccccc1-c1nc2c3c(c(N)ccc3n1)C(=O)c1ccccc1-2 MOL36949
-Cc1n[nH]c(=N)sc1=NO.Cl MOL36950
-CC1=NOC(C)(O)C1=NO MOL36951
-CC(CN1NC12CCCC2)N1NC12CCCC2 MOL36952
-O=C1OC2c3ccccc3C(=O)C2(c2ccccc2)N1c1ccccc1 MOL36953
-O=c1c2cc3c(=O)n4c(cc(-c5ccccc5)c5cc(Cl)ccc54)nc3cc2nc2cc(-c3ccccc3)c3cc(Cl)ccc3n12 MOL36954
-c1ccc2c(c1)C1=Nc3ccc(cc3)-c3nc4ccc(cc4o3)N=C3N=C(Nc4ccc5nc(oc5c4)-c4ccc(cc4)NC2=N1)c1ccccc13 MOL36955
-O=C1N=C2NOC(=O)N=C2NO1 MOL36956
-CC(=Nc1nc(O)cc2c1C(=O)CC2)N(C)C MOL36957
-Cc1ccc(N=C2C(c3ccccc3)=C(SC3=C(c4ccccc4)C(=Nc4ccc(C)cc4)c4ccccc43)c3ccccc32)cc1 MOL36958
-Cc1cc2ccccc2oc(=O)c1=NNc1ccccc1 MOL36959
-c1ccc2c(c1)c(N1CCCCC1)cc1nc3c(cc(N4CCCCC4)c4ccccc43)nc12 MOL36960
-O=c1c2c(sc3ccccc13)NCN(CCc1ccccc1)C2 MOL36961
-Cc1ccc2[nH]c3c(c2c1)CCCC3=NNC(=N)N MOL36962
-O=C1ON=C2C3CC4CC12CC1(C3)C(=O)ON=C41 MOL36963
-c1ccc(CN2C3C4N(Cc5ccccc5)C2C2N(Cc5ccccc5)C(C(N2Cc2ccccc2)N4Cc2ccccc2)N3Cc2ccccc2)cc1 MOL36964
-Nc1ccc2c3c1cccc3c(=O)n1c3ccc(Cc4ccc5c(c4)nc4c6ccc(N)c7cccc(c(=O)n54)c76)cc3nc21 MOL36965
-O=C1c2ccccc2C(=Nc2ccc3ccccc3c2)C1(C1=C(c2ccccc2)C(=Nc2ccc3ccccc3c2)c2ccccc21)c1ccccc1 MOL36966
-ON=C1SC(=NO)C(=NO)SC1=NO MOL36967
-Clc1nssc1=Nc1nonc1-c1ccccc1 MOL36968
-Cl.O=C1NC2NC3NC(=O)NC3NC2N1 MOL36969
-CCOc1ccc(N2C(=O)NC3(c4ccccc4)N(C)C(=O)N(C)C23c2ccccc2)cc1 MOL36970
-COC1(OC)C(C(N)=CO)=NC(C)(C)N1O MOL36971
-CCOC(=O)C(=[N+]=[N-])C(=O)Nc1nn2nnnc2c2ccccc12 MOL36972
-CC1(C)CC(=O)c2c([nH][nH]c2=N)C1 MOL36973
-Cc1cc(C2(c3cc(C)c(O)c4ncccc34)OC(=O)c3ccccc32)c2cccnc2c1O MOL36974
-CCOC(=O)NC(=S)N(C)P(=S)(OCC)N(C)C(=S)NC(=O)OCC MOL36975
-Cl.O=C1CCCC1CC(CN1CCOCC1)Sc1nnnn1-c1ccccc1 MOL36976
-ClC1=NSSC1(Cl)Cl MOL36977
-Cl.NN=C(Nc1ccccc1)SCc1ccccc1 MOL36978
-c1ccc2c(c1)[n-]n1c3ccc4nonc4c3n[n+]21 MOL36979
-Cc1cc(=NNC(=O)c2ccncc2)n2[nH]c(=N)sc2n1 MOL36980
-CC(CC(=O)OCc1ccccc1)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C MOL36981
-CC(CC(=O)O)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C MOL36982
-CC(CCO)OC1OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C1OC(=O)C(C)(C)C MOL36983
-COc1ccc(COCCC(C)OC2OC(CO)C(O)C(O)C2O)cc1 MOL36984
-COc1ccc(COCCC(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)cc1 MOL36985
-COc1ccc(COCCC(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(OC(=O)CCCN=[N+]=[N-])C(OC(=O)CCCN=[N+]=[N-])C2OC(=O)CCCN=[N+]=[N-])cc1 MOL36986
-COc1ccc(N2CCOCC2)cc1 MOL36987
-CCOC(=O)C1(C(=O)OCC)CC(C)C(O)C1 MOL36988
-C=CCC(CC=O)(C(=O)OCC)C(=O)OCC MOL36989
-O=CCCCCCOCc1ccccc1 MOL36990
-CCOC(=O)C1(C(=O)OCC)CC(C)C(C)(O)C1 MOL36991
-Cc1ccc(N2CCC3(CC2)OCCO3)cc1 MOL36992
-C=CCC(CCC(C)=O)(C(=O)OCC)C(=O)OCC MOL36993
-CCN(CC)C(=O)CCCCCCCCC1CO1 MOL36994
-CC(C)(C)OC(=O)N1CC(O)OC(c2ccccc2)C1c1ccccc1 MOL36995
-O=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F MOL36996
-C(#CP(c1ccccc1)c1ccccc1)P(C#CP(c1ccccc1)c1ccccc1)c1ccccc1 MOL36997
-COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC(OC(C)=O)C3OC(C)=O)C1=O MOL36998
-Cc1ccc2c3c4c(ccc13)C(C)(C)OC4=C(C(C)C)C2=O MOL36999
-CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)c2c3c(ccc4c3c1OC4(C)C)C(C)CC2 MOL37000
-Cc1c2c(cc3c1C(=O)C(O)=C(C(C)CO)C3=O)C(C)(C)CCC2 MOL37001
-CC(CO)C1=C(O)C(=O)c2c(ccc3c2CCCC3(C)C)C1=O MOL37002
-CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C MOL37003
-Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C MOL37004
-CC(CO[Si](C)(C)C(C)(C)C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c3c(ccc2c1O)C(C)(C)CCC3 MOL37005
-CC(C)c1c(O[Si](C(C)C)(C(C)C)C(C)C)cc2c(c1O)CCC1C(C)(C)CCCC21C MOL37006
-CN1C(=O)C(O)CC1c1ccccc1F MOL37007
-CN1C(=O)C(O)CC1c1cccc(F)c1 MOL37008
-CN1C(=O)C(O)CC1c1ccccc1C(F)(F)F MOL37009
-CN1C(=O)C(O)CC1c1cccc(C(F)(F)F)c1 MOL37010
-CN1C(=O)C(O)CC1c1ccc(C(F)(F)F)cc1 MOL37011
-CC(C)(C)[Si](C)(C)OC1CCOC1(O)c1ccccn1 MOL37012
-OC1CCOC1(O)c1ccccn1 MOL37013
-C1=C(c2cnc3ccccc3n2)[SH+][Ni-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL37014
-C1=C(c2cnc3ccccc3n2)[SH+][Pd-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL37015
-C1=C(c2cnc3ccccc3n2)[SH+][Pt-2]2([SH+]1)[PH](c1ccccc1)(c1ccccc1)CC[PH]2(c1ccccc1)c1ccccc1 MOL37016
-Cl.O=C(NCCc1ccccn1)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1 MOL37017
-CCOC(C)=O.CCOc1cc2c(cc1O)CCC1C2CCC2(C)C(OS(=O)OC3CCC4C5CCc6cc(O)c(OCC)cc6C5CCC34C)CCC12 MOL37018
-CC(C)OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1Cl MOL37019
-O=S1(=O)OCCOS(=O)(=O)C1C1c2ccccc2-c2ccccc21 MOL37020
-O=S(=O)(O)C(Cc1nc2ccccc2[nH]1)S(=O)(=O)OCCC1S(=O)(=O)OCCOS1(=O)=O.[NaH] MOL37021
-O=S(=O)(O)c1cc(O)c(N=NC2S(=O)(=O)OCCOS2(=O)=O)c2ccccc12 MOL37022
-Cc1ccc2cccc3c2c1CC1(C3=O)S(=O)(=O)OCCOS1(=O)=O MOL37023
-O=C(SC1=NCCN1)c1cccc2ccccc12 MOL37024
-O=S(=O)(SC1=NCCN1)c1ccc2ccccc2c1 MOL37025
-O=S(=O)(SC1=NCCN1)c1cccc2ccccc12 MOL37026
-CS(=O)(=O)OC1C(O)c2ccccc2C1N=[N+]=[N-] MOL37027
-CC1(O)C2OC2C2(CCCO2)C2OC21 MOL37028
-BrC1C2(SCCS2)C2CC(c3ccccc32)C12SCCS2 MOL37029
-BrC1=C(Br)C2(SCCS2)C2CC1c1ccccc12 MOL37030
-O=C1SS(=O)c2ccccc21 MOL37031
-O=c1oc2cc(O)ccc2c(O)c1C(c1ccc2ccccc2c1)c1c(O)c2ccc(O)cc2oc1=O MOL37032
-O=C(CCc1cc(O)cc(O)c1)NCCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 MOL37033
-O=c1oc2cc(O)ccc2c(O)c1C(c1cccnc1)c1c(O)c2ccc(O)cc2oc1=O MOL37034
-O=c1oc2cc(O)ccc2c(O)c1C(c1ccccn1)c1c(O)c2ccc(O)cc2oc1=O MOL37035
-O=c1oc2cc(O)ccc2c(O)c1C(c1ccccc1F)c1c(O)c2ccc(O)cc2oc1=O MOL37036
-O=C(CCc1ccc(O)c(O)c1)NCCc1cc(O)cc(O)c1 MOL37037
-COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccccc1)=N2 MOL37038
-CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccccc1)=N2 MOL37039
-COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc(Cl)cc1)=N2 MOL37040
-COc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2 MOL37041
-CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc(Cl)cc1)=N2 MOL37042
-CSc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)CC(c1ccccc1)N2 MOL37043
-COc1ccc(C2=Nc3c(O)nc(OC)nc3NC(c3ccccc3)C2)cc1 MOL37044
-COc1ccc(C2=Nc3c(O)nc(SC)nc3NC(c3ccccc3)C2)cc1 MOL37045
-COc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc([N+](=O)[O-])cc1)=N2 MOL37046
-CSc1nc2c(c(=O)n1C)N=C(c1ccc([N+](=O)[O-])cc1)CC(c1ccccc1)N2 MOL37047
-CSc1nc(O)c2c(n1)NC(c1ccccc1)CC(c1ccc([N+](=O)[O-])cc1)=N2 MOL37048
-COc1nc2c(c(=O)n1C)N=C(c1ccccc1)C(C(CC(=O)c1ccccc1)c1ccccc1)C(c1ccccc1)N2 MOL37049
-CSc1nc2c(c(=O)n1C)N=C(c1ccccc1)C(C(CC(=O)c1ccccc1)c1ccccc1)C(c1ccccc1)N2 MOL37050
-COc1ccc(C(=O)CC(c2ccccc2)C2C(c3ccc(OC)cc3)=Nc3c(nc(SC)n(C)c3=O)NC2c2ccccc2)cc1 MOL37051
-CNC(=O)c1nnn(C2CCCCC2)c1S MOL37052
-NC(=O)c1nnsc1NN=Cc1ccc([N+](=O)[O-])cc1 MOL37053
-COc1ccc(-n2nnc(C(N)=O)c2O)cc1.[NaH] MOL37054
-Cc1csc(NNC(=O)Nc2ccccc2)n1 MOL37055
-O=C(NNc1nc(-c2ccccc2)cs1)C(F)(F)F MOL37056
-O=C(Nc1cccc([N+](=O)[O-])c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1O.[NaH] MOL37057
-COC(=O)C=C1SC([C-](C(=O)OC)[n+]2ccc3ccccc3c2)=NC1=O MOL37058
-NNC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12 MOL37059
-CCOC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2c3ccccc3ccn12 MOL37060
-CSc1nc2c3ccccc3ccn2c1C(=O)NN=Cc1ccccc1 MOL37061
-CCOC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12 MOL37062
-O=C(O)c1nn[nH]c1S MOL37063
-NC(=O)c1nnsc1NN=O MOL37064
-NC(=O)c1nnsc1NC=O MOL37065
-CNC(=O)c1nn[nH]c1O.[NaH] MOL37066
-CN(C)C(=O)c1nnsc1NN=O MOL37067
-Cc1csc(NNC(N)=O)n1 MOL37068
-CCOC(=O)c1nnsc1NN MOL37069
-NNC(=O)c1nn[nH]c1SSc1[nH]nnc1C(=O)NN MOL37070
-CNC(=O)c1nn[nH]c1Sc1c([N+](=O)[O-])ncn1C MOL37071
-O=C(NC1CCCCC1)c1nn[nH]c1Cl MOL37072
-Cn1c(=O)c2nc(N=NNc3nncs3)[nH]c2n(C)c1=O MOL37073
-Cc1cnc2c(c1C)C(=O)c1ccccc1C2=O MOL37074
-CCC(C)C(=O)c1c(O)c(CC2OC2(C)C)c(O)c2c(C(O)CC)cc(=O)oc12 MOL37075
-CCC(C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)C(CC)O2 MOL37076
-CCC1Oc2c(CC=C(C)C)c(O)c(C(O)C(C)CC)c3oc(=O)cc1c23 MOL37077
-CCC1Oc2c(CC=C(C)C)c(OC(C)=O)c(C(OC(C)=O)C(C)CC)c3oc(=O)cc1c23 MOL37078
-Oc1ccc2c(c1)-c1c(c3cc(O)ccc3n1CCN1CCOCC1)CC2 MOL37079
-O=S(=O)(Nc1nnc2c3ccccc3cnn12)c1ccc(Cl)cc1S MOL37080
-O=S(=O)(Nc1nnc2c3ccccc3cnn12)c1ccc(F)cc1S MOL37081
-Cc1cc(S(=O)(=O)Nc2nnc3c4ccccc4ccn23)c(S)cc1Cl MOL37082
-O=S(=O)(Nc1nnc2c3ccccc3ccn12)c1ccc(F)cc1S MOL37083
-Cc1cc(S(=O)(=O)Nc2nnc3ccc4ccccc4n23)c(S)cc1Cl MOL37084
-O=S(=O)(Nc1nnc2ccc3ccccc3n12)c1ccc(Cl)cc1S MOL37085
-O=S(=O)(Nc1nnc2ccc3ccccc3n12)c1ccc(F)cc1S MOL37086
-Cc1cc(S(=O)(=O)Nc2nnc3c4c(C)csc4ncn23)c(S)cc1Cl MOL37087
-Cc1cc(S(=O)(=O)Nc2nnc3c4scc(C)c4ncn23)c(S)cc1Cl MOL37088
-Cc1cc(S(=O)(=O)Nc2nc(=N)nc3[nH]c4ccccc4n23)c(S)cc1Cl MOL37089
-Cc1cc2[nH]c3nc(=N)nc(NS(=O)(=O)c4cc(C)c(Cl)cc4S)n3c2cc1C MOL37090
-COc1ccc2c(c1)CCN1CCCc3ccccc3C21.Cl MOL37091
-COc1ccc2c(c1)C1c3ccccc3CCN1CCC2 MOL37092
-COc1ccc2c(c1)CCN1CCCc3ccc(OC)cc3C21 MOL37093
-COc1ccc2c(c1)CCN1CCc3cc(OC)c(OC)cc3CC21 MOL37094
-COc1cc2c(cc1OC)CC1c3cc(OC)c(OC)cc3CCN1CC2 MOL37095
-COc1ccc(CCNC(=O)CCc2ccccc2CO)cc1OC MOL37096
-O=C(CCc1ccccc1CO)NCCc1ccccc1 MOL37097
-COc1ccc(CCNC(=O)Cc2ccccc2CCO)cc1OC MOL37098
-COc1cccc(CCNC(=O)Cc2ccccc2CCO)c1 MOL37099
-O=C(Cc1ccccc1CCO)NCCc1ccccc1 MOL37100
-COc1cc2c(cc1OC)C(Cc1ccccc1CCCl)=NCC2.Cl MOL37101
-COc1ccc2c(c1)CCN=C2Cc1ccccc1CCCl.Cl MOL37102
-Cl.ClCCc1ccccc1CC1=NCCc2ccccc21 MOL37103
-COc1ccc(CCCNC(=O)c2cc(OC)c(OC)cc2CCO)cc1OC MOL37104
-COc1ccc(CCCCl)c(C2=NCCc3cc(OC)c(OC)cc32)c1.Cl MOL37105
-COc1ccc(CCCCl)c(C2=NCCc3ccccc32)c1.Cl MOL37106
-COc1cc2c(cc1OC)C(c1ccccc1CCCCl)=NCC2.Cl MOL37107
-COc1ccc2c(c1)CCN=C2c1ccccc1CCCCl.Cl MOL37108
-Cl.ClCCCc1ccccc1C1=NCCc2ccccc21 MOL37109
-COc1ccc2c(c1)C(=O)OCCC2 MOL37110
-COc1ccc(CCNC(=O)CCCCCO)cc1OC MOL37111
-COc1ccc(CCNC(=O)C2CCCCC2CCO)cc1OC MOL37112
-O=C(NCCc1ccccc1)C1CCCCC1CCO MOL37113
-COc1ccc(CCNC(=O)Cc2cc(OC)c(OC)cc2CO)cc1OC MOL37114
-COc1ccc(CCNC(=O)Cc2ccccc2CO)cc1OC MOL37115
-COc1ccc(CCN=C2OCc3ccccc32)cc1OC.Cl MOL37116
-COc1ccc(CCCNC(=O)Cc2cc(OC)c(OC)cc2CO)cc1OC MOL37117
-COc1cccc(CCCNC(=O)Cc2cc(OC)c(OC)cc2CO)c1 MOL37118
-COc1cc(CO)c(CC(=O)NCCCc2ccccc2)cc1OC MOL37119
-COc1ccc(CCCNC(=O)Cc2ccccc2CO)cc1OC MOL37120
-COc1cccc(CCCNC(=O)Cc2ccccc2CO)c1 MOL37121
-COc1ccc(CC2Cc3ccccc3CC(=O)N2)cc1OC MOL37122
-COc1cc2c(cc1OC)CN1CCc3ccccc3CC1C2 MOL37123
-COc1cc(Cc2cc3c(c(C(=O)O)c2Br)OCO3)cc(OC)c1OC MOL37124
-COc1cc2c(cc1OC)CC(=O)c1cc(OC)c(OC)cc1C=C2 MOL37125
-O=C(C=Cc1ccc2c(c1)OCO2)NCc1ccco1 MOL37126
-COc1cc2c(cc1OC)CCc1cc(OC)c(OC)cc1CC2 MOL37127
-CCOc1c2c(cc3c1C(=O)c1c(OC)cccc1C3=O)C=C(OC)CC2 MOL37128
-O=C1NC(Cc2ccc(O)cc2)C(=O)NC1Cc1ccc(O)cc1 MOL37129
-Br.Oc1ccc(CC2CNC(Cc3ccc(O)c(Br)c3)CN2)cc1 MOL37130
-Cc1ccc(OCC2OC(C#N)C(Oc3ccc(C)cc3)C2Oc2ccc(C)cc2)cc1 MOL37131
-COc1cc(C2C=C(c3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC MOL37132
-COc1c2c(cc3c1C(=O)c1c(O)cccc1C3=O)CC(O)CC2 MOL37133
-CC=C1CC2C(=O)CCC2C2c3ccccc3OC12 MOL37134
-N#CC1Cc2cc3c(cc21)OCO3 MOL37135
-COc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1c(C)cc(C)cc1C MOL37136
-CC(=O)N(C(C)=O)n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL37137
-O=c1[nH]nc(Cc2ccc(Cl)cc2)n1Nc1ccccc1 MOL37138
-Cc1n[nH]c(=O)n1N1C(=O)c2ccccc2C1=O MOL37139
-O=C1c2ccccc2C(=O)N1n1c(Cc2ccccc2)n[nH]c1=O MOL37140
-Cc1ccc(Cc2n[nH]c(=O)n2N2C(=O)c3ccccc3C2=O)cc1 MOL37141
-O=C1c2ccccc2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O MOL37142
-Cc1ccc(Cc2n[nH]c(=O)[nH]2)cc1 MOL37143
-Cc1ccc(Cc2n[nH]c(=S)[nH]2)cc1 MOL37144
-S=c1[nH]nc(Cc2ccc(Cl)cc2)[nH]1 MOL37145
-CCOC(Cc1ccc(Cl)cc1)=NNC(N)=S MOL37146
-Cl.O=C1C(=Cc2ccc(O)cc2)CCCC1CN1CCCCC1 MOL37147
-O=C1C(=Cc2ccc(Cl)cc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1 MOL37148
-O=C1C(=Cc2ccccc2)CCCC1=Cc1ccc(O)c(CN2CCCCC2)c1 MOL37149
-Cc1ccc(C=C2CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 MOL37150
-COc1ccc(C=C2CCCC(=Cc3ccc(O)c(CN4CCCCC4)c3)C2=O)cc1 MOL37151
-Cl.O=C(CCN1CCOCC1)c1ccc(Oc2ccc(F)cc2)cc1 MOL37152
-Cc1cn(C2CC3C(COC(c4ccc([N+](=O)[O-])cc4)N3O)O2)c(=O)[nH]c1=O MOL37153
-Cc1cn(C2CC(N(C)O)C(CO)O2)c(=O)[nH]c1=O MOL37154
-COC(=O)CC1C(COC(C)=O)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O MOL37155
-CCC[CH-][N+](=O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL37156
-CCCCN(O)C1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL37157
-COC(=O)CC1C(COC(C)=O)OC(n2cc(C)c(=O)[nH]c2=O)C1OC(C)=O MOL37158
-C#CC1(O)C(CO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL37159
-C#CC1(O)C(C=NO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL37160
-Cn1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O MOL37161
-CNC(=O)N1NC(c2ccccc2)C1c1ccccc1.OB(O)O MOL37162
-[O-][N+]1=C(c2ccccc2)C(c2ccccc2)=N1 MOL37163
-[O-][N+]1=[N+]([O-])C(c2ccccc2)C1c1ccccc1 MOL37164
-CC1N(O)C(c2ccccc2)[C-](c2ccccc2)[N+]1=O MOL37165
-CC1(C)N(OC2CCCCO2)C(c2ccccc2)[C-](c2ccccc2)[N+]1=O MOL37166
-O=c1n(-c2ccccc2)c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n12 MOL37167
-Cn1c(=O)n2n(c1=O)C(c1ccccc1)C2c1ccccc1 MOL37168
-CC(C)(C)Nc1noc(=O)n1C(C)(C)C MOL37169
-CC(C)NC(=O)N(Nc1ccccc1)C(C)(C)C MOL37170
-CC(C)n1c(=O)[nH]n(-c2ccccc2)c1=O MOL37171
-CC(C)n1c(=O)n(-c2ccccc2)n(C(C)(C)C)c1=O MOL37172
-CC(C)(C)n1c(=O)[nH]c(=O)n1C(C)(C)C MOL37173
-CC(C)(C)N=c1n(C(C)(C)C)oc(=O)n1C(C)(C)C MOL37174
-O=c1onc(Nc2ccccc2)n1-c1ccccc1 MOL37175
-CC(C)(C)n1c(=O)n(-c2ccccc2)n(C(C)(C)C)c1=O MOL37176
-CC(C)(C)N=c1n(C(C)(C)C)oc(=O)n1-c1ccccc1 MOL37177
-CCOC(=O)N(NC(=O)NC(C)C)c1ccccc1 MOL37178
-COc1cc2c(cc1O)C1C(O2)c2cc3c(cc2OC1(C)C)OC(C)(C)CC3 MOL37179
-COc1cc2c(cc1O)C1COc3cc4c(cc3C1O2)CCC(C)(C)O4 MOL37180
-CC1(C)CCc2cc3c(cc2O1)OC(C)(C)C1c2cc(O)c(OCc4ccccc4)cc2OC31 MOL37181
-CC1(C)CCc2cc3c(cc2O1)OCC1c2cc(O)c(OCc4ccccc4)cc2OC31 MOL37182
-CC1(C)Oc2cc(OCc3ccccc3)ccc2C2Oc3cc(OCc4ccccc4)c(O)cc3C21 MOL37183
-COc1cc2c(cc1O)C1C(O2)c2ccc(OCc3ccccc3)cc2OC1(C)C MOL37184
-COc1ccc2c(c1)OC(C)(C)C1c3cc(O)c(OCc4ccccc4)cc3OC21 MOL37185
-COc1ccc2c(c1)OC(C)(C)C1c3c(cc(OC)c(O)c3C)OC21 MOL37186
-COc1cc2c(cc1O)C1C(O2)c2c(OC)cc3c(c2OC1(C)C)CCC(C)(C)O3 MOL37187
-COc1cc2c(c3c1C1Oc4cc(OCc5ccccc5)c(O)cc4C1C(C)(C)O3)CCC(C)(C)O2 MOL37188
-COc1ccc(CC=C(C)CCO)cc1 MOL37189
-COc1c(C)c(CC=C(C)CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c(OC)c1OC MOL37190
-COc1c(C)c(CC=C(C)CCCCO)c(OC)c(OC)c1OC MOL37191
-COc1c(C)c(CC=C(C)CCCCO)c(OC)c2ccccc12 MOL37192
-COc1c(C)c(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)c(OC)c2ccccc12 MOL37193
-COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC MOL37194
-COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC MOL37195
-COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c(OC)c1OC MOL37196
-CC(=CCc1ccc(F)cc1)CCCCCCC(C)=CCc1ccc(F)cc1 MOL37197
-COc1c(C)c(CC=C(C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)c(OC)c2ccccc12 MOL37198
-COc1c(C)c(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(OC)c2ccccc12 MOL37199
-CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(OC5OCC(O)C(O)C5O)C5C(C)(C)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)O1 MOL37200
-CC(=O)OC1C(O)COC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OCC(O)C(O)C3O)C4C2(C)C)C1OC1OCC(O)C(O)C1O MOL37201
-CCc1c(O)cc(=O)oc1-c1ccc(OC)c(OC)c1 MOL37202
-CCc1c(-c2ccc(OC)cc2)oc(OC)c(C)c1=O MOL37203
-Cc1ccc(-n2c(C)n[nH]c2=O)cc1 MOL37204
-CC(=O)N(C(C)=O)n1c(-c2ccccc2)n[nH]c1=O MOL37205
-CCc1n[nH]c(=O)n1N=Cc1ccccc1O MOL37206
-CCc1n[nH]c(=O)n1N=Cc1c(O)ccc2ccccc12 MOL37207
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1c(O)ccc2ccccc12 MOL37208
-CCc1n[nH]c(=O)n1NC(=O)c1ccccc1C(=O)O MOL37209
-Cc1n[nH]c(CC#N)n1 MOL37210
-Cc1n[nH]c(Cc2nc(C)n[nH]2)n1 MOL37211
-c1ccc(Cc2n[nH]c(Cc3nc(Cc4ccccc4)n[nH]3)n2)cc1 MOL37212
-Cc1ccc(-c2n[nH]c(Cc3nc(-c4ccc(C)cc4)n[nH]3)n2)cc1 MOL37213
-CCOC(=O)NN=C(Cc1ccccc1)OCC MOL37214
-CCOC(=O)NN=C(Cc1ccc([N+](=O)[O-])cc1)OCC MOL37215
-CCOC(=O)NNC(=N)Cc1ccc(Cl)cc1 MOL37216
-CCc1nnc(CC)n1N1C(=O)CCC1=O MOL37217
-CCc1nnc(CC)n1NCCCC(=O)O MOL37218
-O=C(O)C1CCCCC1C(=O)Nn1cnnc1 MOL37219
-O=C(O)c1ccccc1C(=O)Nn1cnnc1 MOL37220
-O=c1[nH]nc(Cc2ccccc2)n1-n1cnnc1 MOL37221
-CCc1nnc(CC)n1-n1c(Cc2ccccc2)n[nH]c1=O MOL37222
-CC(C)OC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1Cl MOL37223
-Cc1ccc(S(=O)(=O)N2CC2CCCCC=O)cc1 MOL37224
-CC(=O)Oc1cccc2c(C=NNC(N)=S)ncc(C)c12 MOL37225
-CCN(C(C)=O)c1cnc(C=NNC(N)=S)c2ccccc12 MOL37226
-Cc1ccc(S(=O)(=O)CC2CCCn3c2c(C#N)c2ccccc23)cc1 MOL37227
-CC1(C)CC(=O)C2(CC(CSc3ccccc3)C(CS(=O)(=O)c3ccccc3)C2)C(=O)C1 MOL37228
-CN(C)CCCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23.Cl MOL37229
-CCSc1nn(-c2c3ccccc3nc3ccccc23)c(=S)s1 MOL37230
-CCSc1nnc(Sc2c3ccccc3nc3ccccc23)s1 MOL37231
-CC1=CN(c2ccccc2)S2=C1c1sc3c(c1N2c1ccc(Br)cc1)CCCC3 MOL37232
-Cc1cn(C2CCC(CO)(CF)O2)c(=O)[nH]c1=O MOL37233
-Cc1cn(C2CCC(CO)(CF)O2)c(=O)[nH]c1=O MOL37234
-S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccs1 MOL37235
-CC12Nc3ccccc3N1C(=O)c1ccccc12 MOL37236
-O=S1(=O)CCN(Cc2ccccc2)C1=NS(=O)(=O)c1ccc(Cl)cc1 MOL37237
-Cc1ccc(S(=O)(=O)N=C2N(C)CCCS2(=O)=O)cc1 MOL37238
-O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1 MOL37239
-CC1(C)CC(=NO)c2c(nc3ccc4ccccc4c3c2-c2ccc(Cl)cc2)C1 MOL37240
-COC(=O)c1ccccc1N=C(NC1CCCCCC1)NS(=O)(=O)c1ccc(C)cc1 MOL37241
-Cc1ccc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 MOL37242
-Cc1c(C(=O)O)n2cnnc2c2ccccc12 MOL37243
-Cc1c(C(=O)O)n2c(=S)[nH]nc2c2ccccc12 MOL37244
-Cc1c(C(=O)NNc2ccccc2)n2c(=S)[nH]nc2c2ccccc12 MOL37245
-Cc1cc(C)c(P2C(=C(O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C2(c2ccccc2)c2ccccc2)c(C)c1 MOL37246
-CC(C)[Si]1(C(C)C)OCC2OC(n3cnc4c(N)ncnc43)C(N)C2O[Si](C(C)C)(C(C)C)O1 MOL37247
-O=C(Nc1ccc(Cl)cc1Cl)C1C(=O)OC2(CCCCC2)OC1=O MOL37248
-CCOC(=O)c1[nH]cc(C)c1-c1c[nH]c2ccccc12 MOL37249
-CCOC(=O)C1=CNC(C(=O)OCC)C1c1cccn1-c1ccccc1 MOL37250
-CCOC(=O)c1[nH]cc(C)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] MOL37251
-Cc1c[nH]c(C(=O)O)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] MOL37252
-CCOC(=O)c1[nH]cc(C)c1-c1ccn(-c2ccccc2)c1 MOL37253
-CCOC(=O)C1=CNC(C(=O)OCC)C1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] MOL37254
-CCOC(=O)c1[nH]cc(C)c1-c1ccc2c(-c3ccccc3)nc3ccccc3n12 MOL37255
-Cc1c[nH]c(C(=O)O)c1-c1ccc2c(-c3ccccc3)nc3ccccc3n12 MOL37256
-Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=N.Cl MOL37257
-CC(=O)OCC1OC(n2cc(C)c(-n3cncn3)nc2=O)CC1N=[N+]=[N-] MOL37258
-CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC MOL37259
-CCCCCCCCCCCCCCCCCCOCC(O)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL37260
-CCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(N=[N+]=[N-])C(CO)O2)cc1C MOL37261
-CCCCCCCCCCCCCCCC(=O)Nc1nc(=O)n(C2CCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])O2)cc1C MOL37262
-C1=NN=C2N3CN4CCN5CN6CN7CCN(C3)[Ni-4]457([NH+]12)[NH+]1C=NN=C61 MOL37263
-C1=NN=C2N3CN4CCN5CN6CN7CCN(C3)[Cu-5]457([NH+]12)[NH+]1C=NN=C61 MOL37264
-Cc1c(C(=O)O)n2c(C)nnc2c2ccccc12 MOL37265
-CCOc1cc2c(cc1O)CCC1C2CCC2(C)C(N)CCC12.Cl MOL37266
-C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccccc1 MOL37267
-C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(C)cc1 MOL37268
-C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(OC)cc1 MOL37269
-C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc(Cl)cc1 MOL37270
-C=C1c2nc3ccccc3n2C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1 MOL37271
-C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccccc1 MOL37272
-C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccc(C)cc1 MOL37273
-C=C1c2nc3ccccc3n2C=C(c2ccc(C)cc2)N1c1ccc(OC)cc1 MOL37274
-C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccccc1 MOL37275
-C=C1c2nc3ccccc3n2C=C(c2ccc(OC)cc2)N1c1ccc(OC)cc1 MOL37276
-C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccccc1 MOL37277
-C=C1c2nc3ccccc3n2C=C(c2ccc(Cl)cc2)N1c1ccc(OC)cc1 MOL37278
-COC(=O)CC1CN(C(=O)OCc2ccccc2)C(C)(C)O1 MOL37279
-Cc1ccc(S(=O)(=O)OCCC2CN(C(=O)OCc3ccccc3)C(C)(C)O2)cc1 MOL37280
-CC1(C)OC(CCC#N)CN1C(=O)OCc1ccccc1 MOL37281
-c1ccc(C(NCC2CCO2)(c2ccccc2)c2ccccc2)cc1 MOL37282
-COC(=O)CC1(CNC(=O)OCc2ccccc2)OCCO1 MOL37283
-COC(=O)CC(CNC(=O)OCc1ccccc1)OCc1ccc(OC)cc1 MOL37284
-CC(C)CC(NC(=O)C(CCI)Cc1ccccc1)C(=O)Nc1ccccc1 MOL37285
-CC(C)CC(NC(=O)C(CI)Cc1ccccc1)C(=O)Nc1ccccc1 MOL37286
-CC(C)CC(NC(=O)C(CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1 MOL37287
-CC(C)CC(NC(=O)C(COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1)C(=O)Nc1ccccc1 MOL37288
-CC(C)CC(NC(=O)C(C)(CI)Cc1ccccc1)C(=O)Nc1ccccc1 MOL37289
-O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CSC12 MOL37290
-O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1 MOL37291
-CC(C)(C)OC(=O)C1CCC(CC(=O)Oc2ccc([N+](=O)[O-])cc2)N1 MOL37292
-CC(C)(C)OC(=O)C1CCC(=S)N1Cc1ccccc1 MOL37293
-CC(C)(C)OC(=O)C1CCC(=S)N1Cc1ccccc1 MOL37294
-CN1N(c2ccccc2)C(=O)C2=NC=C(C#N)C(=N)C21C MOL37295
-CC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O MOL37296
-CC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)C12C MOL37297
-CCOC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O MOL37298
-CCOC(=O)C(C#N)=CNc1c(C)n(C)n(-c2ccccc2)c1=O MOL37299
-CCOC(=O)C1=CN=C2C(=O)N(c3ccccc3)N(C)C2(C)C1=N MOL37300
-Cc1c(NC=C(C#N)C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C MOL37301
-Cc1ccc(C(=O)C2=CN=C3C(=O)N(c4ccccc4)N(C)C3(C)C2=N)cc1 MOL37302
-N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1S MOL37303
-Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 MOL37304
-Cc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37305
-Cc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 MOL37306
-CN(C)c1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37307
-Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1 MOL37308
-COc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 MOL37309
-COc1ccc(-c2c(C#N)c(S)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37310
-N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O MOL37311
-N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1S MOL37312
-Cc1ccc(S(=O)(=O)Nn2c(S)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1 MOL37313
-N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1 MOL37314
-Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 MOL37315
-N#Cc1c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1-c1ccccc1 MOL37316
-Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1 MOL37317
-COc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37318
-COc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 MOL37319
-Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37320
-Cc1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 MOL37321
-CN(C)c1ccc(-c2c(C#N)c(-c3ccccc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37322
-Cc1ccc(S(=O)(=O)Nn2c(-c3ccccc3)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1 MOL37323
-Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1 MOL37324
-Cc1ccc(-c2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1 MOL37325
-Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1 MOL37326
-N#Cc1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O MOL37327
-Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1 MOL37328
-Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 MOL37329
-N#Cc1c(-c2ccccc2)c(C#N)c(=O)n(NS(=O)(=O)c2ccccc2)c1O MOL37330
-CN(C)c1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37331
-Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c2=O)cc1 MOL37332
-Cc1ccc(S(=O)(=O)Nn2c(O)c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c2=O)cc1 MOL37333
-Cc1ccc(-c2c(C#N)c(O)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37334
-Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1 MOL37335
-Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1 MOL37336
-Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1 MOL37337
-COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37338
-COc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccc(C)cc3)c(=O)c2C#N)cc1 MOL37339
-Cc1ccc(-c2c(C#N)c(-c3ccc(C)cc3)n(NS(=O)(=O)c3ccccc3)c(=O)c2C#N)cc1 MOL37340
-Cc1ccc(-c2c(C#N)c(-c3ccc(N(C)C)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1 MOL37341
-COc1cccc(NC(=O)c2c(SC)[nH][nH]c2=N)c1 MOL37342
-CSC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=S)C1C#N MOL37343
-CSC(SC)=C(C#N)C(=O)Nc1cccc(Cl)c1 MOL37344
-COc1cccc(NC(=O)c2c(SC)c(C#N)c(=O)n(N)c2N)c1 MOL37345
-COc1cccc(NC(=O)C(C#N)=C(SC)SC)c1 MOL37346
-COc1ccc(N2C(=O)C(C#N)=C(SC)C(C#N)C2=O)cc1 MOL37347
-CSC(SC)=C1C(=O)N(c2ccccc2)N=C1C MOL37348
-CSC(SC)=C1C(=O)NN=C1C MOL37349
-CSC(SC)=C(C#N)C(=O)Nc1ccc(C)cc1 MOL37350
-CSc1[nH][nH]c(=N)c1C(=O)Nc1ccc(C)cc1 MOL37351
-CSc1nc(S)nc2c1c(C)nn2-c1ccccc1 MOL37352
-CSc1c(C(=O)Nc2ccc(C)cc2)c(=N)[nH]n1-c1ccccc1 MOL37353
-COc1ccc(NC(=O)C(C#N)=C(SC)SC)cc1 MOL37354
-COc1ccc(NC(=O)C2=C(SC)C(C#N)C(=O)NC2=N)cc1 MOL37355
-CC(=O)C(=CNc1c(C)n(C)n(C)c1=O)C(=O)c1ccccc1 MOL37356
-CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccc(Cl)cc3)C(=N)C21C MOL37357
-Cc1ccc(C(=O)C(C#N)=CNc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 MOL37358
-CCOC(=O)C(=CNc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)c1ccccc1 MOL37359
-CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccccc3)C(=N)C21C MOL37360
-CSC1=C(C#N)C(=O)N(c2ccc(Cl)cc2)C(=O)C1C#N MOL37361
-CSC1=C(C#N)C(=O)N(c2ccc(C)cc2)C(=O)C1C#N MOL37362
-COc1ccccc1NC(=O)C(C#N)=C(SC)SC MOL37363
-Cc1c(NC=C(C#N)C#N)c(=O)n(-c2ccccc2)n1C MOL37364
-CSC(SC)=C(C#N)C(N)=S MOL37365
-O=C1C(=Cc2cccc(Br)c2)Cc2ccccc21 MOL37366
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 MOL37367
-O=C1C(=Cc2cccc(Br)c2)CCc2ccccc21 MOL37368
-O=C1C(=Cc2ccccc2)CCCc2ccccc21 MOL37369
-COc1ccc(C=C2CCCc3ccccc3C2=O)cc1 MOL37370
-COc1cccc(C=C2CCCc3ccccc3C2=O)c1 MOL37371
-Cc1ccc(C=C2CCCc3ccccc3C2=O)cc1 MOL37372
-Cc1cccc(C=C2CCCc3ccccc3C2=O)c1 MOL37373
-O=C1C(=Cc2ccc(Cl)cc2)CCCc2ccccc21 MOL37374
-O=C1C(=Cc2cccc(Cl)c2)CCCc2ccccc21 MOL37375
-O=C1C(=Cc2cccc(F)c2)CCCc2ccccc21 MOL37376
-O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 MOL37377
-O=C1C(=Cc2cccc([N+](=O)[O-])c2)CCCc2ccccc21 MOL37378
-CN(C)c1ccc(C=C2CCCc3ccccc3C2=O)cc1 MOL37379
-OCCN(CCO)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 MOL37380
-O=[N+]([O-])c1cc2ccc(N(CCO)CCO)nc2nc1N(CCO)CCO MOL37381
-Cc1cc(C)c2ccc(N3CCNCC3)nc2n1 MOL37382
-CCOC(=O)N1CCN(c2ccc3c(C)cc(C)nc3n2)CC1 MOL37383
-CCOC(=O)N1CCN(c2ccc3ccc(N)nc3n2)CC1 MOL37384
-Nc1ccc2ccc(N3CCNCC3)nc2n1 MOL37385
-O=CN1CCN(c2ccc3ccc(O)nc3n2)CC1 MOL37386
-O=c1cc(CN2CCCCC2)nc2ccc3c(O)cc(CN4CCCCC4)nc3n12 MOL37387
-CCOC(=O)N1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 MOL37388
-CCOC(=O)N1CCN(Cc2cc(=O)n3ccc(C)cc3n2)CC1 MOL37389
-Cc1ccc2nc(CN3CCCCC3)cc(=O)n2c1 MOL37390
-Cc1ccc2nc(CN3CCCC(O)C3)cc(=O)n2c1 MOL37391
-Cc1ccn2c(=O)cc(CN3CCOCC3)nc2c1 MOL37392
-Cc1ccc2nc(CN(CCO)CCO)cc(=O)n2c1 MOL37393
-OCCN(CCO)c1ccc2ccc(N(CCO)CCO)nc2n1 MOL37394
-Cn1c(=O)ccc2ccc(N(CCO)CCO)nc21 MOL37395
-Cc1ccc2c(N(CCO)CCO)cc(-c3ccccc3)nc2n1 MOL37396
-O=C(O)C1CSC(c2ccccc2Cl)N1 MOL37397
-O=C(O)C1CSC(c2ccc(Cl)cc2)N1 MOL37398
-O=C(O)C1CSC(c2ccc(Br)cc2)N1 MOL37399
-O=C(O)C1CSC(c2ccccc2F)N1 MOL37400
-O=C(O)C1CSC(c2cccc(F)c2)N1 MOL37401
-COc1ccc(C2Oc3cc(O)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(OC)cc3OC2c2ccc(OC)cc2)cc1 MOL37402
-O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1 MOL37403
-O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1 MOL37404
-COc1ccc(C2Oc3cc(OC)cc(O)c3C(=O)C2C2C(=O)c3c(O)cc(OC)cc3OC2c2ccc(O)cc2)cc1 MOL37405
-O=C1CC(c2ccc(O)c(O)c2)c2c(cc(O)c3c2OC(c2ccc(O)c(O)c2)C(O)C3)O1 MOL37406
-O=C1CC(c2ccc(O)c(O)c2)c2cc(O)c3c(c2O1)CC(O)C(c1ccc(O)c(O)c1)O3 MOL37407
-Cc1ccc(-c2cc(=O)c(=O)[nH][nH]2)cc1 MOL37408
-O=C(NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 MOL37409
-CC(C)(C)c1cc(-c2cc(C(C)(C)C)n(-c3ccccc3)n2)nn1-c1ccccc1 MOL37410
-CC(=O)OC12C3C4C1C1C2C3C41OC(C)=O MOL37411
-N#C[IH2]1OC(=O)c2ccccc21 MOL37412
-CCC(=O)N[IH2]1OC(=O)c2ccccc21 MOL37413
-O=C(N[IH2]1OC(=O)c2ccccc21)c1ccc(Cl)cc1 MOL37414
-N#C[IH2]1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21 MOL37415
-O=S(=O)(O[IH2](O)CC(F)(F)F)C(F)(F)F MOL37416
-Cc1ccc(S(=O)(=O)O[IH2](O)CC(F)(F)F)cc1 MOL37417
-CCOCCOCCOCc1nc(C#N)c(N)o1 MOL37418
-N#Cc1nc(C(CO)N(Cc2ccccc2)C(=O)O)oc1N MOL37419
-N#Cc1nc(COCCOCc2ccc(F)cc2)oc1N MOL37420
-COc1ccc(COCCOCc2nc(C#N)c(N)o2)cc1 MOL37421
-O=c1c2ncn(C3CCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL37422
-Cc1ccccc1-n1c(=O)c2ncn(CCCl)c2n(-c2ccccc2C)c1=S MOL37423
-O=c1c2[nH]cnc2n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL37424
-COc1ccc(-n2c(=O)c3[nH]cnc3n(-c3ccc(OC)cc3)c2=S)cc1 MOL37425
-COCn1cnc2c(=O)n(-c3ccc(OC)cc3)c(=S)n(-c3ccc(OC)cc3)c21 MOL37426
-COc1ccc(-n2c(=O)c3[nH]c(=S)[nH]c3n(-c3ccc(OC)cc3)c2=S)cc1 MOL37427
-OCC1OC(c2ccccc2)CC1O MOL37428
-CC=C(C)C=CCC(C)CCC=C(C)C MOL37429
-COc1ccc(N=NN2CCCC2)cc1 MOL37430
-Fc1ccc(N=NN2CCCC2)cc1 MOL37431
-Brc1ccc(N=NN2CCCC2)cc1 MOL37432
-FC(F)(F)c1ccc(N=NN2CCCC2)cc1 MOL37433
-N#Cc1ccc(N=NN2CCCC2)cc1 MOL37434
-O=[N+]([O-])c1ccc(N=NN2CCCC2)cc1 MOL37435
-CC(=O)c1ccc(N=NN2CCCC2)cc1 MOL37436
-c1ccc(-c2ccc(N=NN3CCCC3)cc2)cc1 MOL37437
-Brc1ccc(N=NN2CCCCC2)cc1 MOL37438
-COc1cccc(N=NN2CCCC2)c1 MOL37439
-Brc1cccc(N=NN2CCCC2)c1 MOL37440
-Cc1nc2ccc(S(=O)(=O)Nc3ccccc3)cc2c(=O)n1NC(=O)CNc1ccccc1 MOL37441
-COc1ccccc1NCC(=O)Nn1c(C)nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2c1=O MOL37442
-COc1ccc(NCC(=O)Nn2c(C)nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3c2=O)cc1 MOL37443
-Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2c(=O)n1NC(=O)CNc1ccccc1Cl MOL37444
-Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c(=O)n1NC(=O)CNc1ccc(Cl)cc1 MOL37445
-O=C(CNc1ccc(Cl)cc1Cl)NC1C=Cc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2C1=O MOL37446
-O=C(CNc1c(Cl)cccc1Cl)NC1C=Cc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2C1=O MOL37447
-O=C(CNc1ccccc1C(=O)O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2c1=O MOL37448
-O=C(CNc1ccccc1[N+](=O)[O-])Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3[N+](=O)[O-])cc2c1=O MOL37449
-CC(=O)Nc1ccc(NCC(=O)Nn2cnc3ccc(S(=O)(=O)Nc4ccc(NC(C)=O)cc4)cc3c2=O)cc1 MOL37450
-CC(=O)c1ccccc1NCC(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(C)=O)cc2c1=O MOL37451
-COc1ccc(OC)c(NCC(=O)Nn2cnc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3c2=O)c1 MOL37452
-O=C(CNc1ccccn1)Nn1cnc2ccc(S(=O)(=O)Nc3ccccn3)cc2c1=O MOL37453
-O=C(CNc1nccs1)Nn1cnc2ccc(S(=O)(=O)Nc3nccs3)cc2c1=O MOL37454
-O=C(CN(c1ccc(S(=O)(=O)O)cc1)c1ccc(S(=O)(=O)O)cc1)Nn1cnc2ccc(S(=O)(=O)N(c3ccc(S(=O)(=O)O)cc3)c3ccc(S(=O)(=O)O)cc3)cc2c1=O MOL37455
-O=c1c2cc(S(=O)(=O)Nc3ccccc3)ccc2ncn1NS(=O)(=O)c1ccccc1 MOL37456
-COc1ccccc1NS(=O)(=O)c1ccc2ncn(NS(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1 MOL37457
-COc1ccc(NS(=O)(=O)c2ccc3ncn(NS(=O)(=O)c4ccc(I)cc4)c(=O)c3c2)cc1 MOL37458
-O=c1c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2ncn1NS(=O)(=O)c1ccc(Br)cc1 MOL37459
-Cc1ccccc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O MOL37460
-O=c1c2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2ncn1NS(=O)(=O)c1cccc2ccccc12 MOL37461
-O=c1c2cc(S(=O)(=O)Nc3c(Cl)cccc3Cl)ccc2ncn1NS(=O)(=O)c1ccc2ccccc2c1 MOL37462
-Cc1ccc(C(=O)O)cc1S(=O)(=O)Nn1cnc2ccc(S(=O)(=O)Nc3ccccc3C(=O)O)cc2c1=O MOL37463
-Cc1ccc(S(=O)(=O)Nn2c(C)cc3ccc(S(=O)(=O)Nc4ccccc4[N+](=O)[O-])cc3c2=O)cc1 MOL37464
-CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3nc(C)n(NS(=O)(=O)c4ccc(NC(C)=O)cc4)c(=O)c3c2)cc1 MOL37465
-CC(=O)c1ccccc1NS(=O)(=O)c1ccc2nc(C)n(NS(=O)(=O)c3ccccc3C(C)=O)c(=O)c2c1 MOL37466
-COc1ccc(OC)c(NS(=O)(=O)c2ccc3nc(C)n(NS(=O)(=O)c4cc(OC)ccc4OC)c(=O)c3c2)c1 MOL37467
-Cc1nc2ccc(S(=O)(=O)Nc3ccccn3)cc2c(=O)n1NS(=O)(=O)c1ccccn1 MOL37468
-Cc1nc2ccc(S(=O)(=O)Nc3nccs3)cc2c(=O)n1NS(=O)(=O)c1nccs1 MOL37469
-Cc1nc2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2c(=O)n1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 MOL37470
-COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2)cc1OC MOL37471
-Oc1ccc2ccccc2c1C1=NNC(c2ccc(Cl)cc2)C1 MOL37472
-O=C(c1ccco1)C1CC(c2c(O)ccc3ccccc23)=NN1 MOL37473
-COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2C(C)=O)cc1OC MOL37474
-CC(=O)N1N=C(c2c(O)ccc3ccccc23)CC1c1ccc(Cl)cc1 MOL37475
-CC(=O)N1N=C(c2c(O)ccc3ccccc23)CC1C(=O)c1ccco1 MOL37476
-COc1ccc(C2CC(c3c(O)ccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC MOL37477
-O=[N+]([O-])c1ccc(N2N=C(c3c(O)ccc4ccccc34)CC2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 MOL37478
-COc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1OC MOL37479
-Oc1c(C2=NNC(c3ccc(Cl)cc3Cl)C2)ccc2ccccc12 MOL37480
-O=C(c1ccco1)C1CC(c2ccc3ccccc3c2O)=NN1 MOL37481
-Oc1c(C2=NNC(c3cccs3)C2)ccc2ccccc12 MOL37482
-CN(C)c1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1 MOL37483
-COc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2C(C)=O)cc1OC MOL37484
-CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1ccc(Cl)cc1Cl MOL37485
-CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1C(=O)c1ccco1 MOL37486
-CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1cccs1 MOL37487
-CC(=O)N1N=C(c2ccc3ccccc3c2O)CC1c1ccc(N(C)C)cc1 MOL37488
-O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)CC2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 MOL37489
-O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)CC2c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 MOL37490
-O=C(c1ccco1)C1CC(c2ccc3ccccc3c2O)=NN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL37491
-CN(C)c1ccc(C2CC(c3ccc4ccccc4c3O)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 MOL37492
-O=C1CC(=O)NC(NN2C(=O)CSC2c2ccccc2)=N1 MOL37493
-O=C1CC(=O)NC(NN2C(=O)CSC2c2ccc(Cl)cc2)=N1 MOL37494
-O=C1CC(=O)NC(NN2C(=O)CSC2c2ccc(Cl)c(Cl)c2)=N1 MOL37495
-COc1ccc(C2SCC(=O)N2NC2=NC(=O)CC(=O)N2)cc1 MOL37496
-O=C1CC(=O)NC(NN2C(=O)CSC2C(=O)c2ccco2)=N1 MOL37497
-O=C1CC(=O)NC(NN2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)=N1 MOL37498
-O=C1CC(=O)NC(NN2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccccc2)=N1 MOL37499
-O=C1CC(=O)NC(NN2C(=O)C(=Cc3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)=N1 MOL37500
-O=C1CC(=O)NC(NN2C(=O)C(=CC(=O)c3ccco3)N=C2c2ccccc2)=N1 MOL37501
-O=C1CC(=O)NC(NNS(=O)(=O)c2ccccc2)=N1 MOL37502
-O=C1CC(=O)NC(NNS(=O)(=O)c2ccc(Cl)cc2)=N1 MOL37503
-COc1ccc(C=C2N=C(c3ccccc3)N(NC3=NC(=O)CC(=O)N3)C2=O)cc1 MOL37504
-Oc1nc(-c2ccccc2)nc2c1sc1nc3ccccc3n12 MOL37505
-Oc1nc(Cc2ccccc2)nc2c1sc1nc3ccccc3n12 MOL37506
-CCSc1nc(C)nc2c1sc1nc3ccccc3n12 MOL37507
-CCOP(=O)(OCC)C(=Cc1ccccc1)CC(C)=O MOL37508
-CCOP(=O)(OCC)C(=Cc1cccs1)CC(C)=O MOL37509
-O=C(C=Cc1ccccc1)CC(=O)C=Cc1ccccc1 MOL37510
-O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)cc1 MOL37511
-COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 MOL37512
-COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O MOL37513
-COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O MOL37514
-O=C(C=Cc1ccc(O)c(O)c1)CC(=O)C=Cc1ccc(O)c(O)c1 MOL37515
-COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)ccc1O MOL37516
-COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O MOL37517
-O=C(C=Cc1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O MOL37518
-CC(=O)Oc1ccc(CC2COC(=O)C2Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O MOL37519
-CCc1c(OC)oc(CCCCCCCCCC(C)C(C)=O)c(C)c1=O MOL37520
-C=CC(=O)N1CC(=Cc2ccc(Cl)cc2)C(=O)C(=Cc2ccc(Cl)cc2)C1 MOL37521
-C=CC(=O)N1CC(=Cc2ccc(F)cc2)C(=O)C(=Cc2ccc(F)cc2)C1 MOL37522
-C=CC(=O)N1CC(=Cc2ccc(OC)cc2)C(=O)C(=Cc2ccc(OC)cc2)C1 MOL37523
-C=CC(=O)N1CC(=Cc2ccc(N(C)C)cc2)C(=O)C(=Cc2ccc(N(C)C)cc2)C1 MOL37524
-COc1ccc(C=CC(=O)CCN2CCN(CCC(=O)C=Cc3ccc(OC)cc3)CC2)cc1.Cl MOL37525
-Cl.O=C(C=Cc1ccc(Cl)c(Cl)c1)CCN1CCN(CCC(=O)C=Cc2ccc(Cl)c(Cl)c2)CC1 MOL37526
-Cl.O=C(CCN1CCCC1)c1ccc(Oc2ccc(F)cc2)cc1 MOL37527
-Cl.O=C(C=Cc1ccccc1)CCN1CCCC1 MOL37528
-Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2=S)cc1 MOL37529
-COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2=S)cc1 MOL37530
-Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn(C3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)c2=S)cc1C MOL37531
-O=C(OCC1OC(n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1 MOL37532
-O=C(NNC(=S)Nc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 MOL37533
-Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 MOL37534
-Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 MOL37535
-O=C(NNC(=S)Nc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 MOL37536
-O=C(NNC(=S)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 MOL37537
-COc1ccccc1NC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 MOL37538
-COc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 MOL37539
-O=C(NNC(=S)Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 MOL37540
-Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C MOL37541
-CC[N+]1(CC)CCN[Co-4]123([OH+]C(=O)[OH+]2)[OH+]C(=O)[OH+]3.[K+] MOL37542
-CC[N+]1(CC)CCN[Co-4]123([OH+]C(=O)C(=O)[OH+]2)[OH+]C(=O)C(=O)[OH+]3.[K+] MOL37543
-CC1=[O+][Co-4]23(NCCN2CCCNC(=O)c2cccc4cc5ccccc5nc24)([O+]=C(C)C(C)=C(C)[OH+]3)[OH+]C(C)=C1C.[O-][Cl+3]([O-])([O-])[O-] MOL37544
-O=C(NC(CO)CO)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1 MOL37545
-COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O MOL37546
-CCCc1cc(=O)oc2c3c(cc(OS(=O)(=O)c4ccc(C)cc4)c12)OC(C)C(C)C3=O MOL37547
-CCCc1cc(=O)oc2c3c(cc(OC(C)COC)c12)OC(C)C(C)C3O MOL37548
-CCCc1cc(=O)oc2c3c(c4c(c12)OC(N)=C(C#N)C4c1ccccc1)OC(C)C(C)C3=O MOL37549
-O=c1cc[nH]c(=O)n1C1CCC(CO)O1 MOL37550
-NP(=O)(OCc1ccc([N+](=O)[O-])s1)N(CCBr)CCBr MOL37551
-NP(=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr MOL37552
-NP(=O)(OCC1=CC(=O)c2ccccc2C1=O)N(CCBr)CCBr MOL37553
-CCN1CCC(O)(C=Cc2cccc(C)c2)C(C(=O)C=Cc2cccc(C)c2)C1.Cl MOL37554
-CCCCCCCCCCCCCCCC1C[N+](C)(C)CCOP(C)(=O)O1.[Br-] MOL37555
-CCCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.[I-] MOL37556
-O=c1[nH]c(=O)n(COCc2ccccc2)c2ccccc12 MOL37557
-O=c1[nH]c(=O)n(COCc2ccccc2)c2ccc(Br)cc12 MOL37558
-CCCCOCn1c(=O)[nH]c(=O)c2ccccc21 MOL37559
-CCCCOCn1c(=O)[nH]c(=O)c2cc(Br)ccc21 MOL37560
-O=c1[nH]c(=O)n(COCc2ccccc2)c2ccc([N+](=O)[O-])cc12 MOL37561
-Cl.O=c1c2ccccc2ncn1COCc1ccccc1 MOL37562
-Cl.O=c1c2cc(Br)ccc2ncn1COCc1ccccc1 MOL37563
-O=c1[nH]c(=O)n(COCCO)c2ccc(Br)cc12 MOL37564
-CC12C3C4C1C1C2C3C41CO MOL37565
-O=[N+]([O-])c1ncn(F)c1[N+](=O)[O-] MOL37566
-O=[N+]([O-])c1cn(F)c([N+](=O)[O-])n1 MOL37567
-O=[N+]([O-])c1nc(Br)n(F)c1[N+](=O)[O-] MOL37568
-O=[N+]([O-])c1nc(-c2nc([N+](=O)[O-])c([N+](=O)[O-])[nH]2)[nH]c1[N+](=O)[O-] MOL37569
-COc1ccc(N=NC(=O)NC(CC(C)C)C(N)=O)cc1 MOL37570
-COc1ccc(-n2c(=O)[nH]n(C(C)=O)c2=O)cc1 MOL37571
-CC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(Cl)CC=CC(=O)C12C)C(=O)OC35C MOL37572
-CC(=O)NC1C(OC2C(CO)OC(OCC3OC(n4ccc(=N)[nH]c4=O)C(O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1O MOL37573
-CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1 MOL37574
-CSCCCNC(=O)c1csc(-c2csc(C(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)n2)n1 MOL37575
-CNc1ccccc1S(=O)(=O)c1ccccc1C(F)(F)F MOL37576
-CNc1ccc(C)cc1S(=O)(=O)c1ccc(OC)cc1 MOL37577
-CNc1ccccc1S(=O)(=O)c1cc(Cl)ccc1OC MOL37578
-CNc1ccc(Cl)cc1S(=O)(=O)c1ccc(OC)cc1 MOL37579
-CNc1ccc(Cl)cc1S(=O)(=O)c1ccccc1Br MOL37580
-COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)OC)n1 MOL37581
-COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)OC)n1.[Zn] MOL37582
-CN(C)c1cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)nc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)c1.[Zn] MOL37583
-CN(C)c1cc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)nc(CNC(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)c1 MOL37584
-CN(C)c1cc(CNCCc2c[nH]cn2)nc(CNCCc2c[nH]cn2)c1 MOL37585
-CN(C)CCCNCc1cc(N(C)C)cc(CNCCCN(C)C)n1 MOL37586
-CN(C)c1cc(CNCCS)nc(CNCCS)c1.Cl MOL37587
-CN(C)c1cc(CNCCSC(C)(C)C)nc(CNCCSC(C)(C)C)c1 MOL37588
-CN(C)c1cc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)nc(CNCCSC(c2ccccc2)(c2ccccc2)c2ccccc2)c1 MOL37589
-CN(C)c1cc(CN(CCSS(=O)c2ccccc2[N+](=O)[O-])S(=O)c2ccccc2[N+](=O)[O-])nc(CN(CCSS(=O)c2ccccc2[N+](=O)[O-])S(=O)c2ccccc2[N+](=O)[O-])c1 MOL37590
-COC(=O)C(CCSC)NCc1cc(N(C)C)cc(CNC(CCSC)C(=O)OC)n1 MOL37591
-COC(=O)CNCc1cc(N(C)C)cc(CNCC(=O)OC)n1 MOL37592
-CC1=CC(=O)c2c(O)cccc2C1=O MOL37593
-CC1CC(O)C2(O)OC3CC4(C=O)C(CC=C5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1 MOL37594
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc(NO)cc43)[nH]c2c(OC)c1OC MOL37595
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc(NCCN)cc43)[nH]c2c(OC)c1OC.Cl MOL37596
-C=C1CN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)c2cc([N+](=O)[O-])ccc21 MOL37597
-C#CCn1c(I)cc2c(c1=O)COC(=O)C2(O)CC MOL37598
-C=CC(C)(C)NC(C(=O)N1CCCC1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C MOL37599
-C[N+]12CCCCC1C(CN1C(=O)c3ccccc3C1=O)CCC2.[I-] MOL37600
-COc1ccccc1C(=O)NCC1CCCN2CCCCC12 MOL37601
-C[N+]12CCCCC1C(CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2.[I-] MOL37602
-O=C(O)c1ccccc1C(=O)OCC1CCCN2CCCCC12 MOL37603
-CC(C)(C)C(=O)OCC1CCC[N+]2(C)CCCCC12.[I-] MOL37604
-C[N+]12CCCCC1C(COc1cccc3cccnc13)CCC2.[I-] MOL37605
-Cl.O=C(OCC1CCCN2CCCCC12)c1ccncc1 MOL37606
-O=C(O)C1CC(C2CCCCN2)CN2CCCCC12 MOL37607
-CSc1ncc2c(C#N)c3n(C)c4ccccc4n3c(=O)c2n1 MOL37608
-CSc1ncc2c(C#N)c3sc4ccccc4n3c(=O)c2n1 MOL37609
-CSc1ncc2c(C#N)c3ccccn3c(=O)c2n1 MOL37610
-Cc1cc(C(C#N)c2nc3ccccc3s2)nc(Cl)n1 MOL37611
-Cc1cc(C(C#N)c2nc3ccccc3[nH]2)nc(Cl)n1 MOL37612
-N#CC(c1ccccn1)c1nc2ccccc2nc1Cl MOL37613
-N#CC(c1nc2ccccc2s1)c1nc2ccccc2nc1Cl MOL37614
-N#CC(c1nc2ccccc2[nH]1)c1nc2ccccc2nc1Cl MOL37615
-CC1(C)C(=O)C(=Cc2ccccc2)C(C)(C)C1(C)C MOL37616
-COC(=O)C(CCSc1ccccc1)C(=O)OC MOL37617
-CC(C)(C)C(=O)OC(N)C=Cc1ccccc1 MOL37618
-CCCCC1=NNC(=O)C1 MOL37619
-CC1(C)OC(=O)CC(=O)O1 MOL37620
-CCN(CCCN(CC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 MOL37621
-N#CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 MOL37622
-N#CCCN(CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 MOL37623
-COC(=O)C(Cc1ccccc1)NC(=O)N(CCCN(CCC#N)C(=O)NC(C(=O)OC)C(C)C)c1ccccc1 MOL37624
-CNC(=O)N(CCC#N)CCCN(C(=O)NC)c1ccccc1 MOL37625
-N#CCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 MOL37626
-COC(=O)C(Cc1ccccc1)NC(=O)N(CCN(CCC#N)C(=O)NC(C(=O)OC)C(C)C)c1ccccc1 MOL37627
-COC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1 MOL37628
-CNC(=O)N(CCC#N)CCN(C(=O)NC)c1ccccc1 MOL37629
-CCN(CCC#N)C(=O)Nc1ccccc1 MOL37630
-CNC(=O)N(CCC#N)CCCN(C(=O)N(C)C)c1ccccc1 MOL37631
-CNC(=O)N(CCC#N)CCN(C(=O)N(C)C)c1ccccc1 MOL37632
-N#CCCN(C(=O)Nc1ccccc1)C1CCCCC1N(C(=O)Nc1ccccc1)c1ccccc1 MOL37633
-CNC(=O)N(CCC#N)C1CCCCC1N(C(=O)NC)c1ccccc1 MOL37634
-N#CCCN(CCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 MOL37635
-CNC(=O)N(CCC#N)CCN(CCN(C(=O)NC)c1ccccc1)C(=O)NC MOL37636
-CCC(C)C(NC(=O)N(CCC#N)CCN(CCN(C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1)C(=O)NC(C(=O)OC)C(C)C)C(=O)OC MOL37637
-CC(C)(C)OC(=O)NCCNCCNc1ccccc1 MOL37638
-CCn1cnc2c(NC(C)=O)ncnc21 MOL37639
-CNC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC)c2ccccc2)ccc1OC MOL37640
-CCN(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC)c1ccccc1 MOL37641
-CCOC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC)c2ccccc2)ccc1OC MOL37642
-CCN(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)OC)c1ccccc1 MOL37643
-CCN(C(=O)NC(C(=O)NC(C)C(=O)OC)C(C)C)c1ccccc1 MOL37644
-CCN(C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1 MOL37645
-CCN(C(=O)NC(CC(C)C)C(=O)NCC(=O)OC)c1ccccc1 MOL37646
-CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)N(CC)c1ccccc1)C(=O)NC(CC(C)C)C(=O)OC MOL37647
-CCN(C(=O)NC(C(=O)NC(CSC)C(=O)NC(C)C(=O)OC)C(C)C)c1ccccc1 MOL37648
-CCN(C(=S)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)OC)c1ccccc1 MOL37649
-CCN(C(=S)NC(C(=O)NC(C)C(=O)OC)C(C)C)c1ccccc1 MOL37650
-COC(=O)C(C)N1C(=O)NC(C(C)C)C1=O MOL37651
-COC(=O)C(C)NC(=O)C(CSC)N1C(=O)NC(C(C)C)C1=O MOL37652
-N#Cc1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] MOL37653
-[O-][n+]1onc(-c2ccccc2)c1CO MOL37654
-NC(=O)NNCc1c(-c2ccccc2)no[n+]1[O-] MOL37655
-[O-][n+]1onc(-c2ccccc2)c1CN1CCOCC1 MOL37656
-O=C(NN=Cc1c(-c2ccccc2)no[n+]1[O-])N1CCOCC1 MOL37657
-O=c1c2c3c(sc2nc2n1N=CN(c1ccccc1)C2)CCCC3 MOL37658
-Cc1ccc(N2C=Nn3c(nc4sc5c(c4c3=O)CCCC5)C2)cc1 MOL37659
-COc1ccc(N2C=Nn3c(nc4sc5c(c4c3=O)CCCC5)C2)cc1 MOL37660
-O=c1c2c3c(sc2nc2n1N=CN(c1ccc(Cl)cc1)C2)CCCC3 MOL37661
-O=c1c2c3c(sc2nc2n1N=CN(c1ccc(F)cc1)C2)CCCC3 MOL37662
-Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccccc1)C3 MOL37663
-COc1ccc(N2C=Nn3c(nc4sc(C)c(C)c4c3=O)C2)cc1 MOL37664
-Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(Cl)cc1)C3 MOL37665
-Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(F)cc1)C3 MOL37666
-CC[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21 MOL37667
-CC(C)[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21 MOL37668
-CC(C)C[S+]1C2=C(CC(C)(C)CC2=O)[N-]c2ccccc21 MOL37669
-CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S2 MOL37670
-CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccc(Br)cc1 MOL37671
-CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccccc1Cl MOL37672
-C[N+]1=C2[B-](C(C)(C)C)=[N+](C(C)(C)C)[B-]2(C(C)(C)C)[N+](C)=C2[B-](C(C)(C)C)=[N+](C(C)(C)C)[B-]21C(C)(C)C MOL37673
-CC1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2NC1=O MOL37674
-CC(=O)OC(C#N)CC(C)(C)[N+]([O-])=[N+]([O-])C(C)(C)CC(C#N)OC(C)=O MOL37675
-CC(C)(CC(O)C#N)[N+]([O-])=[N+]([O-])C(C)(C)CC(O)C#N MOL37676
-Cc1ccc(S(=O)(=O)c2[nH]cc(C(=CC3CCCCC3)[N+](=O)[O-])c2C2CCCCC2)cc1 MOL37677
-Cc1ccc(S(=O)(=O)c2[nH]cc(-c3c[nH]c(S(=O)(=O)c4ccc(C)cc4)c3C3CCCCC3)c2C2CCCCC2)cc1 MOL37678
-Cc1cn(C2CC(n3ncnn3)C(CO)O2)c(=O)[nH]c1=O MOL37679
-COC(=O)CC1c2ccccc2N2C(=O)Cc3c([nH]c4ccccc34)C12 MOL37680
-COC(=O)Cc1c(-c2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12 MOL37681
-CCOC(=O)C1=[N+]([O-])OC2=C(O)CCCC21 MOL37682
-CC(Cc1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)CC1O MOL37683
-CC(C(=O)ON1C(=O)CCC1=O)c1ccc(C(=O)c2ccccc2)s1 MOL37684
-Cc1cc(NCC(O)C(O)C(O)CO)c(Sc2cc(O)nc(O)n2)cc1C MOL37685
-O=c1c2ncn(C3CC(O)C(CO)O3)c2nnn1Cc1ccccc1[N+](=O)[O-] MOL37686
-COc1ccc(C(OCC2OC(n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1 MOL37687
-CC1CC(=O)CC2CCC3C4CCC(OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C4(C)CCC3C12C MOL37688
-CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2OC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 MOL37689
-CC1C=C2C3CC(C)(C(=O)O)CCC3(C)CCC2(C)C2(C)CCC3C(C)(C)C(OC(=O)c4cccc5c(=O)c6ccccc6[nH]c45)CCC3(C)C12 MOL37690
-CC(=NNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C1CCC2C3CCC4=CC(=NNC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CCC4(C)C3CCC12C MOL37691
-CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 MOL37692
-C#CC1(O)CCC2C3CCC4=CC(=NOC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CCC4C3CCC21C MOL37693
-COc1ccccc1Nc1nc(N)nc(N)c1N=O MOL37694
-COc1cccc(Nc2nc(N)nc(N)c2N=O)c1 MOL37695
-CCOc1ccc(Nc2nc(N)nc(N)c2N=O)cc1 MOL37696
-COc1ccccc1Nc1nc(N)nc(N)c1N MOL37697
-COc1cccc(Nc2nc(N)nc(N)c2N)c1 MOL37698
-CCOc1ccc(Nc2nc(N)nc(N)c2N)cc1 MOL37699
-COc1ccccc1-n1nnc2c(N)nc(N)nc21 MOL37700
-COc1cccc(-n2nnc3c(N)nc(N)nc32)c1 MOL37701
-CCOc1ccc(-n2nnc3c(N)nc(N)nc32)cc1 MOL37702
-COC(=O)CC1C(C)(C)C2OC34CC2C(=O)C1(C)C3CCC1(C)C(c2ccoc2)OC(=O)CC14O MOL37703
-COC(=O)c1ccc(NCC2=CC(=O)C=CC2=O)cc1O MOL37704
-COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1 MOL37705
-COc1ccc2c(C)cc(=O)oc2c1OC MOL37706
-CC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(C)=O MOL37707
-COc1cc(OC)c2c(C)cc(=O)oc2c1 MOL37708
-CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1 MOL37709
-COc1cc2oc(=O)cc(C)c2cc1OC MOL37710
-CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O MOL37711
-COc1cc2oc(=O)cc(C)c2c(OC)c1O MOL37712
-COc1cc2oc(=O)cc(C)c2c(OC)c1OC MOL37713
-COc1cc2oc(=O)cc(C)c2c(OC)c1OC(C)=O MOL37714
-CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1OC(=O)CCC MOL37715
-CCCC(=O)Oc1cc(OC(=O)CCC)c2c(C)cc(=O)oc2c1 MOL37716
-CCOC(=O)Cc1c(C)c2ccc(OC(C)=O)c(OC(C)=O)c2oc1=O MOL37717
-COc1ccc2c(C)cc(=O)oc2c1 MOL37718
-CC(=O)Oc1ccc2c(C)cc(=O)oc2c1 MOL37719
-Cc1cc(=O)oc2cc(O)c(O)cc12 MOL37720
-CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 MOL37721
-CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O MOL37722
-CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC MOL37723
-O=C(O)CCC(NC(=O)c1ccc(CNc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O MOL37724
-CCOC(=O)CCC(NC(=O)c1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1)C(=O)OCC MOL37725
-O=C(O)CCC(NC(=O)c1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1)C(=O)O MOL37726
-CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)OCC MOL37727
-O=C(O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1)C(=O)O MOL37728
-CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC MOL37729
-O=C(O)CCC(NC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1)C(=O)O MOL37730
-COc1cc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc(OC)c1OC MOL37731
-COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1OC MOL37732
-COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1 MOL37733
-O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1 MOL37734
-O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1 MOL37735
-ON=CC1COC2(CCCCC2)O1 MOL37736
-C=CCC(NCc1ccccc1)C(OCc1ccccc1)C1COC(C)(C)O1 MOL37737
-OCC(O)C(OCc1ccccc1)C(NCc1ccccc1)c1cccs1 MOL37738
-CC(=O)OCC(=O)OCC(OCc1ccccc1)C1C(OC(C)=O)C(=O)N1Cc1ccccc1 MOL37739
-CC(c1ccccc1)N1C(=O)C(OCc2ccccc2)C1C(COC(=O)COCc1ccccc1)OCc1ccccc1 MOL37740
-CC(c1ccccc1)N1C(=O)C(O)C1C(CO)OCc1ccccc1 MOL37741
-CCOP(=O)(OCC)C1CC(O)C(=O)N1 MOL37742
-CCOP(=O)(OCC)C1CC(O)CN1OC(=O)C(C)(C)C MOL37743
-C=CC1OC(=O)OC1CO MOL37744
-CC1(C)OCC(C(O)C2OC(C)(C)OC2C=O)O1 MOL37745
-CCOC(=O)C1OC(c2ccccc2)OC1C(=O)OCC MOL37746
-CC1(C)OCC(C(C=O)OCc2ccccc2)O1 MOL37747
-CCC(C)C(NCc1ccccc1)C(OCc1ccccc1)C1COC(C)(C)O1 MOL37748
-CC1C(OCc2ccccc2)COC(=O)N1Cc1ccccc1 MOL37749
-CC(C)CC1C(OCc2ccccc2)COS(=O)N1Cc1ccccc1 MOL37750
-CC(C)CC1C(OCc2ccccc2)COS(=O)(=O)N1Cc1ccccc1 MOL37751
-CC(C)CC1C(OCc2ccccc2)COS(=O)(=O)N1C(C)c1ccccc1 MOL37752
-CCOC(OCC)C(N)C(O)C(O)C1COC(C)(C)O1 MOL37753
-O=C1C(=Cc2cccs2)NC(=S)N1CN1CCCC(CO)C1 MOL37754
-O=C1C(=Cc2ccccc2)NC(=S)N1CN1CCOCC1 MOL37755
-COc1ccc(C=C2NC(=S)N(CN3CCOCC3)C2=O)cc1 MOL37756
-Cc1ccc(C=C2NC(=S)N(CN3CCOCC3)C2=O)cc1 MOL37757
-O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1CN1CCOCC1 MOL37758
-O=C1C(=Cc2cccs2)NC(=S)N1CN1CCOCC1 MOL37759
-O=C1C(=Cc2ccco2)NC(=S)N1CN1CCOCC1 MOL37760
-O=C1C(=Cc2ccccc2)NC(=S)N1CN1CCCCC1 MOL37761
-COc1ccc(C=C2NC(=S)N(CN3CCCCC3)C2=O)cc1 MOL37762
-Cc1ccc(C=C2NC(=S)N(CN3CCCCC3)C2=O)cc1 MOL37763
-O=C1C(=Cc2ccc(Cl)cc2)NC(=S)N1CN1CCCCC1 MOL37764
-O=C1C(=Cc2cccs2)NC(=S)N1CN1CCCCC1 MOL37765
-O=C1C(=Cc2ccco2)NC(=S)N1CN1CCCCC1 MOL37766
-O=C1C(=Cc2ccc(O)cc2)NC(=S)N1CN1CCCCC1 MOL37767
-CSC1=NC(=Cc2ccccc2)C(=O)N1CN1CCOCC1 MOL37768
-COc1ccc(C=C2N=C(SC)N(CN3CCOCC3)C2=O)cc1 MOL37769
-CSC1=NC(=Cc2ccc(C)cc2)C(=O)N1CN1CCOCC1 MOL37770
-CSC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1CN1CCOCC1 MOL37771
-CSC1=NC(=Cc2cccs2)C(=O)N1CN1CCOCC1 MOL37772
-CSC1=NC(=Cc2ccco2)C(=O)N1CN1CCOCC1 MOL37773
-CSC1=NC(=Cc2ccccc2)C(=O)N1CN1CCCCC1 MOL37774
-COc1ccc(C=C2N=C(SC)N(CN3CCCCC3)C2=O)cc1 MOL37775
-CSC1=NC(=Cc2ccc(C)cc2)C(=O)N1CN1CCCCC1 MOL37776
-CSC1=NC(=Cc2ccc(Cl)cc2)C(=O)N1CN1CCCCC1 MOL37777
-CSC1=NC(=Cc2cccs2)C(=O)N1CN1CCCCC1 MOL37778
-CSC1=NC(=Cc2ccco2)C(=O)N1CN1CCCCC1 MOL37779
-Cc1cn(C2CC(N(C)O)C(CO)O2)c(=O)[nH]c1=O MOL37780
-Cc1cn(C2CC(NO)C(CO)O2)c(=O)[nH]c1=O MOL37781
-Cc1cn(C2CC(=NO)C(CO)O2)c(=O)[nH]c1=O MOL37782
-Cc1cn(C(CCO)CCO)c(=O)[nH]c1=O MOL37783
-Cc1cn(C2CC(N(O)C(N)=O)C(CO)O2)c(=O)[nH]c1=O MOL37784
-Cc1cn(C2CC([Se]c3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL37785
-C=CC1(O)CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL37786
-COC(=O)C=C1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O MOL37787
-CCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O MOL37788
-Cc1c(Cc2ccccc2)n(C(C)OCCO)c(=O)[nH]c1=O MOL37789
-CCOC(=O)CCC1(C)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O MOL37790
-Cc1cn(C2CC(N(C)O)C(CO)O2)c(=O)[nH]c1=O MOL37791
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(c5ccc(O)c(C(=O)O)c5)c5ccc(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL37792
-CN(C)CCNS(=O)(=O)c1ccc(N)cc1 MOL37793
-C=C(CBr)CCCOCc1ccccc1 MOL37794
-N#CC(O)CCOCc1ccccc1 MOL37795
-CCCCCCCSCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 MOL37796
-c1ccc(C2OCC(OC3CCCCO3)CO2)cc1 MOL37797
-CCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[PH](=S)OC MOL37798
-CCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[PH](=S)OC MOL37799
-COc1ccc(C2CC(c3c(C)nn(-c4ccccc4)c3-c3ccc(C)cc3O)=NN2c2ccccc2)cc1 MOL37800
-COC(=O)c1cc2c(o1)Sc1ccccc1NC2=O MOL37801
-COC(=O)c1cc2c(=NO)c3ccccc3sc2o1 MOL37802
-CCCCn1c(C)c(C(=O)OCC)c2cc(OCc3ccc(C(=O)Nn4c(C)ccc4C)cc3)c(Br)cc21 MOL37803
-Oc1ccc(O)c(CNc2ccc(C(O)C(F)(F)F)cc2)c1 MOL37804
-c1ccc2c(c1)CCc1c-2n(CCN2CCCCC2)c2ccccc12 MOL37805
-c1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccccc12 MOL37806
-CN(C)CCn1c2c(c3ccccc31)CCc1ccccc1-2 MOL37807
-COc1ccc2c(c1)-c1[nH]c3ccccc3c1CC2 MOL37808
-COc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCCCC1)CC2 MOL37809
-COc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCOCC1)CC2 MOL37810
-COc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3 MOL37811
-COc1ccc2c(c1)c1c(n2CCN2CCCCC2)-c2ccccc2CC1 MOL37812
-COc1ccc2c(c1)c1c(n2CCN(C)C)-c2ccccc2CC1 MOL37813
-COc1ccc2c(c1)-c1[nH]c3ccc(OC)cc3c1CC2 MOL37814
-COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCCN(C)C)CC2 MOL37815
-COc1ccc2c(c1)CCc1c-2[nH]c2ccc(OC)cc12 MOL37816
-COc1ccc2c(c1)CCc1c-2n(CCN2CCCCC2)c2ccc(OC)cc12 MOL37817
-COc1ccc2c(c1)CCc1c-2n(CCN(C)C)c2ccc(OC)cc12 MOL37818
-COc1ccc2[nH]c3c(c2c1)CCc1c(OC)cccc1-3 MOL37819
-COc1ccc2c(c1)c1c(n2CCN2CCCCC2)-c2cccc(OC)c2CC1 MOL37820
-COc1ccc2c(c1)c1c(n2CCN(C)C)-c2cccc(OC)c2CC1 MOL37821
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1 MOL37822
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1 MOL37823
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1 MOL37824
-COc1ccc(N2C(=O)C3c4[nH]c5c(C)cccc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1 MOL37825
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(F)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1 MOL37826
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)C)CC4C3C2=O)cc1 MOL37827
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(OC)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1 MOL37828
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(OCc6ccccc6)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1 MOL37829
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)C)CC4C3C2=O)cc1 MOL37830
-COc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(c5ccccc5)CC4C3C2=O)cc1 MOL37831
-COc1ccc(N2C(=O)C3c4[nH]c5c(C)cccc5c4C4CCC(C(C)C)CC4C3C2=O)cc1 MOL37832
-COc1ccc(N2C(=O)C3c4[nH]c5cccc(Cl)c5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL37833
-C#CCOC(=O)c1ccccc1OC(C)=O MOL37834
-C#CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1 MOL37835
-C#CCOC(=O)c1ccccc1O MOL37836
-CC#CCOC(=O)c1ccccc1OC(C)=O MOL37837
-C#CCCOC(=O)c1ccccc1OC(C)=O MOL37838
-C#CCOC(=O)c1ccc(OC(C)=O)cc1 MOL37839
-C#CCCOC(=O)CC1=C(C)C(=Cc2ccc(S(C)=O)cc2)c2ccc(F)cc21 MOL37840
-C#CCN1C(=O)c2ccccc2S1(=O)=O MOL37841
-CSc1ncc2c(C#N)c3[nH]c4ccccc4n3c(=O)c2n1 MOL37842
-O=C1OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C=C1OC(=O)c1ccccc1 MOL37843
-O=C(OCC(OC(=O)c1ccccc1)C1CC(C(O)C2CCCCC2)C(=O)O1)c1ccccc1 MOL37844
-COC1OC(C(=O)c2ccccc2)C2OC(C)(C)OC12 MOL37845
-c1ccc(COC2C3COC(O3)C(OCc3ccccc3)C2OCc2ccccc2)cc1 MOL37846
-CC1(C)OC2OC(C(=O)c3ccccc3)C3OC(C)(C)OC3C2O1 MOL37847
-CC12CCCC(OC(=O)c3ccc(Br)cc3)C(C1)C(=O)CC2 MOL37848
-CC1(C)OC2C(COCc3ccccc3)C3CC(=O)OC3C2O1 MOL37849
-CC1(C)OCC(CC(O)COCc2ccccc2)O1 MOL37850
-CC12CCC(C(C(O)C3CCCCC3)C1=O)C2(C)C MOL37851
-CC1(CCCCO)C=CC(S(=O)(=O)c2ccccc2)CC1 MOL37852
-O=C(OCC1CC(C2(O)CCCCC2)C(=O)O1)c1ccccc1 MOL37853
-CSC(=S)OC1C(CO[Si](C)(C)C(C)(C)C)OC2OC(C)(C)OC21 MOL37854
-COc1ccc(OC(COCc2ccccc2)CC2COC(C)(C)O2)cc1 MOL37855
-O=C1OC(CS(=O)(=O)c2ccccc2)CC1O MOL37856
-O=C(OCC(OC(=O)c1ccccc1)C1CC(C2(O)CCCCC2)C(=O)O1)c1ccccc1 MOL37857
-COc1ccc(OC(CO)CC2COC(C)(C)O2)cc1 MOL37858
-C=C(C)C1CCC(C)C(O)(C2CC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)OC2=O)C1 MOL37859
-COC(=O)C(C1CCC(OCc2ccccc2)C1(O)COCc1ccccc1)C(C)(O)CCc1ccccc1 MOL37860
-CC1(C)OC2OC(COC(=O)c3ccc(C#N)cc3)C3OC(C)(C)OC3C2O1 MOL37861
-CC1(C)OCC(C2OC(OC(=O)c3ccc([N+](=O)[O-])cc3)C3OC(C)(C)OC23)O1 MOL37862
-CC1(C)OCC(C2OC(OC(=O)c3ccc(C(F)(F)F)cc3)C3OC(C)(C)OC23)O1 MOL37863
-CC12CC(=O)C3C(C(=O)C1)C32C MOL37864
-COC(=O)C1=C(C(=O)OC)C2CCC1CC2=O MOL37865
-CCOC(=O)C12C3CCC1C2C(=O)C3 MOL37866
-COC(=O)C12C(=O)CC3CCC1C32C(=O)OC MOL37867
-CCOC(=O)C1C2CCC1CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 MOL37868
-O=CC12C3CCC1C2C(=O)C3 MOL37869
-OCC1C2CCC3(OCCO3)C12 MOL37870
-C=CCOCC1C2CCC3(OCCO3)C21 MOL37871
-COC(=O)C=CCOCC1C2CCC(=O)C21 MOL37872
-COC1OC(C(=O)O)C2OC(C)(C)OC12 MOL37873
-COC(=O)C12CCCC(=O)C1C1CCCCC12 MOL37874
-N#CC12CCCC(=O)C1C1CCCC12 MOL37875
-COC(=O)C12CCCC(=O)C1C1CCCC12 MOL37876
-COC(=O)C=CCOCC1C2CCC(=O)C21 MOL37877
-CCC(=O)C(C(C)C=CCCSc1ccccc1)C(O)CCCCCC(=O)OC MOL37878
-CCCCC(C)(CC=CC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC)O[Si](C)(C)C MOL37879
-CC(C)[Si](OCCC=CC1CCC(=O)C1C(O)C1CCCCC1)(C(C)C)C(C)C MOL37880
-CC1(C=CCCSc2ccccc2)CC(=O)C2CC1C2(C)C MOL37881
-CCCCCC(C=CC1CCC(=O)C1CC#C[Si](C)(C)C)OCc1ccccc1 MOL37882
-CCCCCC(C=CC1C(O[Si](C)(C)C(C)(C)C)CC(=O)C1C(O)CCCCCC(=O)OC)OCOCCOC MOL37883
-CCCCCC(O)C1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C=CCCOCc1ccccc1 MOL37884
-CCCCCC(C=CC1CCC(=O)C1)OCOCCOC MOL37885
-CC(C)C1CCC(=O)CC1CCCCC1CC(=O)CC1O[Si](C)(C)C(C)(C)C MOL37886
-CCCCCC(C=CC1CC(=O)CC1O[Si](C)(C)C(C)(C)C)OCOCCOC MOL37887
-Fc1ccc(C=C2COCC3=C2NC(=S)NC3c2ccc(F)cc2)cc1 MOL37888
-S=C1NC2=C(COCC2=Cc2cccc(Cl)c2)C(c2cccc(Cl)c2)N1 MOL37889
-S=C1NC2=C(COCC2=Cc2ccccc2Cl)C(c2ccccc2Cl)N1 MOL37890
-O=C1CSC2=NC3=C(COCC3=Cc3ccc(F)cc3)C(c3ccc(F)cc3)N12 MOL37891
-O=C1CSC2=NC3=C(COCC3=Cc3ccc(Br)cc3)C(c3ccc(Br)cc3)N12 MOL37892
-Nc1nc2c(c(-c3ccc(F)cc3)n1)COCC2=Cc1ccc(F)cc1 MOL37893
-Nc1nc2c(c(-c3cccc(Cl)c3)n1)COCC2=Cc1cccc(Cl)c1 MOL37894
-Nc1nc2c(c(-c3ccccc3Cl)n1)COCC2=Cc1ccccc1Cl MOL37895
-Oc1nc2c(c(-c3ccc(F)cc3)n1)COCC2=Cc1ccc(F)cc1 MOL37896
-Oc1nc2c(c(-c3ccc(Br)cc3)n1)COCC2=Cc1ccc(Br)cc1 MOL37897
-Oc1nc2c(c(-c3cccc(Cl)c3)n1)COCC2=Cc1cccc(Cl)c1 MOL37898
-Oc1nc2c(c(-c3ccccc3Cl)n1)COCC2=Cc1ccccc1Cl MOL37899
-O=C1c2scnc2-c2nccc3c2c1nc1ccccc13 MOL37900
-COC(=O)c1ccc2cc(O)ccc2c1 MOL37901
-COC(=O)c1ccc2cc(O)c(O)cc2c1 MOL37902
-O=C(O)c1ccc2c(O)c(O)ccc2c1 MOL37903
-O=C(NCCCNC(=O)c1ccc2c(O)c(O)ccc2c1)c1ccc2c(O)c(O)ccc2c1 MOL37904
-O=C(CCc1ccc(O)cc1)NCCCNC(=O)CCc1ccc(O)cc1 MOL37905
-O=C(CCc1cccc(O)c1)NCCCNC(=O)CCc1cccc(O)c1 MOL37906
-O=C(CCc1cc(O)cc(O)c1)NCCCNC(=O)CCc1cc(O)cc(O)c1 MOL37907
-CC(=O)c1cc(S(=O)(=O)c2ccc(O)c(C(C)=O)c2)ccc1O MOL37908
-O=C(O)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 MOL37909
-O=C(c1ccccc1)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1 MOL37910
-O=C(c1ccccc1)c1ccc(COc2ccc(C(c3c(O)c4ccccc4oc3=O)c3c(O)c4ccccc4oc3=O)cc2)cc1 MOL37911
-O=C(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1 MOL37912
-O=C(NCC(O)COc1ccccc1)c1ccccc1O MOL37913
-O=C1OC(=O)c2cc(S(=O)(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21 MOL37914
-COc1ccc2cc(C(=O)NCCCNC(=O)c3ccc4c(OC)c(OC)ccc4c3)ccc2c1OC MOL37915
-NCCCCC(NC(=O)C(CS)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O MOL37916
-NCCCCC(NC(=O)C(CS)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O MOL37917
-NCCCCC(NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O MOL37918
-NCCCCC1NC(=O)C(CO)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC1=O MOL37919
-O=C(O)c1cc(S(=O)(=O)Nc2cc(Cc3cc(NS(=O)(=O)c4ccc(O)c(C(=O)O)c4)c(O)c(C(=O)O)c3)cc(C(=O)O)c2O)ccc1O.[NaH] MOL37920
-NC(CSSCCO)C(=O)O MOL37921
-O=C(O)C1CSC(c2ccncc2)N1 MOL37922
-CC(C)N(C(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C MOL37923
-CC(C)(C)OC(=O)NNCC(O)COc1ccccc1 MOL37924
-O=C(O)c1ccc2cc(O)ccc2c1 MOL37925
-CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1 MOL37926
-O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1O MOL37927
-O=C(NCCCNC(=O)c1ccccc1O)c1ccccc1O MOL37928
-O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O MOL37929
-CC(C)=CCc1c(O)c(CC2=C(O)C(CC=C(C)C)(C(=O)C(C)C)C(O)=C(C)C2=O)c(O)c(C(=O)C(C)C)c1O MOL37930
-CC(C)CCCC(C)C1CCC2C3=CC(OS(=O)(=O)O)C4(O)CC(O)CCC4(C)C3(O)CCC21C MOL37931
-Nc1cccc(C#Cc2cccc(C#Cc3cccc(N)n3)n2)n1 MOL37932
-CC(C)(C)c1ccc2c(c1)CNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCc2cc(C(C)(C)C)ccc2OC1 MOL37933
-CC(C)(C)c1ccc2c(c1)CNCCNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCCNCc2cc(C(C)(C)C)ccc2OC1 MOL37934
-COc1ccc(O)c(C=NNC(=S)N2CCCCC2)c1 MOL37935
-O=[N+]([O-])c1ccc(O)c(C=NNC(=S)N2CCCCC2)c1 MOL37936
-S=C(NCCc1ccccn1)NN=C(c1ccccc1)c1ccccn1 MOL37937
-CN(CCc1ccccn1)C(=S)NN=C(c1ccccc1)c1ccccn1 MOL37938
-S=C(NN=C(c1ccccc1)c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 MOL37939
-S=C(NN=Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1 MOL37940
-CC(=NNC(=S)N(C)CCc1ccccn1)c1cnccn1 MOL37941
-CC(=NNC(=S)NCCc1ccccn1)c1cnccn1 MOL37942
-CC(=NNC(=S)N(Cc1ccccn1)Cc1ccccn1)c1cnccn1 MOL37943
-COc1ccc(NC(=S)NN=Cc2ccc(NC(C)=O)cc2)cc1 MOL37944
-O=C(NN=C(c1ccccc1)c1ccccn1)NC1CCCCC1 MOL37945
-S=C(NN=C(c1ccccc1)c1ccccn1)NC1CCCCC1 MOL37946
-NNC(=S)NCCNC(=S)NN MOL37947
-CN(CCN(C)C(=S)NN)C(=S)NN MOL37948
-NNC(=S)N1CCN(C(=S)NN)CC1 MOL37949
-CNC(=S)NN=C(C)c1cc(OC)ccc1O MOL37950
-COc1ccc(O)c(C(C)=NNC(=S)N(C)C)c1 MOL37951
-CNC(=S)NN=C(C)c1ccc(OC)cc1O MOL37952
-COc1ccc(C(C)=NNC(=S)N(C)C)c(O)c1 MOL37953
-CNC(=S)NN=C(C)c1cc(OC)c(OC)cc1O MOL37954
-CN1COCc2cc3cc4c(cc3nc21)OCCO4 MOL37955
-CN1Cc2cc3cc4c(cc3nc2N(C)C1)OCCO4 MOL37956
-CC1=CC(C)=[N+]2C(c3ccccc3)=S3[Pt+2]24N1C(c1ccccc1)=S4[Pt+2]31S2=C(c3ccccc3)N3C(C)=CC(C)=[N+]4C(c5ccccc5)=S1[Pt+2]342.[Cl-] MOL37957
-CC1=CC(C)=[N+]2C(c3ccccc3)=[S+][Pd-2]23[S+]=C(c2ccccc2)N13.[Cl-] MOL37958
-Cl.NC1CC(=O)c2c1sc(Cl)c2Cl MOL37959
-Cl.NC1CC(=O)c2c(Br)csc21 MOL37960
-Cl.NC1CC(=O)c2cc(Br)sc21 MOL37961
-O=C1NC2c3c(Cl)sc(Cl)c3C(=NO)C2O1 MOL37962
-Cc1cc2c(s1)C(N)CC2=O.Cl MOL37963
-Cl.NC1CC(=O)c2sc(I)cc21 MOL37964
-Cl.NC1CC(=O)c2c(I)sc(I)c21 MOL37965
-Cl.NC1CC(=O)c2csc(Br)c21 MOL37966
-O=C1NC2c3c(Cl)sc(Cl)c3C(=O)C2O1 MOL37967
-O=C1NC2c3c(Cl)sc(Cl)c3C(O)C2O1 MOL37968
-Cn1c(=O)c2c(nc3sc4ncccc4c(=O)n32)n(C)c1=O MOL37969
-Cn1c(=O)c2c(nc3sc4ccccc4c(=O)n32)n(C)c1=O MOL37970
-COc1ccc2c(c1)OC1c3ccccc3OCC21 MOL37971
-Oc1ccc2c(c1)OCC(O)(c1ccccc1O)C2 MOL37972
-Oc1ccc2c(c1)OCC1c3ccccc3OC21 MOL37973
-CCOC(=O)C1C2NC(=O)NC1(C)Oc1ccccc12 MOL37974
-COC(=O)C1C2NC(=S)NC1(C)Oc1ccccc12 MOL37975
-Br.CC12CC(c3ccccc3O1)N1Cc3ccccc3CSC1=N2 MOL37976
-Br.CC12CC(c3ccccc3O1)N1CCSC1=N2 MOL37977
-Br.CC12CC(c3ccccc3O1)N1CCCSC1=N2 MOL37978
-Br.CC12CC(c3ccccc3O1)N1CCCCSC1=N2 MOL37979
-C#CC1NC(=O)C1N(CC)CC MOL37980
-CCN(CC)C1C(=O)NC1C#Cc1ccccc1 MOL37981
-O=C1NC(c2ccccc2)C1N(Cc1ccccc1)Cc1ccccc1 MOL37982
-CCC1NC(=O)C1NC(=O)OC MOL37983
-CCC1C(NC(=O)OC)C(=O)N1C(C)c1ccccc1 MOL37984
-CC(CCC1=NCCN1)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C MOL37985
-CC(CCC1=NCCN1)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C MOL37986
-CC(CCC1=NCCN1)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C MOL37987
-Cc1ccnc2sc3ccccc3c(=O)c12 MOL37988
-Cc1ccnc2[nH]c3ccccc3c(=O)c12 MOL37989
-Cc1ccnc2c1c(=O)c1ccccc1n2C MOL37990
-c1ccc2c(c1)sc1nccc3ccnc2c31 MOL37991
-O=S1(=O)c2ccccc2-c2nccc3ccnc1c23 MOL37992
-COc1ccc(OC)c2c3c([nH]c12)C(=O)Nc1nc(N)nc(N)c1C3 MOL37993
-CC1(C)CC2C(O)C(CO)=C3C(=O)C(O)C3(C)C2C1 MOL37994
-COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)Cn3c(=O)n(C)c(=O)c4c3nc3c(c(=O)n(C)c(=O)n3C)[n+]4[O-])c2c1 MOL37995
-Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(CC(N)=O)c3nc2n(C)c1=O MOL37996
-Cc1cccc(CP(Cc2cccc(C)c2)CC2(Cp3c4ccccc4c4ccccc43)COC2)c1 MOL37997
-COC(=O)C1=C(C)N2C(C(=O)O)CSC2(C)C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 MOL37998
-COC(=O)C1=C(C)N2C(C(=O)O)COC2(C)C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 MOL37999
-Cn1c(=O)c2sc3cc4c(cc3c2c2ccccc21)sc1c(=O)n(C)c2ccccc2c14 MOL38000
-Cn1c(=O)c2sc3c4sc5c(=O)n(C)c6ccccc6c5c4sc3c2c2ccccc21 MOL38001
-CCCN(CCC)C1CCc2c(ccc3cc[nH]c23)C1 MOL38002
-COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCNc1ccc([N+](=O)[O-])cc1 MOL38003
-FC(F)(F)c1cccnc1Sc1nc2ccccc2s1 MOL38004
-CC(C)C(=O)NCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C MOL38005
-COC(=O)c1cc(=O)n(-c2ccc3nn(C)nc3c2)cc1C(=O)OC MOL38006
-Cn1nc2ccc(Nc3cc(O)nc4ccc5nn(C)nc5c34)cc2n1 MOL38007
-COc1cc2c(SCCN(C)C)nc3ccccc3c2c2ccccc12 MOL38008
-CCN1CCN(c2nc3ccccc3c3c2CCOc2ccccc2-3)CC1 MOL38009
-CN(C)CCCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] MOL38010
-Cc1nc2c(ccc3[nH]c4ccccc4c32)s1 MOL38011
-COC(=O)c1sc2c(=O)c(C(=O)OC)c(C(=O)OC)sc2c(=O)c1C(=O)OC MOL38012
-COc1ccc(C2(CC(C)O)SCCCS2)cc1 MOL38013
-N#CC1=C(C#N)C(=C(C#N)C(C#N)C#N)NC1=N.[NaH] MOL38014
-CCOC(=O)C1=CNC(=C(C)C(=O)OC)SC1C(=O)OCC MOL38015
-CSC1=NC(c2ccccc2)CS1 MOL38016
-CCOP(=O)(OCC)c1ccc(O)nc1-c1cccs1 MOL38017
-CCOP(=O)(OCC)c1c(C(=O)OC)cc(O)nc1-c1ccc(C)cc1 MOL38018
-CC1c2cc(c3c(c2O)CN(C(C)C2CCCCC2)CO3)C(C)c2cc(c3c(c2O)CN(C(C)C2CCCCC2)CO3)C(C)c2cc(c3c(c2O)CN(C(C)C2CCCCC2)CO3)C(C)c2cc1c1c(c2O)CN(C(C)C2CCCCC2)CO1 MOL38019
-COC(=O)C12CSCC1(C(=O)OC)NC(c1ccccc1O)C2 MOL38020
-C1CSC2=C(S1)SC1=C(S2)SC(=C2SC3=C(SC4=C(SCCS4)S3)S2)S1 MOL38021
-C1COC2SC3=C(SC(=C4SC5=C(SCCS5)S4)S3)SC2O1 MOL38022
-CC(=O)n1nc(-c2[nH]c(C)c(-c3nn(C(C)=O)c(=S)o3)c2C)oc1=S MOL38023
-NC(=O)c1ncn2c1CNC(=O)C2 MOL38024
-O=c1[nH]c2nc[nH]c2c(=O)n1C1CCCCC1 MOL38025
-Nn1c(=O)[nH]c2ncn(Cc3ccccc3)c2c1=O MOL38026
-COC(=O)C1C(C(=O)OC)C2(OC(c3ccc(Cl)cc3)=CC2=O)C12OC(c1ccc(Cl)cc1)=CC2=O MOL38027
-CCOc1ccc(C(=O)C=C2Nc3ccccc3NC2=CC(=O)c2ccc(OCC)cc2)cc1 MOL38028
-CC(C)(C)c1cc(-c2cc(C(C)(C)C)[nH]n2)[nH]n1 MOL38029
-Sc1nnc2c(n1)[nH]c1ccc(Br)cc12 MOL38030
-O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(NCc2cc(O)ccc2O)cc1 MOL38031
-CC(=O)c1ccc(NCc2cc(O)ccc2O)cc1 MOL38032
-C=C1CCC=C(C(=O)O)CCC2C1CC2(C)C MOL38033
-CSc1ncnc2c1cnn2CCCCO MOL38034
-CNc1ncnc2c1cnn2CCCCO MOL38035
-COC1(OC)c2occc2C(=N)c2ccc(=O)oc21 MOL38036
-CC(=O)NCCCCN(CCCNC(C)=O)C(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12 MOL38037
-COc1cccc2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccc([N+](=O)[O-])cc3nc12 MOL38038
-COc1cccc2c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccc([N+](=O)[O-])cc3nc12 MOL38039
-COc1cccc2c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12 MOL38040
-COc1cccc2c(NNc3ccccc3)c3ccc([N+](=O)[O-])cc3nc12 MOL38041
-COc1cccc2c(NNc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3nc12 MOL38042
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c2c1 MOL38043
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2c1 MOL38044
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(Nc3ccc(S(=O)(=O)NC(C)=O)cc3)c2c1 MOL38045
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccccc3)c2c1 MOL38046
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccc(Cl)cc3)c2c1 MOL38047
-COc1ccc2nc3cc([N+](=O)[O-])ccc3c(NNc3ccc([N+](=O)[O-])cc3)c2c1 MOL38048
-O=C1CCCCCC1=Cc1ccccc1 MOL38049
-COc1ccc(C=C2CCCCCC2=O)cc1 MOL38050
-COc1cccc(C=C2CCCCCC2=O)c1 MOL38051
-Cc1ccc(C=C2CCCCCC2=O)cc1 MOL38052
-Cc1cccc(C=C2CCCCCC2=O)c1 MOL38053
-O=C1CCCCCC1=Cc1ccc(Cl)cc1 MOL38054
-O=C1CCCCCC1=Cc1cccc(Cl)c1 MOL38055
-O=C1CCCCCC1=Cc1ccc(F)cc1 MOL38056
-O=C1CCCCCC1=Cc1cccc(F)c1 MOL38057
-O=C1CCCCCC1=Cc1ccc([N+](=O)[O-])cc1 MOL38058
-O=C1CCCCCC1=Cc1cccc([N+](=O)[O-])c1 MOL38059
-CN(C)c1ccc(C=C2CCCCCC2=O)cc1 MOL38060
-O=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccccc2)cc1 MOL38061
-O=C(C=Cc1ccccc1)Oc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1 MOL38062
-COc1ccc(C=CC(=O)c2ccc(OC(=O)C=Cc3ccccc3)cc2)cc1 MOL38063
-CN(C)Cc1cc(C=CC(=O)c2ccc(Cl)c(Cl)c2)cc(CN(C)C)c1O.Cl MOL38064
-CN(C)Cc1cc(C=CC(=O)c2ccc(Br)cc2)cc(CN(C)C)c1O.Cl MOL38065
-COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(CNC(=S)NCc2cccc(CNC(=S)NCc3ccccc3)c2)cc1 MOL38066
-Cc1ccccc1C(O)(c1nccn1C)c1nccn1C MOL38067
-CCc1c(CNC2=NCCN2)c(CC)c(CNC2=NCCN2)c(CC)c1CNC1=NCCN1.Cl MOL38068
-CCc1c(CN)c(CC)c(CNC2=NCCN2)c(CC)c1CNC1=NCCN1.Cl MOL38069
-Cc1cn(C2CC(N)C(CN)O2)c(=O)[nH]c1=O MOL38070
-O=[N+]([O-])c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 MOL38071
-CN(C)c1n2c3cc([N+](=O)[O-])ccc3[n+]3c(N(C)C)n4ccccc4c3c2c2cccc[n+]12.[O-][Cl+3]([O-])([O-])[O-] MOL38072
-Cc1cc2c(cc1C)[n+]1c(N(C)C)n3ccccc3c1c1c3cccc[n+]3c(N(C)C)n21.[O-][Cl+3]([O-])([O-])[O-] MOL38073
-COC(=O)[n+]1cc2c3ccccn3c(N(C)C)[n+]2c2ccccc21.[O-][Cl+3]([O-])([O-])[O-] MOL38074
-COC(=O)c1ccn2c(N(C)C)[n+]3ccc(C(=O)OC)cc3c2c1.[O-][Cl+3]([O-])([O-])[O-] MOL38075
-O=C(O)C(F)(F)F.c1ccc2cc(CNCCCCNCCCNCc3ccc4ccccc4c3)ccc2c1 MOL38076
-O=C(O)C(F)(F)F.c1ccc(CNCCCCNCCCNCc2ccccc2)cc1 MOL38077
-O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1 MOL38078
-O=C(O)C(F)(F)F.c1ccc(CNCCCNCCCCNCCCNCc2ccccc2)cc1 MOL38079
-CCOC(=O)C(C)c1nc2cc(N3CCOCC3)c(F)cc2nc1O MOL38080
-CCOC(=O)C(C)c1nc2cc(F)c(N3CCOCC3)cc2nc1O MOL38081
-CCOC(=O)c1nc2cc(N3CCOCC3)c(F)cc2nc1O MOL38082
-CCOC(=O)c1nc2cc(F)c(N3CCOCC3)cc2nc1O MOL38083
-Clc1c2ncccc2cc2nn[nH]c12 MOL38084
-CCOC(=O)c1nc2c(Cl)c3ncccc3cc2nc1O MOL38085
-CC(=O)Oc1c(C)c2c(c3ccccc13)OC(C)(C)C2 MOL38086
-CC(=O)Oc1c(C)c2c(c3ncccc13)OC(C)C2 MOL38087
-COC1Cc2c(C)c(OC(C)=O)c3cccnc3c2O1 MOL38088
-CC1(C)OC(=O)c2cc(C(=CCCO)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1 MOL38089
-CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCCCC1)c1ccccc1 MOL38090
-O=C(c1ccc(Cl)cc1)N(C(=O)N1CCCCC1)c1ccccc1 MOL38091
-O=C(c1ccc(Cl)cc1Cl)N(C(=O)N1CCCCC1)c1ccccc1 MOL38092
-O=C(c1ccco1)N(C(=O)N1CCCCC1)c1ccccc1 MOL38093
-O=C(c1cccs1)N(C(=O)N1CCCCC1)c1ccccc1 MOL38094
-CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 MOL38095
-O=C(c1ccc(Cl)cc1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 MOL38096
-O=C(c1ccco1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 MOL38097
-O=C(c1cccs1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 MOL38098
-O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)C1=S MOL38099
-O=C(c1cccs1)N1CCCN(C(=O)c2cccs2)C1=S MOL38100
-CC(C)(C)C(=O)N(C(=S)OCc1ccccn1)c1ccccc1 MOL38101
-O=C(c1ccc(Cl)cc1)N(C(=S)OCc1ccccn1)c1ccccc1 MOL38102
-O=C(c1ccco1)N(C(=S)OCc1ccccn1)c1ccccc1 MOL38103
-O=C(c1cccs1)N(C(=S)OCc1ccccn1)c1ccccc1 MOL38104
-COc1cc(C(=O)N(C(=S)OCc2ccccn2)c2ccccc2)cc(OC)c1OC MOL38105
-CCOC(=O)c1c(SCc2cc(O)nc(O)n2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O MOL38106
-O=c1c(-c2ccccc2)c(SCc2cc(O)nc(O)n2)n(-c2ccccc2)c(=S)n1-c1ccccc1 MOL38107
-CCOC(=O)CON=CC1=CC(=O)C2CC1C2(C)C MOL38108
-CC1(C)C2CC1C(C=NOCC(=O)O)=CC2=O MOL38109
-CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 MOL38110
-CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2 MOL38111
-CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 MOL38112
-CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 MOL38113
-CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 MOL38114
-CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 MOL38115
-CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2 MOL38116
-CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2c1CCCC2 MOL38117
-CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 MOL38118
-CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(C)C2 MOL38119
-CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCN(C)C2 MOL38120
-CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CCN(C)C2 MOL38121
-CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCN(C)C2 MOL38122
-CN1CCc2c(sc3nc(Nc4ccccc4)n(N)c(=O)c23)C1 MOL38123
-Cc1ccc(Cl)c2c(=O)c3ccc([N+](=O)[O-])cc3sc12 MOL38124
-Cc1ccc(Cl)c2c(=O)c3ccc(N)cc3sc12 MOL38125
-CC(=O)Nc1nc2c(=O)c3ccccc3sc2s1 MOL38126
-N=c1[nH]c2c(=O)c3ccccc3sc2s1 MOL38127
-CC(=O)Nc1ncc(Sc2ccccc2C(=O)O)s1 MOL38128
-N=c1[nH]cc(Sc2ccccc2C(=O)O)s1 MOL38129
-Cc1cn(C2OC(CO)(C(F)(F)F)C(O)C2O)c(=O)[nH]c1=O MOL38130
-Cc1cn(C2CC(O)C(CO)(C(F)(F)F)O2)c(=O)[nH]c1=O MOL38131
-COc1ncnc2c1ncn2C1OC(CO)(C(F)(F)F)C(O)C1O MOL38132
-COc1ncnc2c1ncn2C1CC(O)C(CO)(C(F)(F)F)O1 MOL38133
-Nc1ncnc2c1ncn2C1OC(CO)(C(F)(F)F)C(O)C1O MOL38134
-Nc1ncnc2c1ncn2C1CC(O)C(CO)(C(F)(F)F)O1 MOL38135
-Nc1nc(O)c2ncn(C3OC(CO)(C(F)(F)F)C(O)C3O)c2n1 MOL38136
-OCC1(C(F)(F)F)OC(n2cnc3c(O)ncnc32)CC1O MOL38137
-OCC1(C(F)(F)F)OC(n2cncn2)CC1O MOL38138
-Cc1cn(C2C=CC(CO)(C(F)(F)F)O2)c(=O)[nH]c1=O MOL38139
-Cc1cn(C2CCC(CO)(C(F)(F)F)O2)c(=O)[nH]c1=O MOL38140
-CC1(CO)CCC(n2ccc(=N)[nH]c2=O)O1 MOL38141
-Cc1cn(C2COC(C)(CO)O2)c(=O)[nH]c1=O MOL38142
-Cc1cn(C2C(CO)C(CO)C2(F)F)c(=O)[nH]c1=O MOL38143
-Nc1ncnc2c1ncn2C1C(CO)C(CO)C1(F)F MOL38144
-Nc1ncnc2c1ncn2C1OC2CSCC2(O)C1O MOL38145
-Nc1ncnc2c1ncn2C1OC2CSCCC2(O)C1O MOL38146
-Nc1ncnc2c1ncn2C1OC2(CCSC2)C(O)C1O MOL38147
-COC1OC(CCC2NC(CO)C(O)C(O)C2O)C(O)C(O)C1O.Cl MOL38148
-Cl.OCC1NC(CC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O MOL38149
-CC[N+](CC)(CC)CC.O=[Re+]12([SH+]CC[SH+]1)[SH+]CC[SH+]2 MOL38150
-O=c1sc2c(s1)SSSSS2 MOL38151
-COc1ccc(C=NNc2nnc3c(n2)c2ccccc2c2nn(-c4ccccc4Cl)nc23)cc1 MOL38152
-CCOC(=O)C(C)c1nc2c(Cl)c3ncccc3cc2nc1O MOL38153
-Cc1ccc2nc(C(C)C)c(O)nc2c1 MOL38154
-CC(C)c1nc2cc(C(F)(F)F)ccc2nc1O MOL38155
-CC(C)(C)C(O)=Cc1nc2ccc(C(F)(F)F)cc2nc1O MOL38156
-CC(C)(C)C(O)=Cc1nc2cc(C(F)(F)F)ccc2nc1O MOL38157
-Br.C(=NNC1=NCCCN1)c1ccc(-c2cn3cc(C=NNC4=NCCCN4)ccc3n2)cc1 MOL38158
-Br.C(=Cc1ccc(-c2cn3cc(C=CC=NNC4=NCCN4)ccc3n2)cc1)C=NNC1=NCCN1 MOL38159
-Br.C(=Cc1ccc(-c2cn3cc(C=CC=NNC4=NCCCN4)ccc3n2)cc1)C=NNC1=NCCCN1 MOL38160
-Cl.N=C(c1ccc(-c2cn3cc(C(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1 MOL38161
-Cl.N=C(C=Cc1ccc(-c2cn3cc(C=CC(=N)N4CCCC4)ccc3n2)cc1)N1CCCC1 MOL38162
-Cl.N=C(C=Cc1ccc(-c2cn3cc(C=CC(=N)N4CCOCC4)ccc3n2)cc1)N1CCOCC1 MOL38163
-O=C(NN=Cc1cccs1)c1ccncc1 MOL38164
-O=C(NN=Cc1ccc([N+](=O)[O-])s1)c1ccncc1 MOL38165
-Cc1ccc(C=NNC(=O)c2ccncc2)s1 MOL38166
-Cc1ccc(C2SCC(=O)N2NC(=O)c2ccncc2)s1 MOL38167
-O=C(NN1C(=O)CSC1c1ccco1)c1ccncc1 MOL38168
-O=C(NN=Cc1ccccn1)c1ccncc1 MOL38169
-O=C(NN=Cc1cccnc1)c1ccncc1 MOL38170
-O=C(NN=Cc1ccncc1)c1ccncc1 MOL38171
-O=C(NN=Cc1ccco1)c1ccncc1 MOL38172
-O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccncc1 MOL38173
-O=C(NN=Cc1ccc[nH]1)c1ccncc1 MOL38174
-c1cc(C2=NN[Ni-2]3(NN=C(c4ccncc4)[OH+]3)[OH+]2)ccn1 MOL38175
-CC1=[N+]2N=C(c3ccncc3)[OH+][Cu-5]234(O)[OH+]C(c2ccncc2)=N[N+]3=C(C)c2cccc1[n+]24 MOL38176
-CC1=[N+]2N=C(c3ccccc3)[OH+][Cu-5]234(O)[OH+]C(c2ccccc2)=N[N+]3=C(C)c2cccc1[n+]24 MOL38177
-CC1=[N+]2N=C(c3ccccc3)[OH+][Ni-4]234(O)[OH+]C(c2ccccc2)=N[N+]3=C(C)c2cccc1[n+]24 MOL38178
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCCC3 MOL38179
-Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCC4)cc1 MOL38180
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCC3 MOL38181
-Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCC4)cc1 MOL38182
-COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCC4)cc1 MOL38183
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCCCC3 MOL38184
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)CCCCC3 MOL38185
-Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCCC4)cc1 MOL38186
-COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)CCCCC4)cc1 MOL38187
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCCC3 MOL38188
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)-c1ccccc1CC3 MOL38189
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccc(Cl)cc1)-c1ccccc1CC3 MOL38190
-Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2CC4)cc1 MOL38191
-COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2CC4)cc1 MOL38192
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)CCC3 MOL38193
-COc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2C4)cc1 MOL38194
-Cc1ccc(N=Nc2c(=N)[nH]n3cc4c(nc23)-c2ccccc2C4)cc1 MOL38195
-N=c1[nH]n2cc3c(nc2c1N=Nc1ccccc1)-c1ccccc1C3 MOL38196
-c1ccc2c(c1)nc1nc3c(cn12)CCCC3 MOL38197
-N#Cc1c2c(cn3c1nc1ccccc13)CCCC2 MOL38198
-c1nc2nc3c(cn2n1)CCCCC3 MOL38199
-c1nc2nc3c(cn2n1)CCCC3 MOL38200
-c1ccc2c(c1)nc1nc3c(cn12)CCCCC3 MOL38201
-N#Cc1c2c(cn3c1nc1ccccc13)Cc1ccccc1-2 MOL38202
-c1ccc2c(c1)Cc1cn3c(nc1-2)nc1ccccc13 MOL38203
-N#Cc1c2c(cn3c1nc1ccccc13)CCCCC2 MOL38204
-c1ccc2c(c1)Cc1cn3ncnc3nc1-2 MOL38205
-N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCCC2 MOL38206
-N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCCCC2 MOL38207
-N#Cc1cc2c(n(NS(=O)(=O)c3ccccc3)c1=O)CCC2 MOL38208
-Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCCC3)cc1 MOL38209
-Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCCCC3)cc1 MOL38210
-Cc1ccc(S(=O)(=O)Nn2c3c(cc(C#N)c2=O)CCC3)cc1 MOL38211
-O=C(c1ccccc1)c1cc2c(nc1O)CCCCC2 MOL38212
-O=C(c1ccccc1)c1cc2c(nc1O)CCCCCC2 MOL38213
-O=C(c1ccc(Cl)cc1)c1cc2c(nc1O)CCCCC2 MOL38214
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC.[Cl-] MOL38215
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC.[Cl-] MOL38216
-CCCN1CCN[Cr]123([O+]=C(C)[CH-]C(C)=[O+]2)[O+]=C(C)[CH-]C(C)=[O+]3.[O-][Cl+3]([O-])([O-])[O-] MOL38217
-COc1cc(C=CC(=O)OCC(Br)C(OC(C)=O)c2ccc3c(c2)OCO3)cc(OC)c1OC MOL38218
-CC1(CO)OC(n2cnc3cncnc32)CC1O MOL38219
-O=C1c2cccnc2S(=O)(=O)N1c1ccc(Br)cc1 MOL38220
-O=C1c2cccnc2S(=O)N1Cc1ccccc1 MOL38221
-COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1cn(-c2ccccc2)nc1-c1ccccc1 MOL38222
-CCOC(=O)c1c(C)nc2c(c1-c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)c1ccccc1-2 MOL38223
-COc1cc(C2=C(C)C3CN(CC=C3c3ccc(Cl)cc3)C2)c(S(=O)(=O)O)cc1OC MOL38224
-CCOC(=O)C1C(c2ccccc2)N(C)OC1(c1ccccc1)C(F)(F)F MOL38225
-Cn1c(NS(=O)(=O)c2ccccc2)nc2ccccc21 MOL38226
-Cn1c(=NS(=O)(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc21 MOL38227
-O=S(=O)(Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1 MOL38228
-CC(=O)C(=NNc1ccc(Cl)cc1)C(C)=Nc1ccc(C)cc1 MOL38229
-CN(C)C=Cc1ccncc1 MOL38230
-O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cccc12 MOL38231
-O=c1c2ccc(Cl)cc2oc2c(CNc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cccc12 MOL38232
-NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 MOL38233
-CC(=O)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 MOL38234
-N=C(N)NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 MOL38235
-COc1ccccc1NCc1cccc2c(=O)c3ccc(Cl)cc3oc12 MOL38236
-COc1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1 MOL38237
-O=c1c2ccc(Cl)cc2oc2c(CSc3ccccc3)cccc12 MOL38238
-O=C(O)c1ccccc1SCc1cccc2c(=O)c3ccc(Cl)cc3oc12 MOL38239
-CCCNc1c(Cl)cc(Cl)c2[nH]c3ccccc3c(=O)c12 MOL38240
-O=c1c2ccccc2[nH]c2c(Cl)cc(Cl)c(NC3CCCCC3)c12 MOL38241
-O=c1c2ccccc2[nH]c2c(Cl)cc(Cl)c(N3CCCCC3)c12 MOL38242
-CN1CCN(c2c(Cl)cc(Cl)c3[nH]c4ccccc4c(=O)c23)CC1 MOL38243
-Nc1nncc2[nH]cnc12 MOL38244
-CNc1nncc2[nH]cnc12 MOL38245
-CN(C)c1nncc2[nH]cnc12 MOL38246
-c1ccc(CNc2nncc3[nH]cnc23)cc1 MOL38247
-CN(C)C=Nc1nncc2[nH]cnc12 MOL38248
-NNc1nncc2[nH]cnc12 MOL38249
-Nc1nncc2[nH]nnc12 MOL38250
-CN(C)c1nncc2[nH]nnc12 MOL38251
-CN(C)C=Nc1nncc2[nH]nnc12 MOL38252
-NNc1nncc2[nH]nnc12 MOL38253
-CSc1nncc2[nH]cnc12 MOL38254
-O=[N+]([O-])c1ccc(CSc2nncc3nc[nH]c23)cc1 MOL38255
-Cn1cnc([N+](=O)[O-])c1Sc1nncc2[nH]cnc12 MOL38256
-CSc1nn(C)cc2ncnc1-2 MOL38257
-C=CCSc1nn(CC=C)cc2ncnc1-2 MOL38258
-O=[N+]([O-])c1ccc(CSc2nn(Cc3ccc([N+](=O)[O-])cc3)cc3ncnc2-3)cc1 MOL38259
-Cc1nc2c(=O)n(C)ncc2[nH]1 MOL38260
-Cn1ncc2[nH]cnc2c1=S MOL38261
-Cc1nc2c(=S)n(C)ncc2[nH]1 MOL38262
-CSc1n[n+](C)cc(N)c1N.[I-] MOL38263
-Cc1nc2c(O)nncc2[nH]1 MOL38264
-Cc1nc2c(S)nncc2[nH]1 MOL38265
-CSc1nncc2[nH]c(C)nc12 MOL38266
-CSc1nn(C)cc2nc(C)nc1-2 MOL38267
-CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2[N+](=O)[O-])cc1 MOL38268
-CC(=O)NS(=O)(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 MOL38269
-COC(=O)C(Cc1c[nH]c2ccccc12)NP(=O)(O)CCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL38270
-N=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1 MOL38271
-S=C(NC1=NCC(CN2CCN(c3ccccc3)CC2)O1)Nc1ccccc1 MOL38272
-O=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=S)Nc1ccccc1 MOL38273
-N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1 MOL38274
-Cc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O MOL38275
-COc1cc(N(CCC#N)CCC#N)ccc1C=C1SC(=S)NC1=O MOL38276
-N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1Br MOL38277
-CN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1 MOL38278
-O=C(O)CCN(CCC(=O)O)c1ccc(C=C2SC(=S)NC2=O)cc1 MOL38279
-O=c1cc(-c2ccccc2)oc2c1ccc1nc3ccccc3c(O)c12 MOL38280
-O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc([N+](=O)[O-])cc1 MOL38281
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1cccc([N+](=O)[O-])c1 MOL38282
-Cc1ccc(C=Nn2c(-c3ccc(C)cc3)n[nH]c2=O)cc1 MOL38283
-O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1Cl MOL38284
-O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12 MOL38285
-O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12 MOL38286
-O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCCCNc3c4ccccc4nc4cccc([N+](=O)[O-])c34)c12 MOL38287
-S=C(c1c[nH]c2ccccc12)N1CCCCC1 MOL38288
-S=C(c1c[nH]c2ccccc12)N1CCOCC1 MOL38289
-S=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1 MOL38290
-S=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 MOL38291
-O=c1oc2ccccc2n1CCCn1c(=O)oc2ccccc21 MOL38292
-CCCCN=C(c1ccccc1)N1CCOCC1 MOL38293
-Fc1ccc(C(=NCc2ccccc2)N2CCOCC2)cc1 MOL38294
-O=C(Cn1c(=O)oc2ccccc21)N(c1ccccc1)c1ccccc1 MOL38295
-O=C(CN1CCOCC1)c1ccc2[nH]c(=O)oc2c1 MOL38296
-O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1 MOL38297
-CN(C)CCn1c(=O)oc2cc(C(=O)CN3CCOCC3)ccc21 MOL38298
-NC(=O)Cn1c(=O)oc2cc(C(=O)CN3CCOCC3)ccc21 MOL38299
-O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCOCC1 MOL38300
-O=C(Cc1ccccc1)c1ccc2[nH]c(=O)oc2c1 MOL38301
-O=C(CN1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 MOL38302
-CC(=O)c1ccc2c(c1)oc(=O)n2CCN(C)C MOL38303
-O=c1[nH]c2ccc(CC(=S)N3CCOCC3)cc2o1 MOL38304
-O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2o1 MOL38305
-O=c1oc2ccccc2n1CCN1CCCCC1 MOL38306
-CC(=O)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1 MOL38307
-O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCCC1 MOL38308
-O=C(CN1CCCCC1)c1ccc2[nH]c(=O)oc2c1 MOL38309
-CC(Cn1c(=O)oc2ccccc21)N(C)C MOL38310
-O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)oc2c1 MOL38311
-Cn1c(=O)oc2cc(C(=S)N3CCCCC3)ccc21 MOL38312
-Cn1c(=O)sc2cc(C(=S)N3CCOCC3)ccc21 MOL38313
-Cn1c(=O)oc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21 MOL38314
-Cn1c(=O)sc2cc(C(=S)N3CCCCC3)ccc21 MOL38315
-Cn1c(=O)sc2cc(C(=S)N3CCN(c4ccccc4)CC3)ccc21 MOL38316
-Cn1c(=O)sc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21 MOL38317
-O=c1[nH]c2ccc(CC(=S)N3CCOCC3)cc2s1 MOL38318
-O=c1[nH]c2ccc(CC(=S)N3CCCCC3)cc2s1 MOL38319
-O=C(O)c1ccc2[nH]c(=O)oc2c1 MOL38320
-O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2s1 MOL38321
-O=Cc1ccc2[nH]c(=O)oc2c1 MOL38322
-N#Cc1nc(C2CCC(=O)O2)oc1N MOL38323
-CC(=O)Nc1oc(C)nc1C#N MOL38324
-N#Cc1nc(-c2ccccc2O)oc1N MOL38325
-N#Cc1nc(C2SCCCS2)oc1N MOL38326
-CCCCCCCCCCCCCCCCCc1nc(C#N)c(N)o1 MOL38327
-N#Cc1nc(C(=O)c2ccccc2)oc1N MOL38328
-N#Cc1nc(-c2cnccn2)oc1N MOL38329
-N#Cc1nc(C=Cc2cccs2)oc1N MOL38330
-N#Cc1nc(Cc2cccs2)oc1N MOL38331
-N#Cc1nc(-c2ccsc2)oc1N MOL38332
-CCOC(=O)C=Cc1nc(C#N)c(N)o1 MOL38333
-N#Cc1ncoc1N MOL38334
-COc1cc(C=C2CCC(C)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC MOL38335
-COc1cc(C=C2CCC(C)C3=C2NC(=S)NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL38336
-COc1cc(C=C2CCC(C)C3=C2N=c2sc(=Cc4ccc(Cl)cc4)c(=O)n2C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL38337
-CC1CCC(=Cc2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1 MOL38338
-CC1CCC(=Cc2ccc(Cl)cc2)C2=C1C(c1ccc(Cl)cc1)N1C(=O)CSC1=N2 MOL38339
-CC1CCCC2=C1C(c1ccc(Cl)cc1)n1c(sc(=Cc3ccc(Cl)cc3)c1=O)=N2 MOL38340
-COc1cc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2C)N=3)cc(OC)c1OC MOL38341
-CC1CCC(=Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(F)cc1 MOL38342
-CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)NC(=S)N2 MOL38343
-CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)N1C(=O)CSC1=N2 MOL38344
-CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)n1c(sc(=Cc3ccc(Cl)cc3)c1=O)=N2 MOL38345
-CC1CCC(=Cc2ccc(F)cc2)C2=C1C(c1ccc(F)cc1)n1c(sc(=Cc3cccc(Br)c3)c1=O)=N2 MOL38346
-COc1ccc(C=C2CCC(C)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1OC MOL38347
-COc1ccc(C=C2CCC(C)C3=C2NC(=S)NC3c2ccc(OC)c(OC)c2)cc1OC MOL38348
-COc1ccc(C=C2CCC(C)C3=C2N=c2sc(=Cc4cccc(Br)c4)c(=O)n2C3c2ccc(OC)c(OC)c2)cc1OC MOL38349
-CC1CCC(=Cc2ccc(N(C)C)cc2)C(=O)C1=Cc1ccc(N(C)C)cc1 MOL38350
-CC1CCC(=Cc2ccc(N(C)C)cc2)C2=C1C(c1ccc(N(C)C)cc1)NC(=S)N2 MOL38351
-COc1cc(C=C2CCC(C)C3C2=NN(C(C)=O)C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL38352
-COc1ccc(C=C2CCC(C)C3C2=NN(c2ccccc2)C3c2ccc(OC)c(OC)c2)cc1OC MOL38353
-CC1CCC(=Cc2ccc(Cl)cc2)c2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c21 MOL38354
-COc1ccc(C=C2CCC(C)c3c2nc(N)c(C#N)c3-c2ccc(OC)c(OC)c2)cc1OC MOL38355
-COc1cc(C=C2CCC(C)c3c2nc(N)c(C#N)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC MOL38356
-CC1CCC(=Cc2ccc(Cl)cc2)C2OC(N)=C(C#N)C(c3ccc(Cl)cc3)=C12 MOL38357
-COc1cc(C=C2CCC(C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)OC23)cc(OC)c1OC MOL38358
-COc1cc(C2OC(N)=C(C#N)C3=C2C(C)CCC3)cc(OC)c1OC MOL38359
-COc1ccc(C2OC(N)=C(C#N)C3=C2C(C)CCC3)cc1OC MOL38360
-COc1ccc(C2NC(N)=C(C#N)C3=C2C(C)CCC3)cc1OC MOL38361
-COc1ccc(C=C2CCC(C)C3=C(c4ccc(OC)c(OC)c4)C(C#N)=C(N)OC23)cc1OC MOL38362
-COc1ccc(C2OC(N)=C(C#N)C3=C2CCCC3C)cc1OC MOL38363
-CC1CCCc2c(C#N)c(N)nc(-c3ccc(Cl)cc3)c21 MOL38364
-CC1CCCc2c(-c3ccc(Cl)cc3)nc(N)c(C#N)c21 MOL38365
-O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1 MOL38366
-COC(=O)C1CC([Se]c2ccccc2)CN1C(=O)OCc1ccccc1 MOL38367
-COC(=O)C1CC([Se]c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 MOL38368
-COC(=O)C1C=CCN1S(=O)(=O)c1ccc(C)cc1 MOL38369
-COC(=O)C1C2OC(C)(C)OC2CN1C(=O)OCc1ccccc1 MOL38370
-CC1(C)OC2CN(C(=O)OCc3ccccc3)C(CO)C2O1 MOL38371
-COC(=O)C1C2OC(C)(C)OC2CN1S(=O)(=O)c1ccc(C)cc1 MOL38372
-Cc1ccc(S(=O)(=O)N2CC3OC(C)(C)OC3C2CO)cc1 MOL38373
-COC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OCc1ccccc1 MOL38374
-Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)O)cc1 MOL38375
-COC(=O)C1CC(OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1 MOL38376
-CC(=O)Nc1ccc2cc3[nH]c4cc(NC(C)=O)ccc4c3nc2c1 MOL38377
-COc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2ccccc2CC1 MOL38378
-COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCN1CCOCC1)CC2 MOL38379
-COc1ccc2c(c1)-c1c(c3cc(OC)ccc3n1CCN(C)C)CC2 MOL38380
-COc1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccc(OC)cc12 MOL38381
-COc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2cccc(OC)c2CC1 MOL38382
-CCOC(=O)C=C1c2ccccc2C(=O)N1CC(=O)OCC MOL38383
-CCOC(=O)C=C1CC(NC(=O)OCc2ccccc2)C(=O)N1CC(=O)OCC MOL38384
-CC(C)(C)C1CCC2(OCCO2)C(O)(CCCO)C1 MOL38385
-CCOC(=O)NN=CC1=NN(C(=O)OCC)S(=O)C1C MOL38386
-CCOC(=O)N1N=C(C(C)=NOC)C(C)S1=O MOL38387
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1 MOL38388
-O=C(Nc1ccccc1C(=O)O)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL38389
-CC1NC(C(=Cc2ccccc2O)NC(=O)c2ccccc2)OC1=O MOL38390
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)NN2C(=O)CSC2c2ccc(N(C)C)cc2)cc1 MOL38391
-CN(C)c1ccc(C=NNC(=O)c2ccccc2NC(=O)C(=Cc2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 MOL38392
-O=C(Nc1ccccc1C(=O)O)C(=Cc1ccccc1O)NC(=O)c1ccccc1 MOL38393
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2=NC(CC(=O)O)C(=O)O2)cc1 MOL38394
-O=C(NC(=Cc1ccccc1O)C1NC(Cc2c[nH]c3ccccc23)C(=O)O1)c1ccccc1 MOL38395
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)O)cc1 MOL38396
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2=NC(CCC(=O)O)C(=O)O2)cc1 MOL38397
-O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=Cc1ccccc1)NC(=O)c1ccccc1 MOL38398
-O=C(O)CC(NC(=O)C(=Cc1ccccc1O)NC(=O)c1ccccc1)C(=O)O MOL38399
-CC(NC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O MOL38400
-CCSC1=NC(=Cc2ccccc2O)C(=O)N1 MOL38401
-CCSC1=NC(=Cc2ccccc2O)C(Cl)=N1 MOL38402
-N=c1c2c(-c3ccccc3)c[nH]c2ncn1N MOL38403
-NC(=S)Nc1nc(S)nc2c1c(-c1ccccc1)cn2C(=O)c1ccccc1 MOL38404
-CCSC1=NC(=Cc2ccco2)C(Cl)=N1 MOL38405
-NNC1=NC(=Cc2ccco2)C(=O)N1 MOL38406
-NC(=S)Nc1nc(S)nc2[nH]ccc12 MOL38407
-Cc1[nH]c2ncn(N)c(=N)c2c1Cc1ccccc1 MOL38408
-Cc1[nH]c2ncnc(N)c2c1Cc1ccccc1 MOL38409
-Cc1[nH]c2nc(S)nc(NC(N)=S)c2c1Cc1ccccc1 MOL38410
-c1ccc(C2=C(c3ccccc3)P(c3ccccc3)C2)cc1 MOL38411
-COC(=O)C1=C(OC)C(=P2(c3ccccc3)CC(c3ccccc3)=C2c2ccccc2)C(C(=O)OC)=C1C(=O)OC MOL38412
-COC(=O)c1cc(C(=CCCO)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL38413
-CC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL38414
-CC1C(N2CCCC2)O[Si](C(C)(C)C)(C(C)(C)C)C1C MOL38415
-CC(=O)OC1O[Si](C(C)(C)C)(C(C)(C)C)C(C)C1C MOL38416
-C=CCC1O[Si](C(C)(C)C)(C(C)(C)C)C(C)C1C MOL38417
-CC1C(c2ccccc2)O[Si](C(C)(C)C)(C(C)(C)C)C1C MOL38418
-CC(=O)Oc1cc2c(c3ncccc13)OC(C)(C)C2 MOL38419
-COC(=O)C1Cc2c(OC)ccc(OC)c2CC(C(=O)OC)C1=O MOL38420
-COc1ccc(OC)c2cc(Cc3ccc(N(C)C)cc3)c(=O)c(Cc3ccc(N(C)C)cc3)cc12 MOL38421
-COC(=O)C(C)Sc1nc2cc(Cl)ccc2s1 MOL38422
-NCCSc1nc2ccccc2c(=O)n1-c1ccccc1 MOL38423
-O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccccc1O MOL38424
-Cc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1 MOL38425
-COc1ccc(C=Nn2c(=O)[nH]c3ccccc3c2=O)cc1 MOL38426
-O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(O)cc1 MOL38427
-O=c1c2ccccc2nc2[nH][nH]c(=S)n12 MOL38428
-Cc1cc(C)n(-c2nc(O)c3ccccc3n2)n1 MOL38429
-CC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O MOL38430
-CC(=O)C(=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1)C(C)=O MOL38431
-CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)=O MOL38432
-CCOC(=O)C(=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1)C(C)=O MOL38433
-CCOC(=O)C(C#N)=NNc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 MOL38434
-CCOC(=O)C(C#N)=NNc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1 MOL38435
-CC(=O)OCC1OC(Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL38436
-CC(=O)OC1COC(Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C1OC(C)=O MOL38437
-CC(=O)OCC1OC(NC(=S)Nn2c(-c3ccccc3)nc3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL38438
-CC(=O)OCC1OC(NC(=S)Nn2c(=O)[nH]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL38439
-OCC(O)C(O)C(O)C=NNc1nc(O)c2ccccc2n1 MOL38440
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)OC(C)=O MOL38441
-CC(=O)OCC1OC(NC(=S)CCSc2nc3ccccc3c(=O)n2-c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL38442
-OCC(O)C(O)C(O)C(C=NNc1nc(O)c2ccccc2n1)=NNc1nc(O)c2ccccc2n1 MOL38443
-OCC(O)C(O)C(O)C(O)C=NNc1nc(O)c2ccccc2n1 MOL38444
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)=NNc1nc(O)c2ccccc2n1 MOL38445
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)=NNc1nc(O)c2ccccc2n1 MOL38446
-OCC(O)C(O)C(O)C=NNc1nc(O)c2ccccc2n1 MOL38447
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)OC(C)=O MOL38448
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=NNc1nc(O)c2ccccc2n1)OC(C)=O MOL38449
-O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc([N+](=O)[O-])cc1 MOL38450
-O=c1[nH]c2ccccc2c(=O)n1N=Cc1ccc(Cl)cc1 MOL38451
-O=c1nc2[nH]ncn2c2ccccc12 MOL38452
-O=c1c2ccccc2nc2[nH]ncn12 MOL38453
-N#CC1(C#N)C(c2ccccc2)C=CC(c2ccc([N+](=O)[O-])cc2)C1(C#N)C#N MOL38454
-CC(C)Nc1n[nH]c(=O)n1C(C)C MOL38455
-Cc1c(C)c(C)c(-n2[nH]c(=O)n(C)c2=O)c(C)c1C MOL38456
-COc1ccc(-n2c(=O)n(C)c(=O)n2-c2ccc(OC)cc2)cc1 MOL38457
-COc1ccc(-n2[nH]c(=O)n(C)c2=O)cc1 MOL38458
-CC(=O)Nc1ccc(-n2[nH]c(=O)n(C)c2=O)cc1 MOL38459
-Cc1cc(C)c(C)c(-n2[nH]c(=O)n(C)c2=O)c1C MOL38460
-COc1ccc(-n2c(=O)n(-c3ccccc3)c(=O)n2-c2ccc(OC)cc2)cc1 MOL38461
-COc1ccc(-c2c(-c3ccc(OC)cc3)n3c(=O)n(C)c(=O)n23)cc1 MOL38462
-CCCNC(=O)N(C)C(=O)N1N=C(c2ccccc2)C1c1ccccc1 MOL38463
-CN(C)C(=O)N1NC(c2ccccc2)C1c1ccccc1 MOL38464
-CC1(C23CC4CC(CC(C4)C2)C3)n2c(=O)n(-c3ccccc3)c(=O)n2C1(C)C12CC3CC(CC(C3)C1)C2 MOL38465
-Cn1c(=O)n2n(c1=O)C(C)(C13CC4CC(CC(C4)C1)C3)C13CC4CC(CC1C4)CC23 MOL38466
-O=c1[nH][nH]c(=O)n1N=Cc1ccccc1 MOL38467
-COc1ccc(C=NN2CC(=O)N3C4C=CC(CC4)N3C2=O)cc1 MOL38468
-O=c1n(N=Cc2ccccc2)c(=O)n2n1C1C=CC2CC1 MOL38469
-O=c1n(N=S(=O)(c2ccccc2)c2ccccc2)c(=O)n2n1C1C=CC2CC1 MOL38470
-O=c1[nH]c(=O)n2n1C1C=CC2CC1 MOL38471
-O=c1n(-c2ccccc2)c(=O)n2n1C1CCC2CC1 MOL38472
-Nn1c(=O)n2n(c1=O)C1CCC2C1 MOL38473
-O=c1n(-c2ccccc2)c(=O)n2n1C1Cc3ccccc3C12 MOL38474
-O=C1N(C2CCCCC2)C(=O)N1C1CCCCC1 MOL38475
-c1ccc(C2ON2CCCN2OC2c2ccccc2)cc1 MOL38476
-CC(C)(CCC(C)(C)N1OC1c1ccccc1)N1OC1c1ccccc1 MOL38477
-ON=C1CCCCC(=NO)CCCC1 MOL38478
-O=C(Nc1ccccc1)n1[nH]c(=O)n(-c2ccccc2)c1=O MOL38479
-CC(C)(C)C1=CC(C)(n2[nH]c(=O)n(-c3ccccc3)c2=O)C=C(C(C)(C)C)C1=O MOL38480
-O=c1n(Cc2ccccc2)c(=O)n2c(=O)n(Cc3ccccc3)c(=O)n12 MOL38481
-N#Cc1nc(CN2C(=O)c3ccccc3C2=O)oc1N MOL38482
-N#Cc1nc(CSCc2ccccc2)oc1N MOL38483
-COC(c1ccccc1)(c1nc(C#N)c(N)o1)C(F)(F)F MOL38484
-N#CCc1nc(C#N)c(N)o1 MOL38485
-CN(C)CCON=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1 MOL38486
-CC(=O)OC1CCC2C3CCC4=CC(=NOCCN(C)C)CCC4(C)C3CCC12C.O=C(O)C(=O)O MOL38487
-CC12CCC(=NOCCN3CCCCC3)C=C1CCC1C2CCC2(C)C(O)CCC12.O=C(O)C(=O)O MOL38488
-COc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4s3)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL38489
-CC(c1ccccc1)n1c(N)c(-c2nc3ccccc3s2)c2ccc([N+](=O)[O-])cc2c1=O MOL38490
-COc1cccc(CCn2c(N)c(-c3ccccc3)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL38491
-COc1cccc(CCn2c(N)c(-c3cc(Cl)cc(Cl)c3)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL38492
-CC(c1ccccc1)n1c(N)c(-c2ccccn2)c2ccc([N+](=O)[O-])cc2c1=O MOL38493
-COc1cc(OC)cc(-n2c(N)c(-c3nc4ccccc4n3C)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL38494
-COc1cccc(CCn2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL38495
-COc1cc(OC)cc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL38496
-CC(c1ccccc1)n1c(N)c(C#N)c2ccc([N+](=O)[O-])cc2c1=O MOL38497
-N#Cc1c(N)n(-c2cccc(C(=O)O)c2)c(=O)c2cc([N+](=O)[O-])ccc12 MOL38498
-N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1sc1ccccc12 MOL38499
-N#Cc1c2ccc([N+](=O)[O-])cc2c(=O)n2c1[nH]c1ccc(C(F)(F)F)cc12 MOL38500
-N#Cc1c(=O)c2ccccc2n2ccccc12 MOL38501
-N#Cc1c(=O)c2ccccc2n2c1[nH]c1ccccc12 MOL38502
-N#Cc1c(=O)c2cccnc2n2c1[nH]c1ccccc12 MOL38503
-Cn1c2ccccc2n2c3ccccc3c(=O)c(C#N)c12 MOL38504
-N#Cc1c(=O)c2cc([N+](=O)[O-])ccc2n2c1[nH]c1ccccc12 MOL38505
-N#CC(C(=O)c1ccccc1F)c1nc2ccccc2[nH]1 MOL38506
-N#Cc1c(Cl)c2ccccc2n2c1nc1ccccc12 MOL38507
-COc1cccc(CCNc2c(C#N)c3nc4ccccc4n3c3ccccc23)c1 MOL38508
-N#Cc1c(NCCc2ccc(F)cc2)c2ccccc2n2c1nc1ccccc12 MOL38509
-N#Cc1c(Cl)c2cccnc2n2c1nc1ccccc12 MOL38510
-N=C(N)NCCCC(NC(=O)OCCCCn1ccc(=N)[nH]c1=O)C(=O)O MOL38511
-N=C(N)NCCCC(NC(=O)OCCCCCn1ccc(=N)[nH]c1=O)C(=O)O MOL38512
-N=C(N)NCCCC(NC(=O)OCCCCCCn1ccc(=N)[nH]c1=O)C(=O)O MOL38513
-Cc1cn(CCOCCOC(=O)NC(CCCNC(=N)N)C(=O)O)c(=O)[nH]c1=O MOL38514
-Cc1cn(CCCCOC(=O)NC(CCCNC(=N)N)C(=O)O)c(=O)[nH]c1=O MOL38515
-Cc1cn(CCCCCOC(=O)NC(CCCNC(=N)N)C(=O)O)c(=O)[nH]c1=O MOL38516
-Cc1cn(CCCCCCOC(=O)NC(CCCNC(=N)N)C(=O)O)c(=O)[nH]c1=O MOL38517
-NC(=O)NCCCC(NC(=O)OCCCCn1ccc(=O)[nH]c1=O)C(=O)O MOL38518
-NC(=O)NCCCC(NC(=O)OCCCCCn1ccc(=O)[nH]c1=O)C(=O)O MOL38519
-NC(=O)NCCCC(NC(=O)OCCCCCCn1ccc(=O)[nH]c1=O)C(=O)O MOL38520
-Cc1cn(CCOCCOC(=O)NC(CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O MOL38521
-Cc1cn(CCCCOC(=O)NC(CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O MOL38522
-Cc1cn(CCCCCOC(=O)NC(CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O MOL38523
-Cc1cn(CCCCCCOC(=O)NC(CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O MOL38524
-COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl MOL38525
-CN(C)CCNC(=O)c1cccc2c(NCCN(C)C)c3ccccc3nc12.Cl MOL38526
-COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N(C)C)c3ccccc43)[nH]c2c(OC)c1OC MOL38527
-CCCC(=O)Nc1cc(C=CC(=O)N2CC(CCl)c3c2cc([N+](=O)[O-])c2ccccc32)n(C)c1 MOL38528
-COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC MOL38529
-COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC MOL38530
-Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccccc4[N+](=O)[O-])c3nc12.[Cl-] MOL38531
-Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4ccc([N+](=O)[O-])s4)c3nc12.[Cl-] MOL38532
-O=C1CCCCC(=O)OC2(CCCCC2=O)CC1 MOL38533
-CCOc1ccccc1N1CSc2nnc(-c3ccccc3)n2C1 MOL38534
-FC(F)(Sc1ccccc1)c1nc2ccccc2o1 MOL38535
-FC(F)(Sc1ccccn1)c1nc2ccccc2o1 MOL38536
-FC(F)(Sc1ncc[nH]1)c1nc2ccccc2o1 MOL38537
-Cn1ccnc1SC(F)(F)c1nc2ccccc2o1 MOL38538
-FC(F)(Sc1ncccn1)c1nc2ccccc2o1 MOL38539
-Cn1cnnc1SC(F)(F)c1nc2ccccc2o1 MOL38540
-Cn1nnnc1SC(F)(F)c1nc2ccccc2o1 MOL38541
-FC(F)(Sc1nc2ccccc2[nH]1)c1nc2ccccc2o1 MOL38542
-CCN1CCC(O)(C=Cc2ccc(C)cc2C)C(C(=O)C=Cc2ccc(C)cc2C)C1.Cl MOL38543
-CCN1CCC(O)(C=Cc2ccc(C(C)C)cc2)C(C(=O)C=Cc2ccc(C(C)C)cc2)C1.Cl MOL38544
-CCN1CCC(O)(c2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccc([N+](=O)[O-])cc2)C1.Cl MOL38545
-CCN(CC)CCC(=O)c1ccc(Sc2ccc(F)cc2)cc1.Cl MOL38546
-CC[N+]1(C)CCC(O)(C=Cc2ccc(Cl)cc2)C(C(=O)C=Cc2ccc(Cl)cc2)C1.[I-] MOL38547
-CC[N+]1(C)CCC(O)(C=Cc2ccc(OC)cc2)C(C(=O)C=Cc2ccc(OC)cc2)C1.[I-] MOL38548
-C[N+](C)([O-])C12CC3CC(CC(C3)C1)C2 MOL38549
-CNC(=O)CNC(=O)CCC(=O)N(C)C MOL38550
-CNC(=O)CCNC(=O)CCC(=O)N(C)C MOL38551
-CNC(=O)CCCNC(=O)CCCC(=O)N(C)C MOL38552
-CNC(=O)CCCNC(=O)CCCCC(=O)N(C)C MOL38553
-CNC(=O)CNC(=O)CCC(=O)OC MOL38554
-CNC(=O)CCNC(=O)CCC(=O)OC MOL38555
-CNC(=O)CCCNC(=O)CCCC(=O)OC MOL38556
-CCOC(=O)CCCNC(=O)CCCCC(=O)N(C)C MOL38557
-CNC(=O)CN(C)C(=O)CCC(=O)N(C)C MOL38558
-CNC(=O)CCCN(C)C(=O)CCCCC(=O)N(C)C MOL38559
-CSC(=NN=C(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)SC MOL38560
-CSC(=S)NN=C(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 MOL38561
-CCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 MOL38562
-CCOC=NC1=C(C#N)C(c2ccc(Cl)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 MOL38563
-CCOC=NC1=C(C#N)C(c2ccc(OC)c(OC)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 MOL38564
-N=c1c2c(ncn1N)Oc1c(c(-c3ccccc3)nn1-c1ccccc1)C2c1ccc(Cl)cc1 MOL38565
-COc1ccc(C2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn(N)c(=N)c32)cc1OC MOL38566
-Cc1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1 MOL38567
-COc1ccc(C2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn4nc(CC#N)nc4c32)cc1OC MOL38568
-COc1ccc(C2c3c(-c4ccccc4)nn(-c4ccccc4)c3Oc3ncn4nc(CC#N)nc4c32)cc1OC MOL38569
-CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1 MOL38570
-CCOC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1 MOL38571
-COC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)C3c1ccc(Cl)cc1 MOL38572
-O=C1C(=Cc2c(-c3ccccc3)nn(-c3ccccc3)c2O)C(c2ccccc2)=NN1c1ccccc1 MOL38573
-O=C(O)C1CSC(c2ccc(C(F)(F)F)cc2)N1 MOL38574
-O=C(O)C1CSC(C(O)CO)N1 MOL38575
-O=C(O)C1CSC(C(O)C(O)C(O)C(O)CO)N1 MOL38576
-O=C(O)C1CSC(C(O)C(O)C(O)C(O)CO)N1 MOL38577
-O=C(O)C1CSC(C(O)C(O)C(O)C(O)CO)N1 MOL38578
-Cc1nc(N)nc(N)c1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 MOL38579
-Cc1nc(N)nc(N)c1N1CCN(c2ccc(C#N)cc2)CC1 MOL38580
-CCOC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1 MOL38581
-Cc1nc(N)nc(N)c1N1CCN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)CC1 MOL38582
-Cc1nc(N)nc(N)c1N1CCNCC1 MOL38583
-Cc1nc(N)nc(N)c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 MOL38584
-Cc1nc(N)nc(N)c1N1CCN(c2ccc(N)cc2)CC1 MOL38585
-Cc1nc(N)nc(N)c1N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1 MOL38586
-CCOC(=O)CCC(NC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1)C(=O)OCC MOL38587
-Cc1nc(N)nc(N)c1N1CCN(Cc2ccccc2)CC1 MOL38588
-CCn1c(SCC(=O)NNC(=S)NC)nc2ccccc2c1=O MOL38589
-CCn1c(SCC(=O)NNC(=S)Nc2ccc(Cl)cc2)nc2ccccc2c1=O MOL38590
-CCn1c(SCC(=O)NNC(=S)Nc2ccc(F)cc2)nc2ccccc2c1=O MOL38591
-CCn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2)nc2ccccc2c1=O MOL38592
-CCn1c(SCC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O MOL38593
-CCN1C(=O)CSC1=NNC(=O)CSc1nc2ccccc2c(=O)n1CC MOL38594
-C=CCN1C(=O)CSC1=NNC(=O)CSc1nc2ccccc2c(=O)n1CC MOL38595
-CCn1c(SCC(=O)NN=C2SCC(=O)N2c2ccc(C)cc2)nc2ccccc2c1=O MOL38596
-CCN1C(=O)C(C)SC1=NNC(=O)CSc1nc2ccccc2c(=O)n1CC MOL38597
-COC(=O)NN(C(=O)OC)c1c(-c2ccccc2)nc(SC)n1N MOL38598
-c1ccc(COCC2C3OCC(C(OCc4ccccc4)C3OCc3ccccc3)N2Cc2ccccc2)cc1 MOL38599
-N=C(N)NS(=O)(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 MOL38600
-Cc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1 MOL38601
-COc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1 MOL38602
-COc1ccc(C=C2CCS(=O)(=O)c3ccccc3C2=O)cc1OC MOL38603
-Cc1ccc2c(c1)C(=C(C#N)C#N)CCCS2(=O)=O MOL38604
-N#CC(C#N)=C1CCCS(=O)(=O)c2ccccc21 MOL38605
-COc1ccc(-c2nc(N)c(C#N)c3c2CCSc2ccc(C)cc2-3)cc1OC MOL38606
-O=C1C(=Cc2ccc(Br)cc2)CCCc2ccccc21 MOL38607
-COc1cc(C=C2CCCc3ccccc3C2=O)cc(OC)c1OC MOL38608
-COc1ccc(C=C2CCS(=O)(=O)c3ccc(C)cc3C2=O)cc1OC MOL38609
-COc1cc(C=C2CCS(=O)(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC MOL38610
-Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1)CCS2(=O)=O MOL38611
-Cc1ccc2c(c1)C(=O)C(=Cc1ccc(Cl)cc1)CCS2(=O)=O MOL38612
-N#Cc1c(N)nc(-c2ccc(Cl)cc2)c2c1-c1ccccc1S(=O)(=O)CC2 MOL38613
-COc1cc(C2C(C#N)=C(N)OC3=C2CCS(=O)(=O)c2ccc(C)cc23)cc(OC)c1OC MOL38614
-Cc1ccc2c(c1)-c1nc(N)c(C#N)c(-c3ccccc3)c1CCS2(=O)=O MOL38615
-COc1cccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccc(C)cc2-3)c1 MOL38616
-Cc1ccc2c(c1)-c1nc(N)c(C#N)c(-c3ccc(Cl)cc3)c1CCS2(=O)=O MOL38617
-Cc1ccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccccc2-3)cc1 MOL38618
-COc1ccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccccc2-3)cc1 MOL38619
-Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccccc3)c1CCS2(=O)=O MOL38620
-COc1cccc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)c1 MOL38621
-Cc1ccc2c(c1)-c1c(C#N)c(N)nc(-c3ccc(Cl)cc3)c1CCS2(=O)=O MOL38622
-COc1ccc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)cc1OC MOL38623
-COc1cc(-c2nc(N)c(C#N)c3c2CCS(=O)(=O)c2ccc(C)cc2-3)cc(OC)c1OC MOL38624
-c1ccc(NNN2NC(c3ccccc3)C2c2ccccc2)cc1 MOL38625
-CC(C)(C)n1c(=O)n2n(c1=O)C1c3cccc4cccc(c34)C2C2c3cccc4cccc(c34)C1n1c(=O)n(C(C)(C)C)c(=O)n12 MOL38626
-Cn1c(=O)n2n(c1=O)Cc1cccc3cccc(c13)C2 MOL38627
-CC(C)(C)NC(=O)N1N=C(c2ccccc2)C1c1ccccc1 MOL38628
-O=C(Nc1ccccc1)N1N=C(c2ccccc2)C1c1ccccc1 MOL38629
-Cc1ccc(C)c2c1n1c(=O)n(C)c(=O)n21 MOL38630
-COc1ccc(-n2c(=O)n(C)c(=O)n2-c2c(C)c(C)c(C)c(C)c2C)cc1 MOL38631
-Cn1c(=O)[nH]n(-c2ccc3ccccc3c2)c1=O MOL38632
-CC(C)(C)n1c(=O)n2c(-c3ccccc3)c(-c3ccccc3)n2c1=O MOL38633
-Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2C(C)(C)C)c(C)c1C MOL38634
-CC(C)(C)n1[nH]c(=O)n(C(C)(C)C)c1=O MOL38635
-Cn1c(=O)n(-c2c3ccccc3c(Cl)c3ccccc23)n(C(C)(C)C)c1=O MOL38636
-CC(C)(C)N1C(=O)[N-][N+](=C(C(c2ccccc2)=[N+]2[N-]C(=O)N(C(C)(C)C)C2=O)c2ccccc2)C1=O MOL38637
-Cc1cc(C)c(-n2[nH]c(=O)n(C)c2=O)c(C)c1 MOL38638
-COC(=O)N1N=C(c2ccccc2)C1c1ccccc1 MOL38639
-CC(C)(C)n1c(=O)[nH]n(C2NN=Cc3cccc4cccc2c34)c1=O MOL38640
-COc1ccccc1-n1c(=O)n(C)c(=O)n1C(C)(C)C MOL38641
-Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(C)c1C MOL38642
-COc1cc(OC)c(-n2[nH]c(=O)n(C)c2=O)c(OC)c1 MOL38643
-Cc1c(C)c(C)c(Cn2[nH]c(=O)n(C)c2=O)c(C)c1C MOL38644
-Cc1c(C)c(C)c(-n2c(=O)n(C)c(=O)n2-n2c(=O)n(C)c(=O)n2-c2c(C)c(C)c(C)c(C)c2C)c(C)c1C MOL38645
-COC1c2cccc3cccc(c23)C1n1[nH]c(=O)n(C(C)(C)C)c1=O MOL38646
-CN=C(n1ccnc1)n1ccnc1 MOL38647
-CC(C)(Cc1ccccc1)N1C(=O)N1C(C)(C)Cc1ccccc1 MOL38648
-CC1(C)N=[N+]([O-])C1(C)C MOL38649
-O=C1N=NC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 MOL38650
-CC1(C)[N+]([O-])=[N+]([O-])C1(C)O MOL38651
-CC1(C)[N+]([O-])=[N+]([O-])C1(C)C MOL38652
-O=C(Nc1c(O)nc(O)nc1NCC(O)C(O)C(O)CO)c1ccc(S(=O)(=O)F)cc1 MOL38653
-COc1c(Cl)cc(C(=CCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O MOL38654
-Cc1ccc(NC(=O)c2ccccc2)c(=O)o1 MOL38655
-Cc1ccc(NC(=O)c2cnccn2)c(=O)o1 MOL38656
-Cc1cc(C)c(NC(=O)c2ccccc2)c(=O)o1 MOL38657
-Cc1cc(C)c(NC(=O)c2cnccn2)c(=O)o1 MOL38658
-Cc1cc(C(C)(C)C)oc(=O)c1NC(=O)c1ccccc1 MOL38659
-O=C(Nc1ccc(-c2ccccc2)oc1=O)c1ccccc1 MOL38660
-Cc1cc(-c2ccccc2)oc(=O)c1NC(=O)c1ccccc1 MOL38661
-CC(=O)N(C(C)=O)c1c(C)cc(-c2ccccc2)oc1=O MOL38662
-Cc1cc(-c2ccccc2)oc(=O)c1NC(=O)c1cnccn1 MOL38663
-O=C(Nc1ccc(-c2ccco2)oc1=O)c1ccccc1 MOL38664
-Cc1cc(-c2ccco2)oc(=O)c1NC(=O)c1ccccc1 MOL38665
-Cc1cc(-c2ccco2)oc(=O)c1NC(=O)c1cnccn1 MOL38666
-O=C(Nc1ccc(-c2cccs2)oc1=O)c1ccccc1 MOL38667
-CC(=O)N(C(C)=O)c1ccc(-c2cccs2)oc1=O MOL38668
-O=C(Nc1ccc(-c2cccs2)oc1=O)c1cnccn1 MOL38669
-Cc1cc(-c2cccs2)oc(=O)c1NC(=O)c1ccccc1 MOL38670
-CC(=O)N(C(C)=O)c1c(C)cc(-c2cccs2)oc1=O MOL38671
-Cc1cc(-c2cccs2)oc(=O)c1NC(=O)c1cnccn1 MOL38672
-O=C(Nc1ccc(-c2ccccn2)oc1=O)c1ccccc1 MOL38673
-Cc1cc(-c2ccccn2)oc(=O)c1NC(=O)c1ccccc1 MOL38674
-COc1ccc(-c2cc(NC(=O)c3ccccc3)c(=O)oc2C)cc1 MOL38675
-COc1ccc(-c2cc(NC(=O)c3cnccn3)c(=O)oc2C)cc1 MOL38676
-COc1ccc(-c2c(C)oc(=O)c(NC(=O)c3ccccc3)c2C)cc1 MOL38677
-O=C(Nc1cc2c(oc1=O)CCC2)c1cnccn1 MOL38678
-O=C(Nc1cc2c(oc1=O)CCCCC2)c1ccccc1 MOL38679
-O=C(Nc1cc2c(oc1=O)CCCCC2)c1cnccn1 MOL38680
-O=C(Nc1cc2c(oc1=O)CCCCCC2)c1ccccc1 MOL38681
-O=C(Nc1cc2c(oc1=O)CCCCCC2)c1cnccn1 MOL38682
-Cc1c2c(oc(=O)c1NC(=O)c1ccccc1)CCCCCC2 MOL38683
-Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O MOL38684
-O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O MOL38685
-Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2cccc(=O)n2O)c(O)c1=O MOL38686
-O=C(NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O MOL38687
-O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O MOL38688
-CNC(=O)c1ccc(C(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O)c(O)c1O MOL38689
-Cn1ccc(C(=O)N2CCSC2=S)c(OCc2ccccc2)c1=O MOL38690
-O=C(c1cccc(OCc2ccccc2)c1OCc1ccccc1)N1CCSC1=S MOL38691
-Cn1ccc(C(=O)NCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O MOL38692
-Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O MOL38693
-O=C(NCCCN(CCCCN(CCCNC(=O)c1cc(S(=O)(=O)O)cc(O)c1O)C(=O)c1cc(S(=O)(=O)O)cc(O)c1O)C(=O)c1cc(S(=O)(=O)O)cc(O)c1O)c1cc(S(=O)(=O)O)cc(O)c1O MOL38694
-COc1nc(N(C)C)nc2c1n(C)c[n+]2C.[Cl-] MOL38695
-CNc1nc(OC)c2c(n1)[n+](C)cn2C.[Cl-] MOL38696
-COc1nc(N)nc2c1n(C)c[n+]2C.[Cl-] MOL38697
-CN(C(=O)c1ccc2c(c1)sc1c(=O)n(C)c3ccccc3c12)c1ccccc1 MOL38698
-CN(C(=O)c1cc2c(s1)sc1c(=O)n(C)c3ccccc3c12)c1ccccc1 MOL38699
-Nc1c2ccccc2nc2c1ccc1ncccc12 MOL38700
-COC(=O)C1=CC(=O)OC1(OO)c1ccccc1 MOL38701
-COC(=O)C1=C(C(=O)OC)C(OO)(c2ccccc2)OC1=O MOL38702
-COC(=O)C1=C(C(=O)OC)C(Cc2ccccc2)(OO)OC1=O MOL38703
-COC(=O)C1=CC(=O)OC1(OO)c1ccc(Br)cc1 MOL38704
-COc1ccc(NC(CS(=O)c2ccc(C)cc2)C(F)(F)F)cc1 MOL38705
-COc1ccc(NC(C(c2ccccc2)S(=O)c2ccc(C)cc2)C(F)(F)F)cc1 MOL38706
-Cc1ccc(S(=O)C=C(NC(=O)OCc2ccccc2)C(F)(F)F)cc1 MOL38707
-COc1ccc(N=C(CS(=O)c2ccc(C)cc2)C(F)(F)F)cc1 MOL38708
-Cc1ccc(C2=C(C#N)C(=O)N3CCN=C3S2)cc1 MOL38709
-CNc1nc(=O)c(C#N)c(-c2ccc(C)cc2)s1 MOL38710
-O=C(Nc1cc2c(=O)oc3ccccc3c2oc1=O)c1cccnc1 MOL38711
-O=C(Nc1cc2c(O)nc3ccccc3c2oc1=O)c1cnccn1 MOL38712
-COc1nc2sc3c(c2c(=O)n1CCCSSCCCn1c(OC)nc2sc4c(c2c1=O)CCCC4)CCCC3 MOL38713
-Cl.NCc1ccc(-c2ccc(CN)s2)s1 MOL38714
-NCc1ccc(-c2ccc(-c3ccc(-c4ccc(CN)s4)s3)s2)s1 MOL38715
-Cc1cc(NS(=O)(=O)c2ccc(N=Nc3c(Nc4ccccc4)nn(-c4ccc(S(=O)(=O)Nc5ccncn5)cc4)c3C)cc2)no1 MOL38716
-CC1=CCS(=O)(=O)C1C(O)C1=C(C)CCCC1(C)C MOL38717
-CC(C)=CC=C1CS(=O)(=O)C=C1C MOL38718
-CC1=NNC(=O)C1C(CC(=O)c1c[nH]c2ccccc12)C(=O)O MOL38719
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NNC1=O MOL38720
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NNC1=S MOL38721
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN(c2ccccc2)C1=O MOL38722
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O MOL38723
-CC1=NNC(=O)C1C(CC(=NO)c1c[nH]c2ccccc12)C(=O)O MOL38724
-CC1=NNC(=O)C1C1C(=O)NN=C(c2c[nH]c3ccccc23)C1Br MOL38725
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN=C1Cl MOL38726
-CC1=NNC(=O)C1C1(C(=O)O)CC(c2c[nH]c3ccccc23)=NC(=S)N1 MOL38727
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=Nn2c(-c3ccccc3)nnc21 MOL38728
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN=C1NN MOL38729
-CC1=NNC(=O)C1C1CC(c2c[nH]c3ccccc23)=NN=C1NCc1ccccc1 MOL38730
-CC1=NNC(=O)C1C1C=C(c2c[nH]c3ccccc23)OC1=O MOL38731
-O=C1NN=C(c2c[nH]c3ccccc23)CC1NCc1ccccc1 MOL38732
-ClC1=NN=C(c2c[nH]c3ccccc23)CC1NCc1ccccc1 MOL38733
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=O)n4CCCN(C)C)c2c1.Cl MOL38734
-COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(ncn4CCN(C)C)c2c1.Cl MOL38735
-COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(ncn4CCCN(C)C)c2c1.Cl MOL38736
-COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)n(CCCN(C)C)c(=S)n4CCCN(C)C.Cl MOL38737
-CN(C)CCn1c(=O)n(CCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl MOL38738
-CN(C)CCCn1c(=O)n(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl MOL38739
-CN(C)CCCn1c(=S)n(CCCN(C)C)c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32.Cl MOL38740
-CN(C)CCn1c(=O)c2ccc(NCCNCCO)c3c(=O)c4ccccc4n(c1=O)c23.Cl MOL38741
-CN(C)CCn1c(=O)c2ccc(NCCN3CCNCC3)c3c(=O)c4ccccc4n(c1=O)c23.Cl MOL38742
-COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3c(=O)n(CCN(C)C)c(=O)n2c31.Cl MOL38743
-COc1ccc2c(c1)c(=O)c1c(NCCNCCO)ccc3c(=O)n(CCN(C)C)c(=O)n2c31.Cl MOL38744
-I.O=C(CN1CCCCC1)c1ccc2c(c1)Sc1ccccc1O2 MOL38745
-Br.CC1CCCCN1CC(=O)c1ccc2c(c1)Sc1ccccc1O2 MOL38746
-CON=Cc1ccc2c(c1)Sc1ccccc1O2 MOL38747
-S=C(Cc1ccc2c(c1)Sc1ccccc1O2)N1CCOCC1 MOL38748
-C[S+](C)CC(=O)c1ccc2c(c1)Sc1ccccc1O2.[Cl-] MOL38749
-O=C1NC2c3c(I)sc(I)c3C(=O)C2O1 MOL38750
-O=C1NC2c3c(I)sc(I)c3C(=NO)C2O1 MOL38751
-O=C1NC2c3c(I)sc(I)c3C(O)C2O1 MOL38752
-Cl.NC1CNC(=O)c2c(Cl)sc(Cl)c21 MOL38753
-CSC(Cc1ccc2c(c1)Sc1ccccc1O2)=[N+]1CCOCC1.[I-] MOL38754
-Cl.N=C(N)SCc1ccc2c(c1)Sc1ccccc1O2 MOL38755
-Cl.N=C(N)SCc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 MOL38756
-Fc1ccccc1C=[N+]1N=C(c2ccncc2)[OH+][Cu-3]12[OH+]C(c1ccncc1)=N[N+]2=Cc1ccccc1F MOL38757
-Fc1ccccc1C=[N+]1N=C(c2ccncc2)[OH+][Ni-2]12[OH+]C(c1ccncc1)=N[N+]2=Cc1ccccc1F MOL38758
-Fc1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(F)c2)c1 MOL38759
-Fc1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(F)c2)c1 MOL38760
-FC(F)(F)c1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(C(F)(F)F)c2)c1 MOL38761
-FC(F)(F)c1cccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2cccc(C(F)(F)F)c2)c1 MOL38762
-FC(F)(F)c1ccc(C=[N+]2N=C(c3ccncc3)[OH+][Ni-2]23[OH+]C(c2ccncc2)=N[N+]3=Cc2ccc(C(F)(F)F)cc2)cc1 MOL38763
-COc1ccc(C=[N+]2N=C(c3ccncc3)[OH+][Cu-3]23[OH+]C(c2ccncc2)=N[N+]3=Cc2ccc(OC)c(F)c2)cc1F MOL38764
-CC(=[N+]1N=C(c2ccncc2)[OH+][Cu-3]12[OH+]C(c1ccncc1)=N[N+]2=C(C)C(F)(F)F)C(F)(F)F MOL38765
-CC(=[N+]1N=C(c2ccncc2)[OH+][Ni-2]12[OH+]C(c1ccncc1)=N[N+]2=C(C)C(F)(F)F)C(F)(F)F MOL38766
-CCCCCCCCCCCCCCCCCCOP1(=O)OCCO1 MOL38767
-N#Cc1c(O)nc2ccccc2c1O MOL38768
-ClC(=C(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1ccccc1 MOL38769
-C=C1C(OC(C)=O)CC(=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(C)=O MOL38770
-CCSC1=NC(=Cc2ccco2)C(NN)=N1 MOL38771
-CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1 MOL38772
-NNC1=NC(=Cc2ccccc2O)C(=O)N1 MOL38773
-CCSC1=NC(=Cc2ccccc2O)C(Nc2ccc(C)cc2)=N1 MOL38774
-CCSC1=NC(=Cc2ccco2)C(=O)N1 MOL38775
-CCSC1=NC(=Cc2ccco2)C(Nc2ccc(C)cc2)=N1 MOL38776
-CCOC(=O)Nc1[nH]cc(-c2ccccc2)c1C#N MOL38777
-CCSc1nc(=Cc2ccco2)c2nncn12 MOL38778
-N#Cc1c(-c2ccccc2)cn(C(=O)c2ccccc2)c1N MOL38779
-O=C(c1ccccc1)n1cc(-c2ccccc2)c2c(O)ncnc21 MOL38780
-CN(C)c1ccc(C=NNC2=NC(=Cc3ccco3)C(=O)N2)cc1 MOL38781
-Cc1[nH]c(N)c(C#N)c1Cc1ccccc1 MOL38782
-CCOC=Nc1[nH]c(C)c(Cc2ccccc2)c1C#N MOL38783
-CCSc1nc(=Cc2ccco2)c2nnnn12 MOL38784
-OCC1CC(F)C(n2cnc3c(NC4CC4)ncnc32)O1 MOL38785
-O=C(NNCC(O)COc1ccccc1)c1ccccc1 MOL38786
-Nc1ccccc1C(=O)NNC(=O)c1ccccc1N MOL38787
-O=C(NNCc1ccccc1O)c1ccccc1O MOL38788
-O=C(NNC(=O)c1ccccc1O)c1ccccc1O MOL38789
-O=C(NNC(=O)c1ccccn1)c1ccccn1 MOL38790
-Nc1ccccc1C(=O)NNC(=O)c1ccccc1O MOL38791
-O=C(NN=Cc1ccccc1O)c1ccccc1O MOL38792
-CC(=O)NNC(=O)c1ccccc1O MOL38793
-CCCc1cc(=O)oc2c3c(cc(OC(C)CI)c12)OC(C)C(C)C3=O MOL38794
-CC(=O)c1c(=O)n(-c2ccc(C)cc2)c(O)c2c(=N)[nH][nH]c12 MOL38795
-N#Cc1c(O)n(-c2ccccc2)c(=O)c2c(=N)[nH][nH]c12 MOL38796
-N=c1[nH][nH]c2c(C(=O)Nc3ccc(Cl)cc3)c(N)nc(S)c12 MOL38797
-CSc1c(C#N)c(O)nc(N)c1C(=O)Nc1ccc(Cl)cc1 MOL38798
-N=c1[nH][nH]c2c(C(=O)Nc3ccccc3)c(N)nc(S)c12 MOL38799
-CSc1c(C(N)=S)c(=N)[nH]n1-c1ccccc1 MOL38800
-CSc1n[nH]c2[nH]nc(C)c12 MOL38801
-CSc1n[nH]c2c1c(C)nn2-c1ccccc1 MOL38802
-CSc1c(C#N)c(O)n(-c2ccc(C)cc2)c(=O)c1C#N MOL38803
-CSc1c(C#N)c(O)n(-c2ccc(Cl)cc2)c(=O)c1C#N MOL38804
-CSc1c(C#N)c(N)n(-c2ccc(Cl)cc2)c(=O)c1C#N MOL38805
-CSC(SC)=C(C#N)C(=O)Nc1ccc(Cl)cc1 MOL38806
-CSc1c(C(=O)Nc2ccc(Cl)cc2)c(N)n(N)c(=O)c1C#N MOL38807
-CSc1c(C(=O)Nc2ccccc2)c(=N)[nH]n1-c1ccccc1 MOL38808
-CSc1c(C#N)c(O)nc2[nH]nc(C)c12 MOL38809
-CSc1c(C#N)c(O)n(-c2ccc(Cl)cc2)c(=O)c1C(C)=O MOL38810
-CSc1c2c(C)nnc-2[nH]n1-c1ccccc1 MOL38811
-CSC1=NN(c2ccccc2)C(=O)C1=C(SC)SC MOL38812
-CSC(Nc1ccccc1)=C1C(=O)N(c2ccccc2)N=C1C MOL38813
-CSc1nc(S)nc2[nH]nc(C)c12 MOL38814
-CSc1c(C#N)c(=O)n(N)c2c1c(C)nn2-c1ccccc1 MOL38815
-CSc1c(C#N)c(O)nc(N)c1C(=O)Nc1ccc(C)cc1 MOL38816
-CSc1c(C#N)c(=O)n(N)c2[nH]nc(C)c12 MOL38817
-CSC1=C(C(=O)Nc2ccccc2)C(=N)NC1=O MOL38818
-CSC1=C(C(=O)Nc2ccc(Cl)cc2)C(=N)NC1=O MOL38819
-N=c1[nH][nH]c2c(C(=O)Nc3ccc(Cl)cc3)c(N)n(N)c(=O)c12 MOL38820
-Cc1ccc(-n2c(O)c(C#N)c3[nH][nH]c(=N)c3c2=O)cc1 MOL38821
-CSc1c(C(=O)Nc2ccc(C)cc2)c(N)n(N)c(=O)c1C#N MOL38822
-CSc1c(C#N)c(O)n(-c2ccc(C)cc2)c(=O)c1C(C)=O MOL38823
-CSc1c(C(=O)Nc2ccc(Cl)cc2)c(=N)[nH]n1-c1ccccc1 MOL38824
-CSc1c(C(=O)Nc2ccccc2)c(N)n(N)c(=O)c1C#N MOL38825
-CSc1[nH][nH]c(=N)c1C(=O)Nc1ccc(Cl)cc1 MOL38826
-CSc1[nH][nH]c(=N)c1C(=O)Nc1ccccc1 MOL38827
-CSc1c(C#N)c(O)nc(S)c1C#N MOL38828
-CSc1c(C#N)c(N)n(-c2ccc(C)cc2)c(=O)c1C#N MOL38829
-CSc1c(C#N)c(S)n(-c2ccc(Cl)cc2)c(=O)c1C#N MOL38830
-CSC1=C(C#N)C(=S)NC(=N)C1C(=O)Nc1ccc(C)cc1 MOL38831
-CSC1=C(C(=O)Nc2ccc(C)cc2)C(=N)NC1=O MOL38832
-CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2c(=N)[nH][nH]c12 MOL38833
-COc1ccc(NC(=O)C2=C(SC)C(=O)NC2=N)cc1 MOL38834
-Cc1ccc(-n2c(N)c(C#N)c3[nH][nH]c(=N)c3c2=O)cc1 MOL38835
-CC1(C)C=Cc2c(cc3oc4ccc5c(c4c(=O)c3c2O)C=CC(C)(C)O5)O1 MOL38836
-CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1 MOL38837
-C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 MOL38838
-COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC(C)=O)CC43O)C2)OC(C)C1O MOL38839
-O=C(Nc1cnc(O)nc1O)c1ccc(S(=O)(=O)F)cc1 MOL38840
-CSC12C3C(=O)N(C)C(=O)C3C(C)(C(=O)N1C)C(=O)N2c1ccccc1 MOL38841
-CSc1nc(-c2ccccc2)nc(C(C#N)C#N)n1 MOL38842
-CSc1nc(O)nc(-c2ccccc2)n1 MOL38843
-C#CCNCC(=O)O MOL38844
-C#CCNC(CSSCC(N)C(=O)O)C(=O)O MOL38845
-CN(C)CC(NC(NCS)C(=O)NCCNc1ccc(NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O)OCCl MOL38846
-C=C(C)C1CC2=C(O1)C(=O)c1cccc(O)c1C2=O MOL38847
-Cn1c(=O)c2c(nc3[nH]c(=O)c(Br)cn32)n(C)c1=O MOL38848
-Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(Br)cn23)n(C)c1=O MOL38849
-Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(NCCBr)cn23)n(C)c1=O MOL38850
-Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(NCCCBr)cn23)n(C)c1=O MOL38851
-Cn1c(=O)c2c(nc3n(CCCCl)c(=O)ccn23)n(C)c1=O MOL38852
-Cn1c(=O)c2c(nc3n(CC(O)CCl)c(=O)ccn23)n(C)c1=O MOL38853
-Cn1c(=O)c2c(nc3n2CCC(=O)N3CCCCl)n(C)c1=O MOL38854
-Cn1c(=O)c2c(nc3n2CC(=O)N3CCCCl)n(C)c1=O MOL38855
-Cn1c(=O)c2c(nc3n2CCCC(=O)N3CCCCl)n(C)c1=O MOL38856
-Cn1c(=O)c2c(nc3n2CCCC(=O)N3CC(O)CCl)n(C)c1=O MOL38857
-Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)NCCCCl)n(C)c1=O MOL38858
-Cn1c(=O)c2c(nc(NCCCCl)n2CC(=O)O)n(C)c1=O MOL38859
-Cc1cccc2c1C(=O)C(C)(C1(C)Nc3cccc(C)c3C1=O)N2 MOL38860
-Cc1cccc2c1C(=O)C(C)(C1(C)Nc3cccc(C)c3C1=O)N2 MOL38861
-COc1ccc(C)c2c1NC(C)(C1(C)Nc3c(OC)ccc(C)c3C1=O)C2=O MOL38862
-COC(=O)C(Cc1c(-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(C)=O MOL38863
-COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)N2CCCC2C(=O)N1 MOL38864
-COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)NCC(=O)N1 MOL38865
-COC(=O)C1Cc2c([nH]c3ccccc23)-c2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)NCC(=O)NCC(=O)N1 MOL38866
-O=C(C(=O)n1ccc2ccccc21)n1ccc2ccccc21 MOL38867
-COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3C(CC(=O)OC)C21 MOL38868
-COC(=O)Cc1c(C2=Nc3ccccc3C2(O)CC(=O)OC)[nH]c2ccccc12 MOL38869
-COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C(=O)C(F)(F)F)[nH]c2ccccc12 MOL38870
-COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2S(=O)(=O)c2ccc(C)cc2)[nH]c2ccccc12 MOL38871
-CN1C(=O)C(c2c[nH]c3ccccc23)C(c2c[nH]c3ccccc23)C1=O MOL38872
-COc1ccc(C2OCC3OC(OCc4ccccc4)C(O)C(O)C3O2)cc1 MOL38873
-COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C2OC(CO)C(O)C(O)C2O)[nH]c2ccccc12 MOL38874
-COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(O)C(O)C2O)[nH]c2ccccc12 MOL38875
-CN1C(=O)C2c3c([nH]c4ccccc34)C3Nc4ccccc4C3C2C1=O MOL38876
-CN1C(=O)c2c(c3c4ccccc4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4ccccc4c23)C1=O MOL38877
-COC(=O)Cc1c(-c2c(CC(=O)OC)c3ccccc3n2C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)[nH]c2ccccc12 MOL38878
-CN1C(=O)C2c3c([nH]c4ccccc34)C3C(c4ccccc4N3S(=O)(=O)C(F)(F)F)C2C1=O MOL38879
-COC(=O)Cc1c(C2Nc3ccccc3C2CC(=O)OC)[nH]c2ccccc12.Cl MOL38880
-COC(=O)Cc1c(C2C(CC(=O)OC)c3ccccc3N2C(C)=O)[nH]c2ccccc12 MOL38881
-CC(=O)NCCc1c(-c2[nH]c3ccccc3c2CCNC(C)=O)[nH]c2ccccc12 MOL38882
-c1ccc2c(c1)NC1c3[nH]c4ccccc4c3CCC21 MOL38883
-CC(=O)N1c2ccccc2C2CCc3c([nH]c4ccccc34)C21 MOL38884
-CC(=O)OC1COC(n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)C(OC(C)=O)C1OC(C)=O MOL38885
-Cc1ccc(S(=O)(=O)N2c3ccccc3C3CCc4c([nH]c5ccccc45)C32)cc1 MOL38886
-OC1COC(n2c3ccc(Br)cc3c3ccc4c5ccccc5[nH]c4c32)C(O)C1O MOL38887
-Brc1ccc2c(c1)C1CCc3c([nH]c4ccccc34)C1N2 MOL38888
-CC(=O)OC1COC(N2c3ccccc3C3CCc4c([nH]c5ccccc45)C32)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1COC(N2c3ccccc3C3CCc4c([nH]c5ccccc45)C32)C(OC(C)=O)C1OC(C)=O MOL38889
-COC(=O)CCCc1c(-c2[nH]c3ccccc3c2CCCC(=O)OC)[nH]c2ccccc12 MOL38890
-COC(=O)C(Cc1c(C2Nc3ccccc3C2CC(NC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(C)=O MOL38891
-COC(=O)C(Cc1c(C2Nc3ccccc3C2CC(NC(=O)CNC(C)=O)C(=O)OC)[nH]c2ccccc12)NC(=O)CNC(C)=O MOL38892
-COC(=O)C(Cc1cn(C(C)n2cc(CC(NC(C)=O)C(=O)OC)c3ccccc32)c2ccccc12)NC(C)=O MOL38893
-CCOC(=O)C(Cc1c(-c2[nH]c3ccccc3c2CC(NC(=O)CNC(C)=O)C(=O)OCC)[nH]c2ccccc12)NC(=O)CNC(C)=O MOL38894
-N#Cc1sc2nc3ccccc3n2c1N MOL38895
-Nc1ncnc2c1sc1nc3ccccc3n12 MOL38896
-Oc1ncnc2c1sc1nc3ccccc3n12 MOL38897
-Cc1nc(O)c2sc3nc4ccccc4n3c2n1 MOL38898
-N=c1c2sc3nc4ccccc4n3c2ncn1Cc1ccccc1 MOL38899
-Cn1cnc2c(sc3nc4ccccc4n32)c1=N MOL38900
-NC(=O)c1sc2nc3ccccc3n2c1N MOL38901
-N#CC1=C2Sc3ccccc3N2C(c2ccccc2)C2COC(=O)C12 MOL38902
-COc1ccc(C2C3COC(=O)C3C(C#N)=C3Sc4ccccc4N32)cc1 MOL38903
-CC(C)(C)C#C[IH2]1OC(=O)c2ccccc21 MOL38904
-O=C1O[IH2](C#Cc2ccccc2)c2ccccc21 MOL38905
-CC(=O)O[IH2]1NC(=O)c2ccccc21 MOL38906
-CO[IH2]1NC(=O)c2ccccc21 MOL38907
-CN1C(=O)c2ccccc2OC12C=Cc1c(ccc3ccccc13)O2 MOL38908
-COc1cccc2c1OC1(C=C2)Oc2ccccc2C(=O)N1C MOL38909
-CN1C(=O)c2ccccc2OC12C=Cc1ccc(O)cc1O2 MOL38910
-Cc1cc2c(c(C=Nc3ccc([N+](=O)[O-])cc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C MOL38911
-Cc1cc2c(c(C=Nc3ccccc3O)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C MOL38912
-Cc1cc2c(c(C=Nc3ccc(N(C)C)cc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C MOL38913
-Cc1cc2c(c(C=NCc3ccccc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C MOL38914
-CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2 MOL38915
-CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cccc([N+](=O)[O-])c1O2 MOL38916
-CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2 MOL38917
-CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1ccccc1O2 MOL38918
-Cc1ccc2c(c1)C=CC1(O2)N(c2ccccc2)C(=S)OC1(C)C MOL38919
-CC1(C)OC(=S)N(c2ccccc2)C12C=Cc1cc3ccccc3cc1O2 MOL38920
-O=[N+]([O-])c1cccnc1-n1cnc2ccccc21 MOL38921
-O=C(c1ccccc1)c1c2ccccn2c2cccc[n+]12.[Br-] MOL38922
-C[n+]1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc21.[I-] MOL38923
-Cn1c(-c2cccc([N+](=O)[O-])c2)[n+](C)c2ccccc21.[I-] MOL38924
-Cn1c(-c2cccc(N)c2)[n+](C)c2ccccc21.[I-] MOL38925
-Br.NC1=CN2c3ccccc3N(CC(=O)O)C2C=C1 MOL38926
-CCN(CC)C(=O)Cn1c2ccccc2[n+]2cc(N)ccc12.[Br-] MOL38927
-CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccccn1 MOL38928
-CCOP(=O)(Nc1ccccc1CC)OCC MOL38929
-c1ccc(C2(c3cc4ccccc4[nH]3)OCCO2)nc1 MOL38930
-O=S(=O)(c1ccccc1)n1c(C(O)c2ccccc2)cc2ccccc21 MOL38931
-O=S(=O)(NC(c1ccccc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1 MOL38932
-O=C(CC(c1ccccc1)C(C(=O)c1ccncc1)C(CC(=O)c1ccncc1)c1ccccc1)c1ccncc1 MOL38933
-O=C(O)CN1C=C(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)CCC1 MOL38934
-CCOC(=O)C[n+]1cccc(C2(c3cc4ccccc4[nH]3)OCCO2)c1.[Br-] MOL38935
-CCOC(=O)C1(Cc2c[nH]c3ccccc23)C(O)CCCN1C(C)=O MOL38936
-c1cncc(C2(c3cc4ccccc4[nH]3)COCO2)c1 MOL38937
-c1ccc(CC2(c3cc4ccccc4[nH]3)OCCO2)nc1 MOL38938
-O=[N+]([O-])c1ccc(-n2nnc3ccccc32)nc1 MOL38939
-COc1ccc(C2C=C(c3ccc(C)cc3)N(c3ccc(OC)cc3[N+](=O)[O-])C3C(=O)OC(=O)C23)c(OC)c1 MOL38940
-COC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=CC1c1ccc(OC)cc1OC MOL38941
-O=C1OC(=O)C2=C1C(c1cccs1)C=C(c1cccnc1)N2c1ccncc1 MOL38942
-COC(=O)C1=C(C(=O)Nc2cccnc2Cl)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=CC1c1ccc(OC)cc1OC MOL38943
-O=C1OC(=O)C2C1C(c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 MOL38944
-O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-] MOL38945
-COC(=O)C1=C(C(=O)OC)N(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-] MOL38946
-O=C(O)C(CO)NC(=O)C1C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1 MOL38947
-CC(=O)OC(=C(C#N)C(=O)O)C1C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1 MOL38948
-O=C(O)C1=CN(c2ccncc2)C(c2ccco2)=CC1c1ccccc1[N+](=O)[O-] MOL38949
-COC(=O)C1=C(C(=O)NNc2ccccc2)N(c2cccnc2Cl)C(c2ccccc2)=CC1c1ccccc1 MOL38950
-CC(=C(C(=O)O)C(=O)O)c1cc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1O MOL38951
-CCOC(=O)C(=O)CC(=O)C1=C(c2ccccc2OC)CC(c2cccs2)=CC1=O MOL38952
-COc1ccc(C2=CC(C(C)=C(C(N)=O)C(N)=O)C=C(c3ccc(Br)cc3)C2)c(OC)c1 MOL38953
-CCOC(=O)C1=C(C)C2C=C(c3cccs3)CC(c3ccc(Cl)cc3)=C2OC1=O MOL38954
-CC(=C(C(N)=O)C(N)=O)C1C=C(c2cccs2)CC(c2ccc(Cl)cc2)=C1O MOL38955
-CCN(CC)CCN1C=CC(C)C(C(=O)O)C1C(N)=O MOL38956
-COC(=O)NN=C(c1ccccc1)c1ccc(OC)cc1 MOL38957
-CCOC(=O)NNC(=O)NCc1ccccc1CNC(=O)NNC(=O)OCC MOL38958
-CCOC(=O)NN(C(=O)OCC)c1c(C)cc(C)cc1C MOL38959
-COC(=O)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL38960
-COC(=O)NNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL38961
-COC(=O)N=[N+]([O-])C(c1ccccc1)c1ccccc1 MOL38962
-COC(=O)N=[N+]([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 MOL38963
-COC(=O)N=[N+]([O-])C(c1ccc(OC)cc1)C1CCCCC1 MOL38964
-CC(C#N)(NO)C(C)(C#N)NO MOL38965
-CC(C(=O)O)C(C)(O)C(=O)O MOL38966
-O=[N+]([O-])C1(C2([N+](=O)[O-])CCCC2)CCCC1 MOL38967
-O=c1[nH][nH]c(=O)n1Cc1cccc(Cn2c(=O)[nH][nH]c2=O)c1 MOL38968
-O=c1[nH][nH]c(=O)n1CCCCCCn1c(=O)[nH][nH]c1=O MOL38969
-CCOC(=O)NNC(=O)NCCCCNC(=O)NNC(=O)OCC MOL38970
-O=c1[nH][nH]c(=O)n1Cc1ccccc1Cn1c(=O)[nH][nH]c1=O MOL38971
-CCOC(=O)NNC(=O)NCCNC(=O)NNC(=O)OCC MOL38972
-CCOC(=O)NNC(=O)NCc1cccc(CNC(=O)NNC(=O)OCC)c1 MOL38973
-O=c1[nH][nH]c(=O)n1Cc1ccccc1 MOL38974
-[O-][N+](=Nc1ccccc1CO)c1ccccc1CO MOL38975
-Cn1c(=O)n2n(c1=O)C1C(=CC2)C2C=CC1n1c(=O)n(C)c(=O)n12 MOL38976
-CON=C1C(n2[nH]c(=O)n(-c3ccccc3)c2=O)C2C=CC1n1c(=O)n(-c3ccccc3)c(=O)n12 MOL38977
-COC(=O)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)OC MOL38978
-Cn1c(=O)n2c(=O)n(C)c(=O)n2c1=O MOL38979
-COC(=O)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)Nc1ccccc1 MOL38980
-CON(C(=O)OC(C)(C)C)c1ccccc1 MOL38981
-C=CCCON(C(=O)OC(C)(C)C)C(C)(C)C MOL38982
-C=CCON(C(=O)OC(C)(C)C)C(C)(C)C MOL38983
-C=CCCON(C(=O)OC(C)(C)C)c1ccccc1 MOL38984
-Cn1c(=O)[nH]n(C2Cn3c(=O)n(C)c(=O)n3-c3ccccc32)c1=O MOL38985
-CC(C)[N+]12CC[N+]3(C(C)C)CC[N+](C(C)C)(CC1)[Mo-3]23(=O)(=O)=O MOL38986
-COC(=O)c1cc(C(=CCCOS(C)(=O)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL38987
-COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL38988
-OCC1CCC(n2cnc3c(O)nncc32)O1 MOL38989
-OCC1CCC(n2nnc3c(O)nncc32)O1 MOL38990
-FC(F)(F)c1ccc(C2=NS(c3ccccc3)=NC(c3ccc(C(F)(F)F)cc3)=NS(c3ccccc3)=N2)cc1 MOL38991
-Brc1ccc(C(N=NC(=NSc2ccccc2)c2ccc(Br)cc2)=NSc2ccccc2)cc1 MOL38992
-CC(=O)N1CCOC12N=NC(C)(C)O2 MOL38993
-CC(=O)OC1CCC2(C)C(=CCC3C4Cc5cnn(-c6ccc(F)cc6)c5NC4(C)CCC32)C1 MOL38994
-C#CC1(O)CCC2C3CCC4=CC(=NOCCN(C)C)CCC4(C)C3CCC21C MOL38995
-COc1ccc(-n2cnc3c(NCC(=O)O)ncnc32)cc1 MOL38996
-COc1ccc(-n2cnc3c(NC(Cc4ccccc4)C(=O)O)ncnc32)cc1 MOL38997
-COc1ccc(-n2cnc3c(NC(C)(C)C(=O)O)ncnc32)cc1 MOL38998
-COc1ccc(-n2cnc3c(NC(CCSC)C(=O)O)ncnc32)cc1 MOL38999
-COC(=O)C(C)(C)NC(=O)C(Cc1ccccc1)Nc1ncnc2c1ncn2-c1ccc(OC)cc1 MOL39000
-Cc1cccc2c(NCCN(C)C)c3cccc(C(=O)NCCN(C)C)c3nc12.Cl MOL39001
-CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 MOL39002
-CN(C)CCC(=O)c1ccc(Cl)cc1.Cl MOL39003
-COc1ccc(C(=O)CCN(C)C)cc1.Cl MOL39004
-CC1(C)OC(=O)c2cc(C(=CCCBr)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1 MOL39005
-COC(=O)c1cc(C(=CC(=O)OC(C)(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL39006
-COC(c1ccc(O)cc1)C1NC(=O)C(CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(C)C(O)C(C)CC(C)C)C(C)C(C)C(N)=O)C(C)OC(=O)C(C)N(C)C1=O MOL39007
-CCCCCCOc1ccc(C(=O)NO)cc1 MOL39008
-CCCCCCc1ccc(C(=O)NO)cc1 MOL39009
-O=C(NO)c1cccc(OCc2ccc(Br)cc2)c1 MOL39010
-CN(O)C(=O)c1cccc(Cl)c1 MOL39011
-CCCCCCOc1ccc(C(=O)N(C)O)cc1 MOL39012
-CN(O)C(=O)c1ccc(OCc2cccc(Cl)c2)cc1 MOL39013
-O=C(NO)c1ccc(OCc2ccccc2)cc1 MOL39014
-O=C(NO)c1ccc(OCc2cccc(Cl)c2)cc1 MOL39015
-NC(=O)N(O)c1cccc(Br)c1 MOL39016
-O=C(Cc1ccc(OCc2cccc(Cl)c2)cc1)NO MOL39017
-O=C(C=Cc1ccc(OCc2cccc(Cl)c2)cc1)NO MOL39018
-CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1 MOL39019
-CN(O)C(=O)C=Cc1ccc(OCc2cccc(Cl)c2)cc1 MOL39020
-O=C(CCC(=O)c1ccc(Cl)cc1)NO MOL39021
-CCCCCCOc1ccc(C(=O)NOC)cc1 MOL39022
-CCCCCCOc1ccc(C(=O)NOCc2ccccc2)cc1 MOL39023
-CNc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC1CO MOL39024
-COC(=O)C1CC(O)CN1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] MOL39025
-CNc1cc(N)ccc1C(=O)N1CCCC1CO MOL39026
-Nc1ccc(C(=O)N2CCCC2CO)c(N)c1 MOL39027
-O=C1Nc2cc([N+](=O)[O-])ccc2C(=O)N2CCCC12 MOL39028
-COCN1C(=O)C2CCCN2C(=O)c2ccc([N+](=O)[O-])cc21 MOL39029
-O=C1c2ccc([N+](=O)[O-])cc2N(C(=O)OCc2ccccc2)C(O)C2CCCN12 MOL39030
-Nc1ccc2c(c1)NC(=O)C1CCCN1C2=O MOL39031
-COCN1C(=O)C2CCCN2C(=O)c2ccc(N)cc21 MOL39032
-O=C1C2CC(O)CN2C(=O)c2ccccc2N1CCCO MOL39033
-COc1cc(OC)nc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)n1 MOL39034
-Cn1c(C(C#N)C(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccccc21 MOL39035
-N#CC(C(=O)c1ccccc1F)c1nc2ccccc2s1 MOL39036
-Nc1c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1cccc(C(=O)O)c1 MOL39037
-COc1ccc(-c2c(N)n(-c3cccc(C(=O)O)c3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1 MOL39038
-COc1ccc(-c2c(N)n(-c3cc(OC)cc(OC)c3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1 MOL39039
-Cn1c2ccccc2n2c(=O)c3cc([N+](=O)[O-])ccc3c(C#N)c12 MOL39040
-Cn1c2ccccc2n2c3ccccc3c(=S)c(C#N)c12 MOL39041
-COc1cc(OC)nc(Nc2c(C#N)c3nc4ccccc4n3c3ccccc23)n1 MOL39042
-N#Cc1c(OCCF)c2ccccc2n2c1nc1ccccc12 MOL39043
-N#Cc1c(N2CCC(O)C2)c2ccccc2n2c1nc1ccccc12 MOL39044
-COc1cccc(N2N=C3c4ccccc4-n4c(nc5ccccc54)C3C2N)c1 MOL39045
-N#Cc1c(Nc2nc3ccccc3s2)c2ccccc2n2c1nc1ccccc12 MOL39046
-CSc1c(C#N)c2n(c3ccccc13)c1ccccc1[n+]2C.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39047
-OC(c1cc2ccccc2[nH]1)C1(c2cccnc2)SCCCS1 MOL39048
-C=C(C(=O)OC)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 MOL39049
-O=[N+]([O-])c1ccc2nc3ccc([N+](=O)[O-])cn3c2c1 MOL39050
-O=[N+]([O-])c1cccc(-c2cn3c(n2)Cc2ccccc2C3)c1 MOL39051
-COC(=O)c1nn2ccc3ccccc3c2c1C(=O)OC MOL39052
-COC(=O)c1cnn2c1ccc1ccccc12 MOL39053
-O=[N+]([O-])c1ccc(C(Nc2ccccc2)P(c2ccccc2)c2ccccc2)cc1 MOL39054
-NC1=CN2c3ccccc3N(CC(=O)N3CCOCC3)C2C=C1 MOL39055
-CC(=O)Nc1ccc2c(c1)nc1c3ccccc3ccn21 MOL39056
-CCC1CN(C(=O)c2ccccc2)C(Cc2c[nH]c3ccccc23)C(=O)C1CC(=O)OC MOL39057
-CCOC(=O)CC1CCN(C(=O)c2ccccc2)C2Cc3c([nH]c4ccccc34)C12C[N+](=O)[O-] MOL39058
-Cc1cc(-c2c(Br)cc(C(=O)O)n2C)on1 MOL39059
-CC(C)(C)OC(=O)C(C#N)C(=O)c1ccc(C(=O)O)[nH]1 MOL39060
-O=C1CC(c2ccc[nH]2)=NN1c1ccccc1 MOL39061
-CCOC(=O)c1cc(I)c(-c2cc(C)no2)n1C MOL39062
-Cc1cc(-c2ccc(C(=O)C(Cl)(Cl)Cl)[nH]2)on1 MOL39063
-O=C1C(=C2CCCN2)C(c2ccc[nH]2)=NN1c1ccccc1 MOL39064
-CCOC(=O)c1ccc(-c2cc(C)[nH]n2)[nH]1 MOL39065
-CCOC(=O)c1cc(Br)c(-c2cc(C)no2)[nH]1 MOL39066
-CCOC(=O)c1ccc(-c2cc(C)no2)[nH]1 MOL39067
-C=CCN1CCC(O)(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1 MOL39068
-COC(=O)c1cc(Br)c(C(=O)C(Cl)(Cl)Cl)[nH]1 MOL39069
-O=[N+]([O-])c1ccc(C2=Cc3ccc4ccccc4[n+]3[N-]C2)cc1 MOL39070
-O=C(O)c1c(-c2ccccc2)nn2c1ccc1ccccc12 MOL39071
-CCOC(=O)c1c(C)nn2c1ccc1ccccc12 MOL39072
-C=C(c1cccn1S(=O)(=O)c1ccccc1)c1cccn1S(=O)(=O)c1ccccc1 MOL39073
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CC#N MOL39074
-Cc1cn(C2CC(COCc3ccccc3)N(CCO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL39075
-Cc1c(Cc2ccccc2)n(C(C)OCCN(OC(=O)Oc2ccccc2)C(=O)Oc2ccccc2)c(=O)[nH]c1=O MOL39076
-CC(C)(C)[Si](C)(C)OC1C(=CC#N)C(n2ccc(=O)[nH]c2=O)OC1CO MOL39077
-COC(=O)C1OC12C(CO[Si](C)(C)C(C)(C)C)OC(n1ccc(=O)[nH]c1=O)C2O[Si](C)(C)C(C)(C)C MOL39078
-Cc1cn(C2CC(N(O)C(N)=O)C(CO)O2)c(=O)[nH]c1=O MOL39079
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2C(N)=O MOL39080
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2CO MOL39081
-Cc1cn(C2CC(COCc3ccccc3)N(CCO)O2)c(=O)[nH]c1=O MOL39082
-Cc1cn(C(C)OCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL39083
-Cc1cn(C2OC(CO)C(CC(N)=O)C2O)c(=O)[nH]c1=O MOL39084
-CCc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O MOL39085
-Cc1c(Cc2ccccc2)n(C(C)OCCN(O)C(N)=O)c(=O)[nH]c1=O MOL39086
-Cc1cn(COCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O MOL39087
-Cc1cn(C2CC(NC(=O)NO[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL39088
-Cc1c(Cc2ccccc2)n(C(C)OCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O MOL39089
-CSCCC1OCC2OC(n3ccc(=O)[nH]c3=O)CC2N1O MOL39090
-Cc1c(Cc2ccccc2)n(C(C)OCCN2C(=O)C=CC2=O)c(=O)[nH]c1=O MOL39091
-CCc1c(Cc2ccccc2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O MOL39092
-Cc1cn(C2CC(N(O)C3C4CC5CC(C4)CC3C5)C(CO)O2)c(=O)[nH]c1=O MOL39093
-CC(C)(C)[Si](C)(C)OC1C(C[N+]([O-])=NNc2ccc([N+](=O)[O-])cc2)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL39094
-Cc1cn(C2CC([N+](=O)[N-]Nc3ccc([N+](=O)[O-])cc3)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL39095
-CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCO MOL39096
-Cc1cn(COCC[Se]c2ccccc2)c(=O)[nH]c1=O MOL39097
-Oc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCOCC1)CC2 MOL39098
-Oc1ccc2c(c1)CCc1c-2n(CCN2CCOCC2)c2ccc(O)cc12 MOL39099
-CC(Cn1c2c(c3cc(O)ccc31)CCc1ccc(O)cc1-2)N(C)C MOL39100
-Oc1ccc2c(c1)c1c(n2CCN2CCOCC2)-c2ccccc2CC1 MOL39101
-COC(=O)C1C2C=CC(C2)N1S(=O)(=O)c1ccccc1 MOL39102
-CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23 MOL39103
-CN(C)CCN(C)c1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23 MOL39104
-CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(O)cc4c(=O)c1c23 MOL39105
-CN(C)CCn1c(=O)c2ccc(NCCNCCO)c3c(=O)c4cc(O)ccc4n(c1=O)c23 MOL39106
-CN1C(=O)CC(=O)N1C(=Cc1ccccc1)c1ccccc1 MOL39107
-O=C1CC(=O)N(c2ccccc2)N1C(=Cc1ccccc1)c1ccccc1 MOL39108
-CC(=C(c1ccccc1)c1ccccc1)N1C(=O)CC(=O)N1C MOL39109
-CC(=Cc1ccccc1)n1c(=O)cc(C)n1C MOL39110
-CCc1cc(=O)n(C(C)=Cc2ccccc2)n1C MOL39111
-CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39112
-CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39113
-CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39114
-O=[N+]([O-])C(=Cc1ccccc1)C(=Cc1ccccc1)[N+](=O)[O-] MOL39115
-O=[N+]([O-])C(=Cc1cccc2ccccc12)C(=Cc1cccc2ccccc12)[N+](=O)[O-] MOL39116
-O=[N+]([O-])C(=Cc1cccs1)C(=Cc1cccs1)[N+](=O)[O-] MOL39117
-COc1ccc(C=C(C(=Cc2ccc(OC)cc2)[N+](=O)[O-])[N+](=O)[O-])cc1 MOL39118
-Cc1cc(C)c(C=C(C(=Cc2c(C)cc(C)cc2C)[N+](=O)[O-])[N+](=O)[O-])c(C)c1 MOL39119
-CCC=C(C(=CCC)[N+](=O)[O-])[N+](=O)[O-] MOL39120
-O=[N+]([O-])C(=CC1CCCCC1)C(=CC1CCCCC1)[N+](=O)[O-] MOL39121
-Cc1cc(C)c(S(=O)(=O)N(CCCN)OCCCN)c(C)c1.Cl MOL39122
-Cc1cc(C)c(S(=O)(=O)N(CCCCCN)OCCCN)c(C)c1.Cl MOL39123
-Br.NCCCCNOCCCN MOL39124
-Cc1cc(C)c(S(=O)(=O)N(CCCCN)OCCCN)c(C)c1.Cl MOL39125
-COc1cccc(CC2Cc3ccccc3CC(=O)N2)c1 MOL39126
-COc1cc(CCCl)c(CC2=NCCc3cc(OC)c(OC)cc32)cc1OC.Cl MOL39127
-COc1ccc2c(c1)CCN=C2Cc1cc(OC)c(OC)cc1CCCl.Cl MOL39128
-COc1cc2c(cc1OC)-c1cc3ccccc3c[n+]1CC2.[Cl-] MOL39129
-COc1cc2c(cc1OC)-c1cc3ccccc3c(=O)n1CC2 MOL39130
-COc1cc2c(cc1OC)-c1cc3cc(OC)c(OC)cc3c(=O)n1CC2 MOL39131
-COc1ccc2c(c1)CC1Cc3ccccc3CCN1C2 MOL39132
-COc1ccc(C(=C2C=CC=C2)c2ccc(OC)cc2)cc1 MOL39133
-CCn1cc[n+]([Pt-2]2([n+]3ccn(CC)c3)[OH+]C(=O)CC(O)C(=O)[OH+]2)c1 MOL39134
-O=C1CC(O)C(=O)[OH+][Pt-2]2(NCCN2)[OH+]1 MOL39135
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3CCC(n4cnc5c(O)ncnc54)O3)O2)c(=O)n1 MOL39136
-Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)c(=O)[nH]c1=O MOL39137
-CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)NC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(NC(=O)C(CS)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)CN)C(C)O)C(C)O)C(C)C)C(C)O)C(C)C)C(C)O)C(=O)NC(CCCNC(=N)N)C(N)=O MOL39138
-CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)CNC(=O)C(NC(=O)CN)C(C)O)C(C)O)C(C)C)C(C)O)C(C)C)C(C)O)C(=O)NC(CCCNC(=N)N)C(N)=O MOL39139
-CCC(C)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)OC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)CC)C(=O)NCOC#N MOL39140
-CCC(C)C(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(=O)NC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O)C(C)CC)C(=O)NCC(N)=O MOL39141
-CCC(C)C(NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(N)=O)C(C)CC)C(C)OC1OC(CO)C(O)C(O)C1NC(C)=O)C(C)C MOL39142
-CCC(C)C(NC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)O)C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(N)=O MOL39143
-CCC(C)C(NC(=O)C(CCCC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CCCC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(COC1OC(CO)C(O)C(O)C1NC(C)=O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CC(N)=O)C(C)O)C(C)CC)C(C)CC)C(C)C)C(C)O)C(C)CC)C(=O)NCC(N)=O MOL39144
-CCOC(=O)C=C(OCC)C1C(C(=O)c2ccc(Cl)cc2)C1C(=CC(=O)OCC)OCC MOL39145
-CCOC(=O)C=C(OCC)C1C(C(=O)c2ccc(Cl)cc2)C1C(=CC(=O)OCC)OCC MOL39146
-COC(=O)C1CCCN1CCN1CCCC1C(=O)OC.Cl MOL39147
-O=C(O)C(Cc1ccccc1)NCCN1CCCC1C(=O)O MOL39148
-[Cl-].c1ccc2c(c1)SC1Sc3ccccc3[S+]21 MOL39149
-O=S1c2ccccc2SCSc2ccccc21 MOL39150
-CCOC(=O)C12C(=C(c3ccccc3)OC3C=CCCC31)C(=O)C(=O)N2c1ccccc1 MOL39151
-CCOC(=O)C12C3C=CC(CC3)C1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 MOL39152
-CCOC(=O)c1oc2cc3c(c4c2c1c1ccccc1n4C)C=CC(C)(C)O3 MOL39153
-CC(C)(C)c1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C(C)(C)C)c4ccc(c1=O)c2c34 MOL39154
-CCCC1(n2c(=O)c3ccc4c(=O)n(C5(CCC)CCCCC5)c5ccc(c2=O)c3c45)CCCCC1 MOL39155
-Cl.NCCCNOCCCN MOL39156
-CC(=O)OCC1OC(OCC2OC(N3C(=S)NC(C(O)C(O)C(O)CO)C3O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL39157
-CC(=O)OCC1OC(N2C(=S)NC(C(O)C(O)C(O)CO)C2O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL39158
-CC(=O)c1cc2sc3ccccc3c2[nH]1 MOL39159
-O=C1OCCC12CN(Cc1ccccc1)N=N2 MOL39160
-CC1OC(=O)C2N=NN(Cc3ccccc3)C12 MOL39161
-O=C1CC(Sc2ccccc2)C2(OCCO2)C(Sc2ccccc2)C1 MOL39162
-O=C1CC(Sc2ccccc2)C2(OCCO2)C2ON3CCCCC3C12 MOL39163
-COc1ccc(CCN(C)C(=O)CC(C#N)(c2ccccc2)c2ccc(OC)c(OC)c2)cc1OC MOL39164
-CCOC(=O)c1c[nH]c(C(=O)OCC)c1-c1cccn1-c1ccccc1 MOL39165
-CCOC1=NC(O)c2cccn2-c2sccc21 MOL39166
-CNC1=Nc2ccccc2C(=S)N2CSCC12 MOL39167
-OCCNC1=Nc2ccc(Cl)cc2C(=S)N2CSCC12 MOL39168
-CC1(C)OC2COC(C)(C)OC(C3SCCCS3)C2O1 MOL39169
-CC1(C)OC(CO)C(C(O)C(O)C2SCCCS2)O1 MOL39170
-CCCNC1=NC(C)=CSC(Nc2ccccc2)=C1C#N MOL39171
-N#CC1=C(Nc2ccccc2)SC=C(c2ccccc2)N=C1NCc1ccccc1 MOL39172
-CNc1ncnc2c1nc(NC1CCCC1)n2C1OC(CO)C(O)C1O MOL39173
-COC(=O)C(C)(C)OCc1ccc(C2NC(=O)N(c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 MOL39174
-CC(C)CC1C(OCc2ccccc2)COS(=O)N1C(C)c1ccccc1 MOL39175
-C=COC(=O)N1C2CCCC(Cl)(C(C)=O)C1CC2 MOL39176
-CC(=NNc1ncnc2ccccc12)c1ccccn1 MOL39177
-CC(=NOc1cc(Cl)ncn1)c1ccccn1 MOL39178
-Clc1cc(NN=C(c2ccccc2)c2ccccn2)ncn1 MOL39179
-C(=NNc1ccc2ccccc2n1)c1ccccn1 MOL39180
-CC(=NNc1ccc2ccccc2n1)c1ccccn1 MOL39181
-CC(=NNC(=S)N1CCCCC1)C(C)=NNC(=S)N1CCCCC1 MOL39182
-CC(=NNC(=S)N1CCCCCC1)C(C)=NNC(=S)N1CCCCCC1 MOL39183
-CN(C)C(=S)NN=CC=NNC(=S)N(C)C MOL39184
-S=C(NN=CC=NNC(=S)N1CCCCC1)N1CCCCC1 MOL39185
-S=C(NN=CC=NNC(=S)N1CCCCCC1)N1CCCCCC1 MOL39186
-CC(C=NNC(=S)N(C)C)=NNC(=S)N(C)C MOL39187
-CC(C=NNC(=S)N1CCCCC1)=NNC(=S)N1CCCCC1 MOL39188
-CN(C)C(=S)NN=CC(=NNC(=S)N(C)C)c1ccccc1 MOL39189
-S=C(NN=CC(=NNC(=S)N1CCCCC1)c1ccccc1)N1CCCCC1 MOL39190
-CNC(=S)NN=C(C)C(=NNC(=S)NC)c1ccccc1 MOL39191
-CC(=NNC(=S)N(C)C)C(=NNC(=S)N(C)C)c1ccccc1 MOL39192
-CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N1CCCCC1)c1ccccc1 MOL39193
-CNC(=S)NN=C(C(=NNC(=S)NC)c1ccccn1)c1ccccn1 MOL39194
-CN(C)C(=S)NN=C(C(=NNC(=S)N(C)C)c1ccccn1)c1ccccn1 MOL39195
-S=C(NN=C(C(=NNC(=S)N1CCCCC1)c1ccccn1)c1ccccn1)N1CCCCC1 MOL39196
-CC(=NNC(=S)N1CCN(C(=S)NN=C(C)c2ccccn2)CC1)c1ccccn1 MOL39197
-Cc1c(C=NNC(=S)N2CCCCC2)c(=O)n(-c2ccccc2)n1C MOL39198
-Cc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 MOL39199
-Cc1c(NC(=S)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C MOL39200
-Cc1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C MOL39201
-COc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 MOL39202
-COC1(OC)C2(Cl)CC(OC(C)=O)C1(Cl)C(Cl)=C2Cl MOL39203
-COC(=O)N1CC2C3C4CC(C(c5ccccc5)=C4c4ccccc4)C3C21 MOL39204
-COc1cc(C(O)(CC#N)c2cc3c(cc2Br)OCO3)cc(OC)c1OC MOL39205
-COC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1C(=O)Oc1ccccc1)C1OC12 MOL39206
-CC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)c1ccccc1)C(O)C2O MOL39207
-COC12OC3(C(CO[Si](C)(C)C(C)(C)C)OC(=O)C3C1S(=O)(=O)c1ccccc1)C1OC12 MOL39208
-COC12OC3(C(CO)OC(=O)C3C1S(=O)(=O)c1ccccc1)C1OC12 MOL39209
-COc1ccc(CC(CO)NC(=O)OCc2ccccc2)cc1Oc1ccc(CC(CO)NC(=O)OCc2ccccc2)cc1 MOL39210
-CC12OC3(C4OC41)C(C(=O)N1CCOC13C)C2Cl MOL39211
-COc1cc2c(cc1OC)C1OC(c3cc(OC)c(OC)cc3C1OC(C)=O)C2OC(C)=O MOL39212
-COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)O1 MOL39213
-COc1cc2c(cc1OC)CC(N=[N+]=[N-])c1cc(OC)c(OC)cc1C=C2 MOL39214
-COc1cc2c(cc1OC)CC(=NO)c1cc(OC)c(OC)cc1C=C2 MOL39215
-COc1cc2c(cc1OC)C(CCl)c1cc(OC)c(OC)cc1C=C2 MOL39216
-COc1cc2c(cc1OC)C1C=NC(C2)c2cc(OC)c(OC)cc21 MOL39217
-Cl.c1ccc(SC(CNCCc2ccco2)c2ccc3c(c2)OCO3)cc1 MOL39218
-O=C(C=Cc1ccc2c(c1)OCO2)NCCc1ccco1 MOL39219
-COc1cc2c(cc1OC)C1CNC(C2)c2cc(OC)c(OC)cc21 MOL39220
-NC(=O)NN=C1CC2CCCCC2C1 MOL39221
-C=C(C1(O)CC2C(CCC2(OC)OC)C2c3ccccc3OC21)[Si](C)(C)C MOL39222
-CC1(C(=O)O)CCC(C(=O)O)C(C)(C)O1 MOL39223
-CC12CCC(C(=O)OC1=O)C(C)(C)O2 MOL39224
-CC1(C)OCC=CCO1 MOL39225
-COC1OC(=O)C(OC)C(OC)C1OC MOL39226
-COC(=O)C1C(C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 MOL39227
-CC(O)=C1C(=O)CCC1=O MOL39228
-CN1Cc2cc(O)c(O)cc2C(O)C1 MOL39229
-CC1(C)OCC(C=CC(O)CC2(C)OCCO2)CO1 MOL39230
-CC12CCC(C(=O)O1)C(C)(C)O2 MOL39231
-O=S1(=O)CC(NCc2ccccc2)C(NCc2ccccc2)C1 MOL39232
-O=S1(=O)CC(NCc2ccccc2)C(NCc2ccccc2)C1 MOL39233
-O=C1N(Cc2ccccc2)C2CSCC2N1Cc1ccccc1 MOL39234
-O=C1OCC2C(=O)OCC12 MOL39235
-CCOC(=O)C(C(=O)OCC)C(C(=O)OCC)C(=O)OCC MOL39236
-CCOC(=O)NC1CS(=O)(=O)CC1Cl MOL39237
-CCOC(=O)C1(C(=O)OCC)COC(C)(C)OC1 MOL39238
-O=C(C=Cc1ccccc1)Oc1ccc(C=C2CCCCC2=O)cc1 MOL39239
-O=C(C=Cc1ccc(Cl)cc1)Oc1ccc(C=C2CCCCC2=O)cc1 MOL39240
-COc1ccc(C=CC(=O)Oc2ccc(C=C3CCCCC3=O)cc2)cc1 MOL39241
-O=C(C=Cc1ccc(Cl)c(Cl)c1)Oc1ccc(C=C2CCCCC2=O)cc1 MOL39242
-CN(C)CC1CCCC(=Cc2ccc(OC(=O)C=Cc3ccc(Cl)cc3)cc2)C1=O.Cl MOL39243
-CN(C)CC1CCCC(=Cc2ccc(OC(=O)C=Cc3ccc(Cl)c(Cl)c3)cc2)C1=O.Cl MOL39244
-O=C(C=Cc1ccccc1)Oc1ccc(C=C2CCCC(=Cc3ccc(OC(=O)C=Cc4ccccc4)cc3)C2=O)cc1 MOL39245
-Cc1ccc(C=CC(=O)Oc2ccc(C=C3CCCC(=Cc4ccc(OC(=O)C=Cc5ccc(C)cc5)cc4)C3=O)cc2)cc1 MOL39246
-O=C1C(=Cc2ccc(OC(=O)c3ccccc3)cc2)CCCC1=Cc1ccc(OC(=O)c2ccccc2)cc1 MOL39247
-O=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)CCCC1=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 MOL39248
-Cc1ccc(C(=O)Oc2ccc(C=C3CCCC(=Cc4ccc(OC(=O)c5ccc(C)cc5)cc4)C3=O)cc2)cc1 MOL39249
-COC(=O)C(Cc1ccccc1)NC(=O)NC(C)C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)C(C)C MOL39250
-CC(=O)Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1 MOL39251
-COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1 MOL39252
-Nc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(N)c3ccccc43)cc2c1 MOL39253
-Cc1cccc2c(N)c3cccc(C(=O)NCCCNCCN)c3nc12.Cl MOL39254
-CNc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12.Cl MOL39255
-Cc1cccc2c(N)c3cccc(C(=O)NCCNCCN)c3nc12.Cl MOL39256
-O=C([O-])C(F)(F)F.Oc1cc(O)c2ccc(-c3ccc(O)c(O)c3)[o+]c2c1 MOL39257
-COC(C(=O)OCC1C2OC(c3cc4c(cc32)OCO4)C1COC(C)=O)(c1ccccc1)C(F)(F)F MOL39258
-O=S(=O)(c1ccccc1)C1CC(c2nc3ccccc3[nH]2)=NO1 MOL39259
-CC(=O)Oc1c2c(c(CC=C(C)C)c3c1C(=O)C1=CC4CC5C(C)(C)OC(CC=C(C)C(=O)O)(C4=O)C15O3)OC(C)(CCC=C(C)C)C=C2 MOL39260
-CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O MOL39261
-CCCc1[nH]c2ccccc2c1-c1c(CCC)[nH]c2ccccc12 MOL39262
-CCOC(=O)CSC1NC(C(=O)OC)CC1OC MOL39263
-CC=C1CC(C(=O)OC)N(C(=O)OCc2ccccc2)C1=S MOL39264
-COC(=O)C1CC(=CN(C)C)C(=S)N1 MOL39265
-COC(=O)C1CCC(=S)N1C(=O)OCc1ccccc1 MOL39266
-COC(=O)C1CC=C(SC(=O)c2ccccc2)N1C(=O)c1ccccc1 MOL39267
-COC(=O)C1CCC(=S)N1C(=O)c1ccccc1 MOL39268
-COC(=O)C1CC(C=[N+](C)C)=C(SC)N1C(=O)OCc1ccccc1.[I-] MOL39269
-COC(=O)C1CC(C=[N+](C)C)=C(SC)N1.[I-] MOL39270
-COC(=O)C1CCC(=S)N1C(C)=O MOL39271
-CCOP(=Nc1ccc(N(C)C)cc1)(OCC)OCC MOL39272
-CCOP(=O)(Nc1ccc(N(C)C)cc1)OCC MOL39273
-COc1cc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc(OC)c1OC MOL39274
-COc1cc(OC)cc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)c1 MOL39275
-COc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 MOL39276
-CCOC(=O)CCC(NC(=O)c1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1)C(=O)OCC MOL39277
-CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC MOL39278
-N#Cc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 MOL39279
-CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C(=O)OC)s1 MOL39280
-COC(=O)c1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 MOL39281
-N#Cc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 MOL39282
-Fc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 MOL39283
-C#CCN(Cc1ccc2nc(-c3ccccc3)c(Cl)nc2c1)c1ccc(F)cc1 MOL39284
-CCOC(=O)c1nc2ccccc2nc1Oc1cc(OC)c(OC)c(OC)c1 MOL39285
-Fc1ccc(OCc2nc3cc(C(F)(F)F)ccc3nc2-c2ccccc2)cc1 MOL39286
-Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)NN=C(C#N)S2(=O)=O MOL39287
-Cc1c2c(n(CCc3ccccc3)c1C)NN=C(C#N)S2(=O)=O MOL39288
-CCCCn1c(C)c(C)c2c1NN=C(C#N)S2(=O)=O MOL39289
-Cc1c2c(n(CCN(C)C)c1C)NN=C(C#N)S2(=O)=O MOL39290
-Cc1c2c(n(CC(c3ccccc3)c3ccccc3)c1C)NN=C(C#N)S2(=O)=O MOL39291
-Cc1c2c(n(Cc3ccccn3)c1C)NN=C(C#N)S2(=O)=O MOL39292
-N#CC1=CNc2sccc2S1(=O)=O MOL39293
-Nc1sccc1S(=O)(=O)c1ccsc1N MOL39294
-Cc1oc(N)c(S(=O)(=O)c2cc3ccccc3[n+]([O-])c2N)c1C MOL39295
-Cc1oc2c(c1C)S(=O)(=O)C(C#N)=C(c1ccccc1)N2 MOL39296
-CCOC(=O)C1=C(C#N)S(=O)(=O)c2c(oc(C)c2C)N1 MOL39297
-Cc1oc2c(c1C)S(=O)(=O)C(C#N)=CN2 MOL39298
-CC1=C(C#N)S(=O)(=O)c2c(oc(C)c2C)N1 MOL39299
-Cc1oc2c(c1C)S(=O)(=O)C(C#N)=C(N(C)C)N2 MOL39300
-Cc1oc2c(c1C)S(=O)(=O)C(C#N)C(c1ccccc1)N2 MOL39301
-Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)NC(c1ccccc1)C(C#N)S2(=O)=O MOL39302
-Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)C(F)(F)F)cc1 MOL39303
-O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F MOL39304
-O=C(Nc1sccc1S(=O)(=O)c1ccccc1)c1ccccc1 MOL39305
-Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)c2ccccc2)cc1 MOL39306
-CC(=O)Nc1sccc1S(=O)(=O)c1ccsc1NC(C)=O MOL39307
-Clc1c2ccccc2nc2c1[nH]c1ccccc12 MOL39308
-O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 MOL39309
-O=C(O)C12C3C4(C(=O)O)C1C1(C(=O)O)C2C3(C(=O)O)C41 MOL39310
-CCOC(=O)C1C(c2ccc(OC)cc2)c2c(n[nH]c2O)CC1(C)O MOL39311
-CCOC(=O)C1C(c2ccc(OC)cc2)c2c(n[nH]c2O)CC1(O)OCC MOL39312
-CCOC(=O)C1C(c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)CC1(C)O MOL39313
-CCOC(=O)C1C(c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)CC1(O)OCC MOL39314
-CCOC(=O)C1C(c2ccc(O)c(OC)c2)c2c(n[nH]c2O)CC1(C)O MOL39315
-C=CCOc1ccc(C2c3c(n[nH]c3O)CC(C)(O)C2C(=O)OC)cc1OC MOL39316
-C=CCOc1ccc(C2c3c(n[nH]c3O)CC(O)(OCC)C2C(=O)OCC)cc1OC MOL39317
-CCOC(=O)C1C(c2ccc3c(c2)OCO3)c2c(n[nH]c2O)CC1(C)O MOL39318
-CCOC(=O)C1C(c2ccc3c(c2)OCO3)c2c(n[nH]c2O)CC1(O)OCC MOL39319
-CC(C)CCn1[nH]c(=N)c2nc3ccccc3nc21 MOL39320
-CCN(CC)CCn1[nH]c(=N)c2nc3ccccc3nc21 MOL39321
-Cc1cc2c(cc1C)[n+](=O)[c-](C#N)c(NCCCN(C)C)[n+]2[O-].Cl MOL39322
-Cc1ccc(Nc2[c-](C#N)[n+](=O)c3cc(Cl)ccc3[n+]2[O-])cc1 MOL39323
-CCC(Cl)=NOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 MOL39324
-CC(Cl)=NOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 MOL39325
-CCCC(Cl)=NOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 MOL39326
-CC(C)C(Cl)=NOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 MOL39327
-NC(=S)NN=Cc1cc(CN2CCOCC2)c(N)cn1 MOL39328
-CCOC(=O)C1(C(=O)OCC)CC23OCCC(=O)C2C2C(=O)OC(C)(C)OC23C1 MOL39329
-CCOC(=O)C1(C(=O)OCC)CC(=O)C2(C1)OCCC1OC(=O)CC12 MOL39330
-COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 MOL39331
-CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1 MOL39332
-CC(C)(C)OC(=O)N1CCC(NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 MOL39333
-CC(=O)NC1C(CO)OC2OC(C)(C)OC21 MOL39334
-CC1(C)OC2OC(CO)C(OS(C)(=O)=O)C2O1 MOL39335
-CC1(C)OC2OC(CO[Si](C)(C)C(C)(C)C)C(N=[N+]=[N-])C2O1 MOL39336
-CC1(C)OC2OC(CO)C(N=[N+]=[N-])C2O1 MOL39337
-COC(=O)CN(CC1OC2OC(C)(C)OC2C1NC(C)=O)C(=O)OCc1ccccc1 MOL39338
-COC(=O)CN(CC(O)C(NC(C)=O)C(O)C=O)C(=O)OCc1ccccc1 MOL39339
-COC(=O)CNCC1OC2OC(C)(C)OC2C1N=[N+]=[N-] MOL39340
-COC(=O)CN(CC1OC2OC(C)(C)OC2C1N=[N+]=[N-])C(=O)OCc1ccccc1 MOL39341
-CCCCCC=C(c1cc(I)c(OC)c(C(=O)OC)c1)c1cc(I)c(OC)c(C(=O)OC)c1 MOL39342
-CCCCCC=C(c1ccc(OC)c(C(=O)OC)c1)c1ccc(OC)c(C(=O)OC)c1 MOL39343
-Oc1cnc2c(O)cccc2c1 MOL39344
-O=C1NC(C(CCCCCO)OC(=O)c2ccccc2)CO1 MOL39345
-O=C1OCC2C(O)CCCCCN12 MOL39346
-c1ccc(-c2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 MOL39347
-c1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)cc3ccccc32)cc1 MOL39348
-c1ccc(Cc2cccc3cc(-c4ccc(-c5ccccc5)cc4)[nH]c23)cc1 MOL39349
-CSC1=C(SC)SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1 MOL39350
-C1CC2=C(C1)[Se]C(=C1Sc3nsnc3S1)[Se]2 MOL39351
-c1ccc2c(c1)SC1=C(SC(=C3SC4=C(S3)Sc3ccccc3S4)S1)S2 MOL39352
-COc1ccc(NN(O)c2ccc(OC)cc2)cc1 MOL39353
-CC(=Cc1ccccn1)c1ccccn1 MOL39354
-CCOP(=O)(Nc1ccccc1P(=O)(OCC)OCC)OCC MOL39355
-CC(=O)ON(OC(C)=O)c1ccc(C)cc1 MOL39356
-CCOP(=O)(Nc1ccc(-c2ccccc2)cc1)OCC MOL39357
-CCOP(=O)(Nc1ccc(-c2ccc(N)cc2)cc1)OCC MOL39358
-CCOP(=O)(OCC)c1cc(-c2ccccc2)ccc1N MOL39359
-Cc1cc(C)c(N)c(CO)c1 MOL39360
-Cc1cc(C)c(N)c(CO)c1 MOL39361
-Cc1cc(-c2[nH]c(C(=O)O)cc2I)on1 MOL39362
-Cc1noc(-c2ccc(C(=O)O)[nH]2)c1Br MOL39363
-CCOC(=O)c1cc(C2(OC)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1 MOL39364
-Cc1cc(-c2ccc(C(=O)O)[nH]2)on1 MOL39365
-Cc1cc(-c2ccc[nH]2)on1 MOL39366
-CCCCN1CCC(O)(c2cc(C(=O)O)[nH]c2-c2cc(C)no2)C1=O MOL39367
-CCOC(=O)c1c[nH]c(C(=O)C=[N+]=[N-])c1C1CCN(CC)C1=S MOL39368
-CC(N)=CC(=O)c1[nH]c(C(=O)O)cc1C1CCN(Cc2ccccc2)C1=O MOL39369
-CCOC(=O)c1ccc(-c2onc(C)c2Br)[nH]1 MOL39370
-CCON1CC(C(=O)OC)=C(O)C1=O MOL39371
-CCOC(=O)c1cc(C2CCN(Cc3ccccc3)C2=O)c(C(=O)C=C(C)N)[nH]1 MOL39372
-Cc1cn(C2CC3C(COC(C)N3O)O2)c(=O)[nH]c1=O MOL39373
-COc1ccc(C2OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N2O)cc1 MOL39374
-CC1N(O)CC2OC(n3ccc(=O)[nH]c3=O)C(O)C21O.CC1N(O)CC2OC(n3ccc(=O)[nH]c3=O)C(O)C21O MOL39375
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2C(=O)NO MOL39376
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12OC2C(=O)NN MOL39377
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC(=N)NO MOL39378
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC(=N)NO MOL39379
-Cc1cn(C2CC(NC(=O)NO)C(CO)O2)c(=O)[nH]c1=O MOL39380
-CCc1c(Cc2cc(C)cc(C)c2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O MOL39381
-Cc1c(Cc2ccccc2)n(COCCCO)c(=O)[nH]c1=O MOL39382
-CC(=O)OCCCOCn1c(Cc2ccccc2)c(C)c(=O)[nH]c1=O MOL39383
-Clc1ccc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1 MOL39384
-Clc1ccc(Oc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2Cl)cc1 MOL39385
-Oc1ccccc1C=Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 MOL39386
-CCOc1cc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)ccc1O MOL39387
-COc1cc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc(OC)c1OC MOL39388
-CN(C)c1ccc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1 MOL39389
-O=C1CSC(c2ccc(Cl)cc2)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 MOL39390
-O=C1CSC(c2ccc(Cl)cc2Cl)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 MOL39391
-O=C1CSC(c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 MOL39392
-CCOc1cc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)ccc1O MOL39393
-COc1cc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc(OC)c1OC MOL39394
-CN(C)c1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1 MOL39395
-Cc1ccc(S(=O)(=O)N2C3C=CC(C3)C2C(Cl)(Cl)Cl)cc1 MOL39396
-CCC(CON(C)c1ccccc1)(SC)SC MOL39397
-CSC1C(=O)Nc2ccc3ccccc3c21 MOL39398
-CSC1(Cc2ccccn2)C(=O)Nc2cccc([N+](=O)[O-])c21 MOL39399
-CC(CC1C2CCCC1C2)=NNC(N)=O MOL39400
-COC(=O)CCC1=CCC2(SC)C(=O)Nc3cccc1c32 MOL39401
-O=c1n(-c2ccccc2)c(=O)n2n1C1C=CC2CCCCCC1 MOL39402
-CC12CC1C(c1cccc([N+](=O)[O-])c1)(c1cccc([N+](=O)[O-])c1)N=N2 MOL39403
-CC(=O)OC1C2CCC1C1C2N=NN1c1ccc([N+](=O)[O-])cc1 MOL39404
-CSc1sc(C)cc1-c1nsc(=O)o1 MOL39405
-O=P1(N2CCOCC2)OCCO1 MOL39406
-Cl.[N-]=[N+]=NCc1nc(N)c2c3c(sc2n1)CCCC3 MOL39407
-CCc1cc(-c2nsc(=O)o2)c(S(=O)(=O)CC)s1 MOL39408
-N1=C2NONC2=NC2N=C3NONC3=NC12 MOL39409
-O=C(ON=c1ccc(=O)c(=NOC(=O)c2ccccc2)c1=O)c1ccccc1 MOL39410
-CNC(=O)C1(C#N)C(c2ccccc2)C(C#N)(C(=O)NC)C1c1ccccc1 MOL39411
-O=S(=O)(N=[Se](=O)(c1ccccc1)c1ccccc1)c1ccccc1 MOL39412
-Cc1cc(-c2no[n+]([O-])c2-c2cc(C)sc2S(C)(=O)=O)c(S(C)(=O)=O)s1 MOL39413
-Cc1nc2c(sc3nc4c(cc32)CCC4)c(=O)o1 MOL39414
-O=C1c2n[nH]nc2C(=O)c2n[nH]nc21 MOL39415
-NN=c1nc2[nH]o[nH]c-2nc1=NN MOL39416
-[O-][N+](=Nc1ncc(-c2ccccc2)cn1)c1ncc(-c2ccccc2)cn1 MOL39417
-CCCCCNc1no[nH]c1=N MOL39418
-CC(C)(C)N1NC1C1NN1C(C)(C)C MOL39419
-CCSc1nc(=S)n(-c2ccccc2)c(C)c1C(C)=O MOL39420
-Clc1cc(C(c2cc(Cl)sc2Cl)c2cc(Cl)sc2Cl)c(Cl)s1 MOL39421
-N#CNC(=N)c1sc2nc3c(c(-c4ccc(Br)cc4)c2c1N)CCCC3 MOL39422
-O=C1CSc2nc3ccccc3n2C=NN1 MOL39423
-CC1=CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C MOL39424
-Oc1ccc(N=C2CCC(=C(c3ccccc3)c3ccc(Nc4ccc(O)cc4)cc3)CC2)cc1 MOL39425
-O=C(NC(=S)NC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 MOL39426
-COC(=O)CSC(=S)Nc1nnc(NC(=S)SCOC(C)=O)n1C(=S)SCC(=O)OC MOL39427
-c1cc2nnnn2nc1N1CCCC1 MOL39428
-CCOCc1c(C)cc(C)c(C2C(C(=O)c3ccccc3)N3c4ccccc4C=CC3C2(C#N)C(=O)OCC)c1C MOL39429
-Nc1ccc(S2(c3ccc(N)cc3)C=C(c3ccccc3)C(c3ccccc3)=C2)cc1 MOL39430
-Nc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(N)cc6)oc5c4)cc3o2)cc1 MOL39431
-O=S(=O)(c1ccc(NC2=NC(c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1)c1ccc(NC2=NC(c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1 MOL39432
-c1ccc2c(c1)C1=Nc3ccc(cc3)-c3nc4cc(ccc4o3)NC3=NC(=Nc4ccc5nc(oc5c4)-c4ccc(cc4)NC2=N1)c1ccccc13 MOL39433
-Cc1cc(OCC(=O)NN=CC(Br)=Cc2ccccc2)nc(SCC(=O)NN=CC(Br)=Cc2ccccc2)n1 MOL39434
-CCCCCC=C1c2ccccc2C=Cc2ccccc21 MOL39435
-COC(=O)c1cc(C(=CCCO)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC MOL39436
-COC(=O)c1cc(C(=C2CC2)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC MOL39437
-C=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL39438
-O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl MOL39439
-COc1ccc(-c2c(N)n(-c3nc4ccccc4s3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1 MOL39440
-Nc1c(-c2cccc3ccccc23)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1 MOL39441
-Cn1c(C(C#N)c2ncccc2[N+](=O)[O-])nc2ccccc21 MOL39442
-N#Cc1c(N)n(-c2nc3ccccc3s2)c(=O)c2cc([N+](=O)[O-])ccc12 MOL39443
-CC(NC(=O)Cn1c(Cl)nc2ccccc21)c1ccccc1 MOL39444
-C[n+]1c2ccccc2n2c3ccccc3c(NCCc3ccccn3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39445
-C[n+]1c2ccccc2n2c3ccccc3c(NCc3ccco3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39446
-N#Cc1c(Cl)c2cc([N+](=O)[O-])ccc2n2c1nc1ccccc12 MOL39447
-C[n+]1c2ccccc2n2c3ccccc3c(NCCCN3CCOCC3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39448
-COc1ccc(Nc2c(C#N)c3n(c4ccccc24)c2ccccc2[n+]3C)cc1OC.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39449
-N#CC(c1nc2ccccc2s1)c1ncccc1[N+](=O)[O-] MOL39450
-Cn1c2ccccc2n2c3ncccc3c(=O)c(C#N)c12 MOL39451
-Cc1ccc(S(=O)(=O)O)cc1.Cn1c2ccccc2n2c3ccccc3c3n[nH]c(=N)c-3c12 MOL39452
-CSc1c(C#N)c2n(c3ccccc3[n+]2C)c2ncccc12.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39453
-C[n+]1c2ccccc2n2c3ccccc3c(NCCCn3ccnc3)c(C#N)c21.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39454
-COc1cccc(CCNc2c(C#N)c3n(c4ccccc4[n+]3C)c3ncccc23)c1.Cc1ccc(S(=O)(=O)[O-])cc1 MOL39455
-Cn1c2ccccc2n2c3ncccc3c(=NCCCC(=O)O)c(C#N)c12 MOL39456
-NCCCn1c(Cl)nc2ccccc21 MOL39457
-Cn1c2ccccc2n2c3ncccc3c(=S)c(C#N)c12 MOL39458
-N=c1[nH]c2c(C(=O)O)c3ccc([N+](=O)[O-])cc3c(=O)n2c2ccccc12 MOL39459
-COc1cc(OC)nc(-n2c(N)c(C(=O)O)c3ccc([N+](=O)[O-])cc3c2=O)n1 MOL39460
-Nc1c(C(=O)O)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1nc2ccccc2s1 MOL39461
-COc1cccc(CCn2c(N)c(C(=O)O)c3ccc([N+](=O)[O-])cc3c2=O)c1 MOL39462
-N#CC(c1ccccn1)c1ncccc1[N+](=O)[O-] MOL39463
-CC(C)(CNC(=O)C(Cl)=C(Cl)C(=O)O)CNC(=O)C(Cl)=C(Cl)C(=O)O MOL39464
-Clc1cccc2[nH]ncc12 MOL39465
-O=[N+]([O-])c1ccc2[nH]ncc2c1Cl MOL39466
-O=C(NCCCCCCO)c1cccc2cc3ccccc3nc12 MOL39467
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)cc4)cn3C)cn2C)cn1C MOL39468
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)n4)cn3C)cn2C)cn1C MOL39469
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cn1C MOL39470
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cncc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cn1C MOL39471
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccccc4C(=O)O)cn3C)cn2C)cn1C MOL39472
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(N4C(=O)c5ccccc5C4=O)cn3C)cn2C)cn1C MOL39473
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)nc4)cn3C)cn2C)cn1C MOL39474
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncccc4C(=O)O)cn3C)cn2C)cn1C MOL39475
-CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccnc(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)Nc7cc(C(=O)NCCCN(C)C)n(C)c7)n(C)c6)n(C)c5)c4)cn3C)cn2C)cn1C MOL39476
-COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCC(=O)N4)CC2)cc1 MOL39477
-COc1ccc(C(=O)N2CCN(c3ccc4c(c3)OCC(=O)N4)CC2)cc1OC MOL39478
-COc1ccc(C(=O)N2CCN(c3ccc4[nH]c(=O)oc4c3)CC2)cc1 MOL39479
-O=C1COc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1 MOL39480
-COc1ccc(N2CCN(c3ccc4c(c3)NCC(=O)N4)CC2)cc1 MOL39481
-O=C1CNc2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2N1 MOL39482
-O=C1CNc2cc(N3CCCCC3)ccc2N1 MOL39483
-CCOC(=O)CCC(NC(=O)c1ccc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC MOL39484
-COCCN(CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)CCOC.Cl MOL39485
-CCOC(=O)c1cc2c([nH]1)C(=O)CSC1=C2CCN1Cc1ccccc1 MOL39486
-CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)[nH]1 MOL39487
-CCOC(=O)c1cc2c3c(cc(OC)c2[nH]1)N(C(=O)OCC)CC3 MOL39488
-CCCN1CC=C(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O MOL39489
-CCOC(=O)c1cc(C2(O)CCN(CC(C)CC)C2=O)c(-c2cc(C)no2)[nH]1 MOL39490
-C=CCN1CCC(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O MOL39491
-CCOC(=O)c1cc(C2CCN(CC(C)CC)C2=S)c(-c2cc(C)no2)[nH]1 MOL39492
-CCOC(=O)c1cc2c3c(c(C(C)=O)c(OC)c2[nH]1)N(C(=O)CC)CC3 MOL39493
-CCOC(=O)c1cc2c([nH]1)c(OC(C)=O)cc1c2ccn1Cc1ccccc1 MOL39494
-CCOC(=O)c1cc2c([nH]1)c(O)cc1c2ccn1Cc1ccccc1 MOL39495
-CCOC(=O)c1ccc(C(=O)C(C#N)=C2CCCN2)[nH]1 MOL39496
-CCOC(=O)c1cc(C2CCN(Cc3ccccc3)C2=O)c(C(=O)C(=[N+]=[N-])C(C)=O)[nH]1 MOL39497
-Cc1cc(-c2ccc(C(=O)C(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)on1 MOL39498
-CCOC(=O)c1cc(Br)c(-c2cc(C)co2)[nH]1 MOL39499
-O=C(O)C=NNC(=S)NC1CCCCC1 MOL39500
-CCOc1nc2sc3c(c2c(=O)n1CCSSCCn1c(OCC)nc2sc4c(c2c1=O)CCCC4)CCCC3 MOL39501
-NNC(=O)CCCCCCCC(=O)O MOL39502
-CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)NC(CS)C(=O)OCC MOL39503
-CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O MOL39504
-Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCO)c2n1 MOL39505
-Cc1cc(C)c(S(=O)(=O)N(CCCCCCN)OCCCN)c(C)c1.Cl MOL39506
-Cl.NCCCCCNOCCCN MOL39507
-CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39508
-CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39509
-CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39510
-CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCCCCCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39511
-CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 MOL39512
-CC1(C)C2Cc3cc4nc5ccccn5c4cc3C1C2 MOL39513
-OCCCCCCCCCCCOc1ccc(C2OCC3(CO2)COC(c2ccc(OCCCCCCCCCCCO)cc2)OC3)cc1 MOL39514
-OCCCCCCCCCCCOc1ccc(C2OCC3(CC=CCC3)CO2)cc1 MOL39515
-O=[N+]([O-])c1ccc(NN=Cc2ccc(OCCCCCCCCCCCO)cc2)c([N+](=O)[O-])c1 MOL39516
-CCCCCCCCCCCCOCC1(COCCCCCCCCCCCC)COC(c2ccc(N)cc2)OC1 MOL39517
-CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4ccccc4SSc4ccccc4C(=O)Nc4ccc(S(=O)(=O)c5ccc(NS(=O)(=O)c6ccc(NC(C)=O)cc6)cc5)cc4)cc3)cc2)cc1 MOL39518
-O=C(Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 MOL39519
-COc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)c4ccccc4SSc4ccccc4C(=O)Nc4ccc(S(=O)(=O)c5ccc(NC(=O)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1 MOL39520
-CCCC(=O)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 MOL39521
-CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)=O)cc1 MOL39522
-COc1ccc(C(=O)Sc2ccccc2C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 MOL39523
-CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)c2ccccc2)cc1 MOL39524
-CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCCBr)cc1 MOL39525
-CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(-n4sc5ccccc5c4=O)cc3)cc2)cc1 MOL39526
-CC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL39527
-COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC MOL39528
-CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(=O)CC MOL39529
-CN1Cc2ccccc2S(=O)(=O)n2cccc2C1=O MOL39530
-O=C1NCc2ccccc2S(=O)(=O)n2cccc21 MOL39531
-Cc1cc2[n-][n+]3ncc(-c4ccccc4)n3c2cc1[N+](=O)[O-] MOL39532
-COC(=O)c1cc(NC2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)nc(SC)c1C(=O)OC MOL39533
-CN(C)CCCNc1nnc(NCCCN(C)C)c2c(=O)c3sccc3[nH]c12.Cl MOL39534
-COC(=O)C(C#N)=C(N)c1c(C)c2ccccc2oc1=N MOL39535
-COc1c(Sc2c(SCSc3cnc4ccccc4c3Sc3cnc4ccccc4c3OC)cnc3ccccc23)cnc2ccccc12 MOL39536
-O=c1c(Sc2c(SCSc3cnc4ccccc4c3Sc3c[nH]c4ccccc4c3=O)cnc3ccccc23)c[nH]c2ccccc12 MOL39537
-CC(C)(Oc1ccc(C2CC2Cl)cc1)C(=O)O MOL39538
-COC(=O)C=C1SC2(OC1=Nc1ccccc1)C1CC3CC(C1)CC2C3 MOL39539
-CCN(CC)C(=S)N=C(SC(=S)N(CC)CC)c1ccccc1 MOL39540
-CCOC(=O)Nc1nn(C)c(=NCc2ccccc2)s1 MOL39541
-CCOC(=O)NC(=S)NN(C)C1=NCC(C)(C)S1 MOL39542
-Cc1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1 MOL39543
-O=c1c2cccnc2sn1-c1ccc(Br)cc1 MOL39544
-O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc(Br)cc1 MOL39545
-O=c1c2cccnc2sn1-c1ccc([N+](=O)[O-])cc1 MOL39546
-O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc([N+](=O)[O-])cc1 MOL39547
-Cc1cnc2sn(-c3ccc(Oc4ccccc4)cc3)c(=O)c2c1 MOL39548
-O=c1c2cc([N+](=O)[O-])cnc2sn1-c1ccc(Oc2ccccc2)cc1 MOL39549
-COc1ccc(-n2sc3ncccc3c2=O)cc1 MOL39550
-COc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1 MOL39551
-CCCCc1ccc(-n2sc3ncccc3c2=O)cc1 MOL39552
-CCCCc1ccc(-n2sc3ncc([N+](=O)[O-])cc3c2=O)cc1 MOL39553
-Cc1cnc2c(c1)C(=O)N(c1ccc(Br)cc1)S2(=O)=O MOL39554
-O=C1c2cc(-c3ccccc3)cnc2S(=O)(=O)N1c1ccc(Br)cc1 MOL39555
-O=C1c2cc([N+](=O)[O-])cnc2S(=O)(=O)N1c1ccc(Br)cc1 MOL39556
-Cc1cnc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)S2(=O)=O MOL39557
-O=C1c2cccnc2S(=O)(=O)N1c1ccc([N+](=O)[O-])cc1 MOL39558
-Cc1cnc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)S2(=O)=O MOL39559
-CCCCc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1 MOL39560
-CN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I MOL39561
-CN1C(=O)C2(C=CC3(CC2)OCCO3)c2ccccc21 MOL39562
-COCCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I MOL39563
-C1=CC2(CCC13OCCO3)COc1ccccc12 MOL39564
-COC(=O)N1CC2(C=CC3(CC2)OCCO3)c2ccccc21 MOL39565
-CN1C(=O)C2(C=CC(O)CC2)c2ccccc21 MOL39566
-CN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1OS(=O)(=O)C(F)(F)F MOL39567
-CN(C(=O)C1=CCCCCC1)c1ccccc1I MOL39568
-Cc1ccc(S(=O)(=O)NN=C2C=CC3(CC2)C(=O)N(C)c2ccccc23)cc1 MOL39569
-COC(=O)C=C(C)C(=O)N(C)c1ccccc1I MOL39570
-CC(=CC(=O)O)C(=O)N(C)c1ccccc1I MOL39571
-O=C(C1=CCC2(CC1)OCCO2)N(Cc1ccccc1)c1ccccc1I MOL39572
-C[Si](C)(C)CCOCN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1I MOL39573
-Cc1ccc(S(=O)(=O)NN=C2C=CC3(CC2)C(=O)N(I)c2ccccc23)cc1 MOL39574
-C=CCOC(OCC=C)C(Br)=CC MOL39575
-CN1C(=O)C(CCO)(C(C)(C)C)c2ccccc21 MOL39576
-COC(CC(=CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)Nc1ccccc1I)OC MOL39577
-CN1C(=O)C(CC=O)(C(C)(C)C)c2ccccc21 MOL39578
-COC(CC1(C=CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC MOL39579
-COC(CC(=CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1I)OC MOL39580
-C=CC(C)(C)C1(CC(OC)OC)C(=O)N(C)c2ccccc21 MOL39581
-COC(CC(=CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c1ccccc1I)OC MOL39582
-C=CC(C)(C)C(=C)C(=O)Nc1ccccc1I MOL39583
-C=CC(C)(C)C(=C)C(=O)N(C)c1ccccc1I MOL39584
-Cc1cccc(-c2cccc(COCc3cccc(-c4cccc(CO)n4)n3)n2)n1 MOL39585
-CC1(C)CC23CC(C)(C)c4cccc(c42)OCc2ccc4ccc5ccc(nc5c4n2)COc2cccc1c23 MOL39586
-CC1=C2c3c(C)ccc4ccc(C)c(c34)C2(O)C(C)C1=O MOL39587
-COC(=O)c1c(C)c2c(c(C)c1C(=O)OC)-c1c(C)ccc3ccc(C)c-2c13 MOL39588
-BrCc1ccc(CBr)c2c1-c1c(CBr)ccc3ccc(CBr)c-2c13 MOL39589
-O=S1(=O)Cc2ccc3c4c2-c2c(ccc5ccc(c-4c25)CS(=O)(=O)C3)C1 MOL39590
-Clc1cc(Br)c2c3c(c(Br)cc(Cl)c13)C(Br)=C2Br MOL39591
-COc1ccc(Cc2cc(Cc3ccc(OC)cc3)cc(Cc3ccc(OC)cc3)c2)cc1 MOL39592
-COC(=O)c1ccc(Cc2cc(Cc3ccc(C(=O)OC)cc3)cc(Cc3ccc(C(=O)OC)cc3)c2)cc1 MOL39593
-COC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL39594
-CCC1(c2cccc(C)c2)Oc2ccccc2-n2cccc2C1=O MOL39595
-COc1nc(N)c(NC2OC(CO)C(O)C2O)c(O)n1 MOL39596
-CSc1nc(N)c(NC2OC(CO)C(O)C2O)c(O)n1 MOL39597
-COc1nc(N)c(NC2OC(CO)C(O)C2O)c(O)n1 MOL39598
-CSc1nc(N)c(NC2OC(CO)C(O)C2O)c(O)n1 MOL39599
-COc1nc2c(c(=O)n1C)NC1C(N2)OCC(O)C1O MOL39600
-COc1nc2c(c(=O)n1C)NC1C(N2)OCC(OC(C)=O)C1OC(C)=O MOL39601
-COc1nc2ncc(C(O)C(O)CO)nc2c(=O)n1C MOL39602
-COc1nc2ncc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)nc2c(=O)n1C MOL39603
-COc1nc(O)c2nc(C(O)C(O)CO)cnc2n1 MOL39604
-COc1nc(O)c2nc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)cnc2n1 MOL39605
-COc1nc(O)c2nc(C(O)C(O)CO)cnc2n1 MOL39606
-COc1nc(O)c2nc(C(OC(C)=O)C(COC(C)=O)OC(C)=O)cnc2n1 MOL39607
-CNC(=O)N(Cc1ccccc1)CC1CCCN1C(C)=O MOL39608
-COC(=O)C(NC(=O)N(Cc1ccccc1)CC(CC(C)C)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C MOL39609
-CNC(=O)CNC(=O)N(CC1CCCN1C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C MOL39610
-CCN(CC)C(=O)NC(CC(C)C)C(=O)NC MOL39611
-CCN(CC)C(=O)NC(Cc1ccccc1)C(=O)NC MOL39612
-CNC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)NC(Cc1ccccc1)C(=O)OC)c1ccccc1 MOL39613
-CN(C)C(=O)N(CCC#N)CCN(C(=O)N(C)C)c1ccccc1 MOL39614
-COC(=O)C(Cc1ccccc1)NC(=O)N(CCNC(=O)OC(C)(C)C)c1ccccc1 MOL39615
-N#CCCN(CCCN(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 MOL39616
-N#CCCN(CCCN(C(=O)Nc1ccc(NC(=O)N(CCCN(CCC#N)C(N)=O)c2ccccc2)cc1)c1ccccc1)C(N)=O MOL39617
-N#CCCN(C(=O)Nc1ccc(NC(=O)N(CCC#N)c2ccccc2)cc1)c1ccccc1 MOL39618
-CC(NC(=O)Nc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2C(=O)O)n1)c1ccccc1 MOL39619
-COC(=O)C(Cc1ccccc1)NC(=O)NCCN(CCNC(=O)NC(Cc1ccccc1)C(=O)OC)C(=O)NC(Cc1ccccc1)C(=O)OC MOL39620
-COC(=O)C(NC(=O)N(CCC#N)CCNc1ccccc1)C(C)C MOL39621
-COC(=O)C(Cc1ccccc1)NC(=O)N(CCNCCNC(=O)OC(C)(C)C)c1ccccc1 MOL39622
-N#CCCN(CCCCN(CCC#N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 MOL39623
-COC(=O)C(Cc1ccccc1)NC(=O)N(CCC#N)CCCCN(CCC#N)C(=O)NC(Cc1ccccc1)C(=O)OC MOL39624
-N#CCCN(CCNc1ccccc1)C(=O)Nc1ccc(NC(=O)N(CCC#N)CCNc2ccccc2)cc1 MOL39625
-CCN(CCCN(CC)C(=O)NC(Cc1ccccc1)C(=O)NC)C(=O)NC(Cc1ccccc1)C(=O)NC MOL39626
-COC(=O)C(CCSC)NC(=O)NC(C)c1ccccc1 MOL39627
-COC(=O)C(COC(C)(C)C)NC(=O)NC(C)c1ccccc1 MOL39628
-CCOC(=O)CCC(NC(=O)NC(C)c1ccccc1)C(=O)OCC MOL39629
-CCC(C)C(NC(=O)NC(C)c1ccccc1)C(=O)OC MOL39630
-NCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 MOL39631
-N#CCCNCCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 MOL39632
-NCCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 MOL39633
-CNC(=O)N1CCN(C(=O)NC)CCN(C(=O)NC)CC1 MOL39634
-COC(=O)C(Cc1ccccc1)NC(=O)N1CCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CC1 MOL39635
-COC(=O)C(Cc1ccccc1)NC(=O)N1CCCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CCCN(C(=O)NC(Cc2ccccc2)C(=O)OC)CCC1 MOL39636
-O=C(Nc1ccccc1)N(CCCCN(Cc1ccccc1)C(=O)Nc1ccccc1)Cc1ccccc1 MOL39637
-CCN(CCN(CC)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 MOL39638
-CCN(CCN(CC)C(=O)NC)C(=O)NC MOL39639
-O=C(Nc1ccccc1)N(CCN(Cc1ccccc1)C(=O)Nc1ccccc1)CCN(Nc1ccccc1)C(=O)Nc1ccccc1 MOL39640
-N#CCCN(CCN(CCC#N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 MOL39641
-CCN(CCCN(CC)C(=O)Nc1c(C)cccc1C)C(=O)Nc1c(C)cccc1C MOL39642
-Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 MOL39643
-C#CCNC(Cc1c[nH]cn1)C(=O)O MOL39644
-CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCO MOL39645
-Cc1cn(C2CC3C(COC(CCl)N3O)O2)c(=O)[nH]c1=O MOL39646
-Cc1cn(C2CCN(c3ccccc3)O2)c(=O)[nH]c1=O MOL39647
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CN(OC(=O)Oc3ccccc3)C(=O)Oc3ccccc3)O2)c(=O)[nH]c1=O MOL39648
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CN(O)C(N)=O)O2)c(=O)[nH]c1=O MOL39649
-COCn1c(C(=O)c2ccccc2)c(C)c(=O)[nH]c1=O MOL39650
-C=CCC1C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL39651
-COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL39652
-Cc1cn(C(C)OCCO)c(=O)[nH]c1=O MOL39653
-Cc1cn(COCC(O)C[N+](=O)[O-])c(=O)[nH]c1=O MOL39654
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(=O)O)CS2 MOL39655
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC=[N+]([O-])CC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL39656
-Cc1cn(C2CC(ONC(N)=O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL39657
-Cc1cn(C2CC3C(COC(=O)N3O)O2)c(=O)[nH]c1=O MOL39658
-CC(=O)SCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1O MOL39659
-Cc1c(Cc2ccccc2)n(COCCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O MOL39660
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CC(=N)NO MOL39661
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(N)=O)CS2 MOL39662
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(N)=O)CS2 MOL39663
-CCOC(=O)c1cc(C2(O)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1 MOL39664
-CCOC(=O)c1cc2c3ccn(Cc4ccccc4)c3c3c(C)noc3c2[nH]1 MOL39665
-CCOC(=O)c1cc(-c2ccn(C(C)=O)c2)c(-c2cc(C)co2)[nH]1 MOL39666
-CCOC(=O)c1ccc(C(O)C([Ac])C(=O)OC(C)(C)C)[nH]1 MOL39667
-CCOC(=O)c1ccc(C(=O)n2ccnc2)[nH]1 MOL39668
-COC1(OC)CCN(Cc2ccccc2)C1=O MOL39669
-COC1CCN(N(C)C)O1 MOL39670
-CCOC(=O)c1ccc(C(=O)C(C#N)=C2CCCN2C)[nH]1 MOL39671
-CC(=O)c1cccn1C=C(OC(=O)OC(C)(C)C)c1ccc[nH]1 MOL39672
-CN1CCCC1=C1C(=O)N(c2ccccc2)N=C1c1ccc[nH]1 MOL39673
-CCOC(=O)c1ccc(C(=O)C(C(C)=O)=C2CCCN2C)n1C MOL39674
-CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)n1C MOL39675
-COC(=O)C=C(C)C=CCOC1CCCCO1 MOL39676
-O=C(OC1=CCN(Br)C1=O)C1=C(O)C(=O)N(Br)C1 MOL39677
-CCOC(=O)c1ccc(C(=O)C(C(C)=O)C(=O)OC(C)(C)C)n1C MOL39678
-CCOC(=O)c1cc(C2CCN(c3ccccc3)C2=O)c(C(=O)C=C(C)O)[nH]1 MOL39679
-CCOC(=O)c1cc(C2CCN(c3ccccc3)C2=O)c(C(=O)C=C(C)N)[nH]1 MOL39680
-CCOC(=O)C=C(C=CCOC1CCCCO1)c1ccccc1 MOL39681
-CCCCC(C=CCOC1CCCCO1)=CC(=O)OCC MOL39682
-CC(=O)N1c2ccccc2C(C)C1c1[nH]c2ccccc2c1C MOL39683
-CCOC(=O)c1ccc2c(=O)n3c(C(=O)OCC)ccc3c(=O)n12 MOL39684
-CN1CCCC1=C1C(=O)c2cccn2C1=O MOL39685
-CCOC(=O)c1ccc(C(=O)C(C(=O)OC(C)(C)C)=C2CCCN2C)n1C MOL39686
-CCOC(=O)C(C(=O)c1ccc[nH]1)=C1CCCN1C MOL39687
-CCOC(=O)c1cc(C2=CCNC2=O)c(-c2cc(C)no2)[nH]1 MOL39688
-CCOC(=O)N1CC2(C)C=CC1C(C(=O)OC)C2 MOL39689
-COC(=O)C1CC2(C)C=CC1N(C(=O)OCc1ccccc1)C2 MOL39690
-COC(=O)C1CC2C=CC1N(C(=O)OCc1ccccc1)C2 MOL39691
-CCOC(=O)N1CC2(C(=O)OC)C=CC1C(C(=O)OC)C2 MOL39692
-C=CCN(c1cc(OC)c(NC(C)=O)cc1[N+](=O)[O-])S(C)(=O)=O MOL39693
-C=CCN(c1cc(OC)c2[nH]cc(C)c2c1[N+](=O)[O-])S(C)(=O)=O MOL39694
-C=CCN(c1cc(OC)c2[nH]c(C(=O)O)c(C)c2c1[N+](=O)[O-])S(C)(=O)=O MOL39695
-COc1cc([N+](=O)[O-])cc2c1NC(=O)C2(C)SC MOL39696
-COc1cc2[nH]c(=O)[nH]c2c2c(C)c[nH]c12 MOL39697
-CCOC(=O)Nc1cc(NC(C=NNC(C)=O)C(=O)OCC)c(OC)cc1NC(C)=O MOL39698
-COc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1 MOL39699
-Cn1c(C(O)C2(c3cccnc3)SCCCS2)cc2ccccc21 MOL39700
-Cn1c2c(c3ccccc31)CC(=O)N1CCCC(C1)CC21OCCO1 MOL39701
-COc1ccc2[nH]c3c(c2c1)CC(=O)N1CCCC(C1)CC31OCCCO1 MOL39702
-COc1ccc2[nH]c3c(c2c1)CC(=S)N1CCCC(CC3=O)C1 MOL39703
-O=C1Cc2c([nH]c3ccccc23)C2(CC3CCCCN13)OCCO2 MOL39704
-Cn1c2c(c3ccccc31)CC(=O)N1CCCCC1C21OCCO1 MOL39705
-S=C(NCCc1ccccn1)c1nc[nH]c1C(=S)NCCc1ccccn1 MOL39706
-O=C(NNC(=O)c1ccccc1O)c1ccc(O)cc1 MOL39707
-CC(=O)Oc1ccc(C=CC(=O)OCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O MOL39708
-O=C(NNC(=O)c1ccccc1O)c1cccc(Br)c1 MOL39709
-O=C(NNC(=O)c1ccco1)c1ccco1 MOL39710
-O=C(NNC(=O)c1ccccc1O)c1ccco1 MOL39711
-O=C(NNC(=O)c1ccccc1O)c1cccs1 MOL39712
-O=C(NNC(=O)c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 MOL39713
-O=C(NNC(=O)c1ccccc1Cl)c1ccccc1O MOL39714
-Oc1ccccc1C=NN=Cc1ccccc1O MOL39715
-O=C(NNC(=O)c1ccccc1Cl)c1ccccc1Cl MOL39716
-O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 MOL39717
-S=C(Nc1ccccn1)Nc1ccccc1Cl MOL39718
-COc1ccccc1NC(=S)Nc1ccccn1 MOL39719
-S=C(Nc1cccc(Cl)c1)Nc1ccccn1 MOL39720
-Cc1cccc(NC(=S)Nc2ccccc2Cl)n1 MOL39721
-COc1ccccc1NC(=S)Nc1cccc(C)n1 MOL39722
-Cc1cccc(NC(=S)Nc2cccc(Cl)c2)n1 MOL39723
-Cc1ccnc(NC(=S)Nc2ccccc2Cl)c1 MOL39724
-COc1ccccc1NC(=S)Nc1cc(C)ccn1 MOL39725
-Cc1ccnc(NC(=S)Nc2cccc(Cl)c2)c1 MOL39726
-Cc1cc(C)nc(NC(=S)Nc2ccccc2Cl)c1 MOL39727
-COc1ccccc1NC(=S)Nc1cc(C)cc(C)n1 MOL39728
-Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2)c1 MOL39729
-Cc1cc(C)nc(NC(=S)Nc2ccc(Cl)cc2)c1 MOL39730
-COc1ccc(NC(=S)Nc2cc(C)cc(C)n2)cc1 MOL39731
-Cc1c(C=NNC(=S)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C MOL39732
-Cc1c(C=NNC(=S)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C MOL39733
-Cc1c(NC(=S)NN)c(=O)n(-c2ccccc2)n1C MOL39734
-CC(=O)OCCCCN1C(=O)CSc2ccccc21 MOL39735
-O=C1COc2cccnc2N1CCCCO MOL39736
-Cc1c2cccc-2c(OCCO)cc2c1[nH]c1ccccc12 MOL39737
-COc1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1 MOL39738
-O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 MOL39739
-COc1ccc(C=CC(=O)c2nc3ccccc3n2C)cc1 MOL39740
-Cn1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc21 MOL39741
-CC12c3c4cccc3Oc3cc(N)cc(c31)Oc1cc(N)cc(c12)O4 MOL39742
-Nc1cc2c3c(c1)Oc1cc(N)cc4c1C3c1c(cc(N)cc1O4)O2 MOL39743
-CC12c3c4ccc(C=O)c3Oc3ccc(C=O)c(c31)Oc1ccc(C=O)c(c12)O4 MOL39744
-CC12c3c4ccc(C=O)c3Oc3ccc(C=O)c(c31)Oc1c(C=O)ccc(c12)O4 MOL39745
-NC12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4 MOL39746
-Cc1ccc(S(=O)(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cc3c4c(c2)Oc2cc(N(CCN5C(=O)c6ccccc6C5=O)S(=O)(=O)c5ccc(C)cc5)cc5c2C4(C)c2c(cc(N(CCN4C(=O)c6ccccc6C4=O)S(=O)(=O)c4ccc(C)cc4)cc2O5)O3)cc1 MOL39747
-Cc1ccc(S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c2cc3c4c(c2)Oc2cccc5c2C4(C)c2c(cccc2O3)O5)cc1 MOL39748
-Cc1ccc(S(=O)(=O)N(CCN)c2cc3c4c(c2)Oc2cccc5c2C4c2c(cccc2O3)O5)cc1 MOL39749
-COC(=O)C(=O)Nc1cc2c3c(c1)Oc1cccc4c1C3(C)c1c(cccc1O2)O4 MOL39750
-CC12c3c4cc(Br)cc3Oc3cc(Br)cc(c31)Oc1cc(Br)cc(c12)O4 MOL39751
-COC(=O)c1cc2c3c(c1)Oc1cc(C(=O)OC)cc4c1C3c1c(cc(C(=O)OC)cc1O4)O2 MOL39752
-CC12c3c4cc(NC(=O)C(=O)NCc5ccc(-c6ccccn6)nc5)cc3Oc3cc(NC(=O)C(=O)NCc5ccc(-c6ccccn6)nc5)cc(c31)OC1C=C(NC(=O)C(=O)NCc3ccc(-c5ccccn5)nc3)C=C(O4)C12 MOL39753
-C=C(C)COC(=O)COCC(=O)OCC(=C)C MOL39754
-CON(C)C(=O)C1CC1(C)CO MOL39755
-CC(NC(=O)C1CC1(C)CO)c1cccc2ccccc12 MOL39756
-CC(NC(=O)C1CC1(C)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12 MOL39757
-CC1=CCC(CC(C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)CC1 MOL39758
-CCOC(=O)C(O)C(NC(=O)OC(C)(C)C)C(=O)OCC MOL39759
-C=CC1OC(CCCOC(=O)C(C)(C)C)OC1CC MOL39760
-C=CC(OCOCC[Si](C)(C)C)C(CC)OC(CCCOC(=O)C(C)(C)C)OC MOL39761
-C=CCC1C2CCC(O[Si](C(C)C)(C(C)C)C(C)C)(C(C(=O)OC)C2)C1O MOL39762
-CC(C)[Si](OC12CCC(CC1O)CC2C(=O)O)(C(C)C)C(C)C MOL39763
-CC(C)[Si](OC12CCC(CC1O)CC2CO)(C(C)C)C(C)C MOL39764
-O=C(OCC1CC2C(=O)CCCC2O1)c1ccccc1 MOL39765
-CON(C)C(=O)C1CCCO1 MOL39766
-O=C1CCCC2OC(COC(=O)c3ccccc3)CC2O1 MOL39767
-O=C1C=CCC2OC(COC(=O)Cc3ccccc3)CC2O1 MOL39768
-COCOCC1CCCN1CN1CCCC1COCOC MOL39769
-O=C(OCC1CC2C(=O)OCCCC2O1)c1ccccc1 MOL39770
-O=C1CCCC2OC(COCc3ccccc3)CC12 MOL39771
-O=C1OCCCC2OC(COCc3ccccc3)CC12 MOL39772
-C=CCC1C(=O)C2(O[Si](C(C)C)(C(C)C)C(C)C)CCC1CC2NC(=O)OCC(Cl)(Cl)Cl MOL39773
-COC(=O)NC1CC2CCC1(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)C2 MOL39774
-C=C(CCOC)CCC1CCCCC(=C)C1O MOL39775
-C=C(CCOC)CCC1CCCCC(=C)C1OC(C)=O MOL39776
-C=CCCC1CCCCCC1=NN(C)C MOL39777
-C=C(C)CCC1CCCCC(CN(C)C)C1=O MOL39778
-O=C1C[N+]23CC(=O)[OH+][Zr]2456([OH+]1)([OH+]C(=O)C3)[OH+]C(=O)C[N+]4(CC(=O)[OH+]5)CC(=O)[OH+]6.[K+] MOL39779
-[Cl-].c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Co-4]412([n+]3cccc4ccc5ccc[n+]1c5c43)[n+]1cccc3ccc4ccc[n+]2c4c31 MOL39780
-C1CN[Co-4]23(N1)(NCCN2)NCCN3.O=C([O-])C(O)C(O)C(=O)[O-].[Cl-] MOL39781
-CCOC(=O)c1c(C)nc2c3ccccc3c(C#N)c(C)n12 MOL39782
-Cc1c(C#N)c2ccccc2c2nc3ccccc3n12 MOL39783
-CC(=S)NC1C(Oc2ccc3c(C)cc(=O)oc3c2)OC(CO)C(O)C1O MOL39784
-OC1OC(c2ccco2)C(F)(F)C(F)(F)C1(F)F MOL39785
-OC1OC(c2ccc[nH]2)C(F)(F)C(F)(F)C1(F)F MOL39786
-N#Cc1cc(Sc2ccc(N)c(C#N)c2)ccc1N MOL39787
-O=C(O)c1cc(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-] MOL39788
-Nc1ncnc2ccc(Sc3ccc4ncnc(N)c4c3)cc12 MOL39789
-Nc1nc(N)c2cc(Sc3ccc4nc(N)nc(N)c4c3)ccc2n1 MOL39790
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 MOL39791
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 MOL39792
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 MOL39793
-COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)cc1 MOL39794
-COc1ccc(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(OC)c1 MOL39795
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1 MOL39796
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(NC(=O)c3ccncc3)C2=O)cc1 MOL39797
-Cc1c(N2C(=O)C(=Cc3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(=O)n(-c2ccccc2)n1C MOL39798
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(c3ccccn3)C2=O)cc1 MOL39799
-N#CCCN(CCC#N)c1ccc(C=C2N=C(c3ccccc3)N(NC(N)=S)C2=O)cc1 MOL39800
-CCOC(=O)c1nc2ccccc2nc1Oc1cc(OC)cc(OC)c1 MOL39801
-CCOC(=O)c1nc2ccccc2nc1Oc1ccc(OC)cc1 MOL39802
-CCOC(=O)c1nc2ccccc2nc1Oc1ccc(F)cc1 MOL39803
-CCOC(=O)c1nc2ccccc2nc1Oc1ccc(C#N)cc1 MOL39804
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1cc(OC)c(OC)c(OC)c1 MOL39805
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1cc(OC)cc(OC)c1 MOL39806
-CCOC(=O)c1nc2ccccc2nc1Oc1ccc(C(=O)OC)cc1 MOL39807
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(OC)cc1 MOL39808
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(F)cc1 MOL39809
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(C#N)cc1 MOL39810
-CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Oc1ccc(C(=O)OC)cc1 MOL39811
-COc1ccc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc1 MOL39812
-COc1cc(OC)cc(Oc2nc3c(N)cc(C(F)(F)F)cc3nc2-c2ccccc2)c1 MOL39813
-Cc1cccc(NC(=S)Nc2ccc(Cl)cc2)n1 MOL39814
-COc1ccc(NC(=S)Nc2cccc(C)n2)cc1 MOL39815
-COc1ccc(NC(=S)Nc2cc(C)ccn2)cc1 MOL39816
-Cc1cc(C)nc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 MOL39817
-O=[N+]([O-])c1ccc(NC(=S)Nc2ccccn2)cc1 MOL39818
-Cc1c(C=NNC(=S)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C MOL39819
-Cc1c(C=NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C MOL39820
-COc1ccc(NC(=S)NN=Cc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 MOL39821
-Cc1c(C=NNC(=S)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C MOL39822
-COc1ccccc1NC(=S)NN=Cc1c(C)n(C)n(-c2ccccc2)c1=O MOL39823
-Cc1cccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 MOL39824
-Cc1ccnc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 MOL39825
-Brc1c(C#CCC2CCCCC2)ccc(C#CCC2CCCCC2)c1Br MOL39826
-Brc1c(C#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc(C#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br MOL39827
-CC(C)(O)c1cc2c(cc1C(C)(C)O)-c1ccccc1-2 MOL39828
-C[Si](C)(C)C1=C2C(=O)c3ccccc3C(=O)C2=C([Si](C)(C)C)C2CCCCC12 MOL39829
-CC(=O)OCC1OC(N2C(=O)NC(=O)C3C=C4CCCCC4=CC32)C(OC(C)=O)C1OC(C)=O MOL39830
-COCC1OC(N2C(=O)NC(=O)C3C=C4CCCCC4=CC32)C(OC)C1OC MOL39831
-CC(=O)OCC1OC(N2C(=O)NC(=O)C3C=C4CCCCC4=CC32)CC1OC(C)=O MOL39832
-COC(=O)c1c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c1C(=O)OC MOL39833
-CC(=O)NCCC1CNc2ccccc21 MOL39834
-CC(=O)NCCC1CN(C(=O)C=CI)c2ccccc21 MOL39835
-CC(=O)NCCC1CN(C(=O)C=CC#C[Si](C)(C)C)c2ccccc21 MOL39836
-CCN(CC)CCOC(=O)c1cc2ccccc2[nH]1.Cl MOL39837
-Cl.O=C(OCCN1CCCC1)c1cc2ccccc2[nH]1 MOL39838
-Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2[nH]1 MOL39839
-Cl.O=C(OCCN1CCNCC1)c1cc2ccccc2[nH]1 MOL39840
-CCN(CC)CCOC(=O)c1cc2ccccc2n1Cc1ccccc1.Cl MOL39841
-Cl.O=C(OCCN1CCCC1)c1cc2ccccc2n1Cc1ccccc1 MOL39842
-Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2n1Cc1ccccc1 MOL39843
-CCN(CC)CCOC(=O)c1cc2ccccc2n1-c1ccccc1.Cl MOL39844
-Cl.O=C(OCCN1CCCC1)c1cc2ccccc2n1-c1ccccc1 MOL39845
-Cl.O=C(OCCN1CCCCC1)c1cc2ccccc2n1-c1ccccc1 MOL39846
-CC(CN(C)C)OC(=O)c1cc2ccccc2[nH]1.Cl MOL39847
-CC(CN(C)C)OC(=O)c1cc2ccccc2n1Cc1ccccc1.Cl MOL39848
-CC(CN(C)C)OC(=O)c1cc2ccccc2n1-c1ccccc1.Cl MOL39849
-BC#N.Cc1cn(CCCN(C)C)c(=O)[nH]c1=O MOL39850
-BC#N.CN(C)CCCn1ccc(=O)[nH]c1=O MOL39851
-Cn1cc(B(O)O)c(=O)[nH]c1=O MOL39852
-O=c1[nH]c(=O)n(Cc2ccccc2)cc1B(O)O MOL39853
-COc1nc(=O)n(C)cc1B(O)O MOL39854
-Cc1sc(C)c2c1C(=O)CC2N.Cl MOL39855
-Cl.NC1CC(=O)c2cc(Cl)sc21 MOL39856
-COC(=O)c1cc(C(=CCCN)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC.Cl MOL39857
-COC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL39858
-CC1=COC2OC3(C)CCC4C(C)CCC1C24OO3 MOL39859
-CC1CCC2C(C)C(O)OC3OC4(C)CCC1C32O4 MOL39860
-CC1=COC2OC3(C)CCC4C(C)CCC1C24O3 MOL39861
-C=C1C(O)OC2OC3(C)CCC4C(C)CCC1C24O3 MOL39862
-C=C1C(OO)OC2OC3(C)CCC4C(C)CCC1C24O3 MOL39863
-CC(=O)C1CCC(C)C2CCC3(C)OOC12C(OC=O)O3 MOL39864
-C=C1C(O)OC2OC3(C)CCC4C(C)CCC1C24OO3 MOL39865
-C=C1C(OC)OC2OC3(C)CCC4C(C)CCC1C24O3 MOL39866
-COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC MOL39867
-Cc1cccc2c(N)c3cccc(C(=O)NCC[N+]4(Cc5ccc([N+](=O)[O-])cc5)CCOCC4)c3nc12.Cl.[Cl-] MOL39868
-COCC[N+](CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)(CCOC)Cc1ccc([N+](=O)[O-])cc1.Cl.[Cl-] MOL39869
-COc1ccc2[nH]c(S(=O)(=O)N3CC(CCl)c4ccc(N)cc43)cc2c1 MOL39870
-COc1ccc2[nH]c(C(=O)N3CC(CCl)c4ccc(N)cc43)cc2c1 MOL39871
-COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(NC(=O)C(C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC.Cl MOL39872
-COc1cc2cc(C(=O)N3CC(CCl)c4ccc(N5CCN[Cr]567([O+]=C(C)[CH-]C(C)=[O+]6)[O+]=C(C)[CH-]C(C)=[O+]7)cc43)[nH]c2c(OC)c1OC.[O-][Cl+3]([O-])([O-])[O-] MOL39873
-O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12 MOL39874
-CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O MOL39875
-COc1ccc(-n2c(SC(CN3CCOCC3)CN3CCCC3=O)nc3ccccc3c2=O)cc1.Cl MOL39876
-Nc1nnc(-c2ccco2)c(-c2ccco2)n1 MOL39877
-Sc1ncc(-c2cncc(-c3cnc(S)nc3)n2)cn1 MOL39878
-C1OCN2c3nonc3N3COCN4c5nonc5N1C2C43 MOL39879
-CN(C)c1c(C2OC(CO)C(O)C2O)c(=O)c1=O MOL39880
-CN(C)c1c(C2CC(O)C(CO)O2)c(=O)c1=O MOL39881
-OCC1OC(c2cccc3cc(O)c(O)cc23)CC1O MOL39882
-Cn1cc2c(=O)n3ncn(-c4ccc(Br)cc4)c3nc2n1 MOL39883
-CCOC(=O)C(C#N)=CN(CC)N=Cc1ccccc1 MOL39884
-CCOC(=O)C1(C(=O)OCC)C=C(c2ccccc2)N(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1=S MOL39885
-CCOC(=O)C(C(=O)OCC)C(=S)NC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL39886
-COc1cc(OC)c2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1 MOL39887
-COc1ccc2c(O)c(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1OC MOL39888
-Cc1ccc(S(=O)(=O)c2c(O)c3ccc(O)c(C)c3oc2=O)cc1 MOL39889
-Cc1ccc(S(=O)(=O)c2c(O)c3ccccc3n(C)c2=O)cc1 MOL39890
-Cc1cc(C)c2c(O)c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)oc2c1 MOL39891
-O=C1CC(=O)n2cnc3cccc(c32)N1 MOL39892
-CCCC1C(=O)Nc2cccc3ncn(c23)C1=O MOL39893
-C=CCC1C(=O)Nc2cccc3ncn(c23)C1=O MOL39894
-CCOC(=O)CC(=O)Nc1cccc2nc[nH]c12 MOL39895
-CCCC(C(=O)Nc1cccc2nc[nH]c12)C(=O)OCC MOL39896
-C=CCC(C(=O)Nc1cccc2nc[nH]c12)C(=O)OCC MOL39897
-C1=NCCNCCNCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 MOL39898
-C1=NCCNCCN=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 MOL39899
-C1=Nc2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 MOL39900
-C1=Nc2ccc(cc2)-c2ccc(cc2)N=Cc2ccc(cc2)OCc2cccc(n2)COc2ccc1cc2 MOL39901
-C1=NCCNCCNCCN=Cc2ccccc2OCc2cccc(n2)COc2ccccc21 MOL39902
-CCCCCCCCC[n+]1cccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)c1.[Br-] MOL39903
-CC1=C(C(=O)OC23CC4CC(CC(C4)C2)C3)C(c2ccccc2OC(F)F)C(C(=O)OC23CC4CC(CC(C4)C2)C3)=C(C)N1 MOL39904
-Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)OC12CC3CC(CC(C3)C1)C2 MOL39905
-Cc1[nH]c(-c2ccccc2)c(O)c1C(=O)OC1CC(C)CCC1C(C)C MOL39906
-CCC12CC(c3ccccc3)C(C(=O)N1)C(=O)N2 MOL39907
-CC1=C(C(N)=O)C(c2ccncc2)C(C#N)=C2SCC(=O)N12 MOL39908
-COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1c[nH]nc1-c1ccccc1 MOL39909
-CCC(c1nc2ccccc2c(=O)n1NC(=O)C(C)(C)C)C1(O)CCCCC1 MOL39910
-O=c1n(CCCN2CCOCC2)nc2n1-c1ccc3ccccc3c1SC2 MOL39911
-O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2n1-c1ccc3ccccc3c1SC2 MOL39912
-OCc1cc2c(ccc3sc4ccc5sc6ccc7ncccc7c6c5c4c32)s1 MOL39913
-O=S1OCC(CCCl)O1 MOL39914
-N=c1ccn(C2CC(O)C(COP(=O)(S)OC3CC(n4ccc(=N)[nH]c4=O)OC3CO)O2)c(=O)[nH]1 MOL39915
-c1ccc(CSP234N5CCN2CCN3CCN4CC5)c(CSP234N5CCN2CCN3CCN4CC5)c1 MOL39916
-c1cc(CSP234N5CCN2CCN3CCN4CC5)cc(CSP234N5CCN2CCN3CCN4CC5)c1 MOL39917
-c1cc(CSP234N5CCN2CCN3CCN4CC5)ccc1CSP123N4CCN1CCN2CCN3CC4 MOL39918
-NS(=O)(=O)c1nnc(N=C(CCC(=O)O)C(=O)O)s1 MOL39919
-Clc1ccc(C(Cc2ccccc2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1 MOL39920
-Clc1ccc(C(Cc2cccc(Cl)c2)c2c(Cl)nc(N3CCNCC3)nc2Cl)cc1 MOL39921
-CCOC(=O)C1(N)CCc2[nH][nH]c(=O)c2C1 MOL39922
-CCOC(=O)C1(NC(=O)OC(C)(C)C)CCc2[nH]oc(=O)c2C1 MOL39923
-COc1ccc(C2=NOC(N)(c3ccc(OC)cc3)C2)cc1 MOL39924
-CCN(CC)P1(=S)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1 MOL39925
-CCOC(=O)CCN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O MOL39926
-O=C(O)CCC(=O)Nc1ccc2c(c1)S(=O)(=O)N(CC(=O)O)C2=O MOL39927
-CCOC(=O)N1c2c(c3ccccc3n2C(=O)OCC)C(=O)C(OC)N1C(=O)OCC MOL39928
-CCOC(=O)n1c2ccccc2c2c(O)c(OC)c3c(c21)C(=O)NC3=O MOL39929
-Cl.Nc1nc(Cl)c(N)c(NCC2(CO)CC(CCCc3ccccc3)C2)n1 MOL39930
-C=C(C)C1CCC2(C)CCC3(C)C(C)(CCC4C5(C)CCC(OC(=O)CCC(=O)O)C(C)(C)C5CCC43C)C12 MOL39931
-O=C(CCCCC1CCSS1)N(C(=O)NC1CCCCC1)C1CCCCC1 MOL39932
-NC(=O)CNC(=O)CCCCC1CCSS1 MOL39933
-Nc1ncnc2c1ncn2C1COC(CO)C1CO MOL39934
-Cc1cn(C2COC(CO)C2CO)c(=O)[nH]c1=O MOL39935
-Nc1ncnc2c1ncn2C1CCC(CO)OC1 MOL39936
-Nc1nc(O)c2ncn(C3CCC(CO)OC3)c2n1 MOL39937
-COc1ccc(-c2c(-c3ccccc3)c(C)c3ccccn23)cc1 MOL39938
-CC(CC=CC(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C MOL39939
-C#CC=CCCCCC=CC#CC#CCCCC#CC#CC(COS(=O)(=O)O)OS(=O)(=O)O.[NaH] MOL39940
-COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)CC2(O)C=CCC2)cc1 MOL39941
-CC(C)c1nc2c(Cl)c3ncccc3cc2nc1O MOL39942
-Oc1nc2cc(C(F)(F)F)ccc2nc1CBr MOL39943
-CCOC(=O)C(C)c1nc2cc(N3CCN(C)CC3)c(F)cc2nc1O MOL39944
-COC(=O)C1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1 MOL39945
-COc1cc(C(c2cc(OC)c(OC)c(OC)c2)N2C(=O)CCC2C(=O)O)cc(OC)c1OC MOL39946
-COC(=O)C1CCC(=O)N1C(c1cc(OC)c(OC)c(OC)c1)c1cccc2ccccc12 MOL39947
-COc1cc(C(c2cccc3ccccc23)N2C(=O)CCC2C(=O)O)cc(OC)c1OC MOL39948
-COc1cc(C(c2cccc3ccccc23)N2C(=O)CCC2C(=O)NCc2ccccc2)cc(OC)c1OC MOL39949
-COc1cc(C2C3C=CC=C4CC=CC(=C43)C3CCC(=O)N32)cc(OC)c1OC MOL39950
-COc1cc(C2c3c(ccc4ccccc34)C(=O)C3CCC(=O)N32)cc(OC)c1OC MOL39951
-COc1cc2c(c(O)c1OC)C(=O)C1CCC(=O)N1C2c1cccc2ccccc12 MOL39952
-COc1cc(C2c3cccc4cccc(c34)C3CCC(=O)N32)cc(OC)c1O MOL39953
-COc1cc(C2c3c(ccc4ccccc34)C(=O)C3CCC(=O)N32)cc(OC)c1O MOL39954
-COc1cc(C2c3cc4c(cc3C(=O)C3CCC(=O)N32)OCO4)cc(OC)c1O MOL39955
-COc1cc(C2c3cccc4cccc(c34)C3CCC(=O)N32)cc(O)c1O MOL39956
-COc1cc2c(c(O)c1O)C(=O)C1CCC(=O)N1C2c1cccc2ccccc12 MOL39957
-C[Si](C)(C)OC1c2[nH]c3ccccc3c2CN2C(=O)CCC12 MOL39958
-COc1cc(C2c3cc(OC)c(OC)c(O)c3C(=O)C3CCC(=O)N32)cc(OC)c1OC MOL39959
-COc1cc2c(c(O)c1OC)C(O)C1CCC(=O)N1C2c1cccc2ccccc12 MOL39960
-COc1cc2c(c(O)c1OC)CC1CCC(=O)N1C2c1cccc2ccccc12 MOL39961
-CC(=O)O.Nc1nc(N)c(C2=CCNCC2)c(O)n1 MOL39962
-CC(=O)O.CN1CC=C(c2c(N)nc(N)nc2O)CC1 MOL39963
-CC(=O)O.Nc1nc(N)c(C2=CCN(Cc3ccccc3)CC2)c(O)n1 MOL39964
-CCOC(=O)c1cc(Sc2ccc(N)c(C(=O)OCC)c2)ccc1N MOL39965
-Sc1nc(S)c2cc(Sc3ccc4nc(S)nc(S)c4c3)ccc2n1 MOL39966
-Nc1nc(O)c2cc(Sc3ccc4nc(N)nc(O)c4c3)ccc2n1 MOL39967
-COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1.Cl MOL39968
-COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNC(=O)NCCCN(C)CCCNc5nccc6c(C)c7[nH]c8ccc(OC)cc8c7c(C)c56)c4c(C)c3c2c1.O=C(O)C(F)(F)F MOL39969
-COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6nnn7c8ccccc8c(=O)c5c67)c4c(C)c3c2c1.CS(=O)(=O)O MOL39970
-COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)c4c(C)c3c2c1.CS(=O)(=O)O MOL39971
-COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc6ncn7c8ccccc8c(=O)c5c67)c4c(C)c3c2c1.CS(=O)(=O)O MOL39972
-COc1ccc2nc3cc(Cl)ccc3c(NCCCN(C)CCCNc3ccc4ncn5c6ccccc6c(=O)c3c45)c2c1.Cl MOL39973
-Cl.NCCCN1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1 MOL39974
-CN(CCCNc1ccc2ncn3c4ccccc4c(=O)c1c23)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O.CS(=O)(=O)O MOL39975
-CS(=O)(=O)O.O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN1CCN(CCCNc2ccc3ncn4c5ccccc5c(=O)c2c34)CC1 MOL39976
-CS(=O)(=O)O.O=c1c2ccccc2n2nnc3ccc(NCCCNCCNCCCNc4ccc5nnn6c7ccccc7c(=O)c4c56)c1c32 MOL39977
-Cl.NCCCN1CCN(CCCNc2ccc3nnn4c5ccccc5c(=O)c2c34)CC1 MOL39978
-COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCN(CCCNc4ccc5nnn6c7ccccc7c(=O)c4c56)CC3)c2c1.CS(=O)(=O)O MOL39979
-COC(=O)c1cc(C(=CC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL39980
-CCOC(=O)c1cccc([N+](=O)[O-])c1N MOL39981
-O=C(O)c1cccc(Nc2c(C(=O)O)cccc2[N+](=O)[O-])c1 MOL39982
-CC(=O)Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1 MOL39983
-O=C(Nc1sccc1S(=O)(=O)c1ccccc1)c1cccnc1 MOL39984
-COC(=O)CC(=O)Nc1sccc1S(=O)(=O)c1ccccc1 MOL39985
-CC(=O)Nc1sc(Br)cc1S(=O)(=O)c1ccc(Cl)cc1 MOL39986
-CC(=O)Nc1sc([N+](=O)[O-])cc1S(=O)(=O)c1ccc(Cl)cc1 MOL39987
-Cc1c(S(=O)(=O)c2ccccc2)c(N)n(Cc2ccccc2)c1C MOL39988
-Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CCN(C)C)c1C MOL39989
-CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1Cc1ccccc1 MOL39990
-CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCN(C)C MOL39991
-Cc1sc(N)c(S(=O)(=O)c2ccccc2)c1C MOL39992
-Cc1oc(N)c(S(=O)(=O)c2ccc(Cl)cc2)c1C MOL39993
-CC(=O)Nc1oc(C)c(C)c1S(=O)(=O)c1ccc(Cl)cc1 MOL39994
-COc1cc2cc(C(=O)N3CC(CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC.O=S(=O)([O-])C(F)(F)F MOL39995
-C=C(C)C(=O)CCC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CC(O)C4C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C MOL39996
-CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(=O)C3=C3OC(=O)C=C1C32 MOL39997
-CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(O)C3=C3OC(=O)C=C1C32 MOL39998
-CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(OC(C)=O)C3=C3OC(=O)C=C1C32 MOL39999
-CCC1OC2C(CC=C(C)C)=C3OC(C)(O)C(C)(CC)C(OC(=O)c4ccccc4)C3=C3OC(=O)C=C1C32 MOL40000
-O=C(O)CCC(NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O MOL40001
-COc1cc(OC)cc(Oc2nc3ccccc3nc2C(=O)O)c1 MOL40002
-COc1cc(Oc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC MOL40003
-N#Cc1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1 MOL40004
-CCOC(=O)CCC(NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)s1)C(=O)OCC MOL40005
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Nc1ccc(C(=O)OC)s1 MOL40006
-COC(=O)c1cc(C(=CC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL40007
-C#CCNC(Cc1ccccc1)C(=O)O MOL40008
-C#CCNC(CS)C(=O)O MOL40009
-C#CCNC(CCCNC(=N)N)C(=O)O MOL40010
-CN1CCN(c2ccc3c(c2)NCC(=O)N3)CC1 MOL40011
-O=C1CNc2cc(N3CCOCC3)ccc2N1 MOL40012
-O=C1CNc2cc(N3CCN(c4ccccc4)CC3)ccc2N1 MOL40013
-CC(=O)OCC1OC(OCCCCCCO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL40014
-CC(=O)OCC1OC(OCCCOP(=S)(OCCC#N)OCC2OC(n3ccc(=N)[nH]c3=O)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL40015
-CC(=O)OCC1OC(OCCCOP(=O)(OCCC#N)OCC2OC(n3cnc4c(N)ncnc43)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL40016
-COC(OC)C1OCC(n2cnc3c(N)ncnc32)C1O MOL40017
-COC(OC)C1OCC(n2ccc(=O)[nH]c2=O)C1O MOL40018
-COC(OC)C1OCC(O)C1n1cnc2c(N)ncnc21 MOL40019
-OCC1OCC(n2cnc3c(O)ncnc32)C1O MOL40020
-N=c1ccn(C2COC(CO)C2O)c(=O)[nH]1 MOL40021
-COC(OC)C(O)C1OC=CC1n1cnc2c(N)ncnc21 MOL40022
-COC(OC)C1OC(CO)C(n2cc(F)c(=O)[nH]c2=O)C1O MOL40023
-COC(OC)C1OC(CO)C(n2ccc(=N)[nH]c2=O)C1O MOL40024
-COC(OC)C1OCC(n2cc(F)c(=O)[nH]c2=O)C1O MOL40025
-O=c1[nH]c(=O)n(C2COC(CO)C2O)cc1F MOL40026
-NC(=O)c1csc(C2(O)COC(CO)C2O)n1 MOL40027
-O=C1C(F)=CC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC1n1cc(F)c(=O)[nH]c1=O MOL40028
-COc1ncc(C#CC(=O)c2ccccc2)c(OC)n1 MOL40029
-COc1ccc(C(=O)C#Cc2cnc(OC)nc2OC)cc1 MOL40030
-COc1cccc(C(=O)C#Cc2cnc(OC)nc2OC)c1 MOL40031
-COc1ncc(C#CC(=O)c2ccccc2OC)c(OC)n1 MOL40032
-CC1(Cl)CC(C)(Br)C(C=CCl)CC1Br MOL40033
-CN(C)C(=N)NC(=N)Nc1cccc(Cl)c1.Cl MOL40034
-CC1(C)OC(C(O)CO)C(C2NCCS2)O1 MOL40035
-OC1CN2CCSC2C(O)C1O MOL40036
-OCC1C(O)C(O)C2SCCN12 MOL40037
-CC1(C)OC2C(O)CN3CCSC3C2O1 MOL40038
-COc1ccc2c(c1)CC1Cc3cc(OC)c(OC)cc3CN1CC2 MOL40039
-COc1ccc(CC2Cc3ccccc3CCN2)cc1OC.Cl MOL40040
-COC(=O)C(NC(=O)OCc1ccccc1)(C(C)S(=O)c1ccc(C)cc1)C(F)(F)F MOL40041
-Cc1ccc(S(=O)CC(NC(=O)OCc2ccccc2)(Sc2ccccc2)C(F)F)cc1 MOL40042
-Cc1ccc(S(=O)CC2(C(F)F)NC(=O)NC2=O)cc1 MOL40043
-Cc1ccc(SCC2(C(F)F)NC(=O)NC2=O)cc1 MOL40044
-N#CC(CO)(NC(=O)OCc1ccccc1)C(F)F MOL40045
-COC(=O)C(NC(=O)OCc1ccccc1)(C(C)O)C(F)(F)F MOL40046
-Cc1ccc(SC(C=O)(NC(=O)OCc2ccccc2)C(F)(F)F)cc1 MOL40047
-CCCCCCCCCCCCCCCC(=O)OC(COC(C)=O)CO[PH](=O)O MOL40048
-CCCCCCCCCCCCCCCCCCOCC(CO[PH](=O)O)OCCCCCCCCCCCCCCCCCC MOL40049
-CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCSSc1ccccn1)OC(=O)CCCCCCCCCCCCCCC MOL40050
-NC(CCCCNc1ccn(C2OC(CO)C(O)C2O)c(=O)n1)C(=O)O.[NaH] MOL40051
-COC(=O)C=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL40052
-COC(=O)C(CCCNC(=N)N)NC(=O)CCCCCCCCCCNC(=O)c1cc(CNC2=NCCN2)cc(CNC2=NCCN2)c1.Cl MOL40053
-Cc1c2ccc(Cl)cc2nc2ccc(OCCCCCCNC(=O)CCCNC(=N)N)cc12.Cl MOL40054
-Cc1c2ccc(Cl)cc2nc2ccc(OCCCCCCNC(=O)C(N)CCCNC(=N)N)cc12.Cl MOL40055
-Cc1c2ccc(Cl)cc2nc2ccc(OCCNC(=O)C(N)CCCNC(=N)N)cc12.Cl MOL40056
-Cc1c2ccc(Cl)cc2nc2ccc(OCCNC(=O)C(CCCNC(=N)N)NC(=O)OC(C)(C)C)cc12.Cl MOL40057
-O=C(CCCNc1nc(-c2ccccc2)cs1)c1cccs1 MOL40058
-O=C(O)C(F)(F)F.c1cc(CN2CCNCCNCCNCC2)cc(CN2CCNCCNCCNCC2)c1 MOL40059
-c1cc2cc(c1)CN1CCNCCN(CCNCC1)Cc1cccc(c1)CN1CCNCCN(CCNCC1)C2 MOL40060
-COP1(=O)OCc2cnccc2O1 MOL40061
-COC(=O)C=Cc1cnc2c(c1)oc(=O)n2C MOL40062
-COC(=O)C=Cc1cnc2c(c1)oc(=O)n2CCc1ccccn1 MOL40063
-CSc1csc(-c2ccc(-c3ccc(-c4cc(SC)cs4)s3)s2)c1 MOL40064
-CSc1scc2c1C(=NNC(N)=O)CCC2 MOL40065
-COC(=O)CN1SC2(SC13C(C)(C)C(=O)C3(C)C)C(C)(C)C(=O)C2(C)C MOL40066
-CC1(C)C(=O)C(C)(C)C12SSC1(S2)C(C)(C)C(=O)C1(C)C MOL40067
-Nc1nc(O)c2c(n1)NC(=O)CC2c1ccccc1 MOL40068
-CC1Cc2c(Br)nc(N)nc2NC1=O MOL40069
-COC(=O)C12CCC(C(=O)OC)(Cc3c(c4ccccc4n3S(=O)(=O)c3ccccc3)C1)C2=O MOL40070
-CC(C)[Si]1(C(C)C)OCC2OC3(CO)C(Oc4nc(=O)ccn43)C2O[Si](C(C)C)(C(C)C)O1 MOL40071
-COc1ccc2c(=O)c3ccoc3[nH]c2c1 MOL40072
-COc1ccc2c(=O)c3c([nH]c2c1)OCC3=O MOL40073
-CCOC(=O)C1=C(Nc2cccc(OC)c2)OCC1=O MOL40074
-OC(c1ccccc1)C(F)(F)c1nc2ccccc2o1 MOL40075
-OC(c1ccc(-c2ccccc2)cc1)C(F)(F)c1nc2ccccc2o1 MOL40076
-OC(c1cccnc1)C(F)(F)c1nc2ccccc2o1 MOL40077
-OC(c1ccc(F)cc1)C(F)(F)c1nc2ccccc2o1 MOL40078
-OC(c1ccco1)C(F)(F)c1nc2ccccc2o1 MOL40079
-OC(c1ccc(C(F)(F)F)cc1)C(F)(F)c1nc2ccccc2o1 MOL40080
-N#Cc1ccc(C(O)C(F)(F)c2nc3ccccc3o2)cc1 MOL40081
-Cc1ccc2c(c1C)CC1(Cc3c(ccc4c3CCC4)C1=O)C2=O MOL40082
-Cc1cc2c(cc1C)C(=O)C1(C2)Cc2cc3c(cc2C1=O)CCC3 MOL40083
-Cc1ccc2c(c1C)C(=O)C1(Cc3cc4c(cc3C1=O)CCC4)C2 MOL40084
-Cc1ccc2c(c1C)C(=O)C1(C2)Cc2ccc3c(c2C1=O)CCC3 MOL40085
-Cc1cc(C)c2c(c1)CC1(Cc3c(ccc(C)c3C)C1=O)C2=O MOL40086
-Cc1ccc2c(c1C)CC1(Cc3c(C)ccc(C)c3C1=O)C2=O MOL40087
-Cc1cc(C)c2c(c1)CC1(Cc3ccc(C)c(C)c3C1=O)C2=O MOL40088
-Cc1ccc2c(c1C)CC1(Cc3ccc(C)c(C)c3C1=O)C2=O MOL40089
-Cc1cc(C)c2c(c1)CC1(Cc3cc(C)c(C)cc3C1=O)C2=O MOL40090
-COC(=O)c1ccccc1C1CN=NC12Cc1ccc3ccccc3c1C2=O MOL40091
-COC(=O)c1ccccc1C=C1Cc2ccc3ccccc3c2C1C MOL40092
-O=C1OC(C2Cc3ccc4ccccc4c3C2=O)c2ccccc21 MOL40093
-O=C1c2ccccc2CC12Cc1ccc3ccccc3c1C2=O MOL40094
-Cc1cc(C)c2c(c1)CC1(Cc3c(C)cc(C)cc3C1=O)C2=O MOL40095
-Cc1cc(C)c2c(c1)C(=O)C1(C2)Cc2c(ccc(C)c2C)C1=O MOL40096
-Cc1cc(C)c2c(c1)CC1(Cc3c(C)ccc(C)c3C1=O)C2=O MOL40097
-COC(=O)C=Cc1ccc2c(c1)CC1(C2)Cc2cc3c(cc2C1=O)CCC3 MOL40098
-Cc1cc2c(cc1C)C(=O)C1(C2)Cc2c(ccc(C)c2C)C1=O MOL40099
-Cc1cc2c(cc1C)C(=O)C1(C2)Cc2c(C)ccc(C)c2C1=O MOL40100
-O=C1c2c(O)ccnc2-c2nccc3c2c1nc1ccccc13 MOL40101
-COC(=O)C(C)NC(=O)C(NS(=O)(=O)c1nc2ccccc2s1)c1ccccc1 MOL40102
-N#Cc1c(N)c(C(=O)Nc2ccccc2)n2c1CCC2 MOL40103
-Cc1ccc(NC(=O)c2c(N)c(C#N)c3n2CCC3)cc1 MOL40104
-COc1ccc(NC(=O)c2c(N)c(C#N)c3n2CCC3)cc1 MOL40105
-N#Cc1c(N)c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n2c1CCC2 MOL40106
-N#Cc1c(N)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2 MOL40107
-N#Cc1c(N)c(C(=O)Nc2ccccc2)n2c1CCCC2 MOL40108
-CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2 MOL40109
-CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2 MOL40110
-COc1ccc(NC(=O)c2c(NC(C)=O)c(C#N)c3n2CCC3)cc1 MOL40111
-CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCC2 MOL40112
-CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2 MOL40113
-CC(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2 MOL40114
-N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccccc2)n2c1CCC2 MOL40115
-Cc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)c(C#N)c3n2CCC3)cc1 MOL40116
-COc1ccc(NC(=O)c2c(NC(=O)CN3CCOCC3)c(C#N)c3n2CCC3)cc1 MOL40117
-N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccc(Cl)cc2)n2c1CCC2 MOL40118
-N#Cc1c(NC(=O)CN2CCOCC2)c(C(=O)Nc2ccccc2)n2c1CCCC2 MOL40119
-CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2 MOL40120
-CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(C)cc1)CCC2 MOL40121
-CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(OC)cc1)CCC2 MOL40122
-CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCC2 MOL40123
-CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2 MOL40124
-CC=CC=Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2 MOL40125
-N#Cc1c(N=C2CCCCC2)c(C(=O)Nc2ccccc2)n2c1CCC2 MOL40126
-N#Cc1c(N=C2CCCCC2)c(C(=O)Nc2ccccc2)n2c1CCCC2 MOL40127
-N#Cc1c(N=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCC2 MOL40128
-N#Cc1c(N=CC=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCC2 MOL40129
-CC(=O)Nc1c(C#N)c2n(c1C(=O)O)CCC2 MOL40130
-Cc1nc2c(C#N)c3n(c2c(=O)o1)CCCC3 MOL40131
-Cn1c(=N)c(C#N)c2n(c1=S)CCCCCCC2 MOL40132
-N#Cc1c2n(c(=S)n(-c3ccccc3)c1=N)CCCCCCC2 MOL40133
-CN1C(=S)N2CCCCCCCC2C(C#N)=C1N MOL40134
-N#CC1=C(N)N(c2ccccc2)C(=S)N2CCCCCCCC12 MOL40135
-Cn1c(=O)c(C#N)c2n(c1=S)CCCCCCC2 MOL40136
-N#Cc1c2n(c(=S)n(-c3ccccc3)c1=O)CCCCCCC2 MOL40137
-Cc1nc(O)c2c(n1)N(C)C(=S)N1CCCCCCCC21 MOL40138
-CN1C(=S)N2CCCCCCCC2c2c(O)nc(CCl)nc21 MOL40139
-CC(Cl)c1nc(O)c2c(n1)N(C)C(=S)N1CCCCCCCC21 MOL40140
-CCOC(=O)CN1CCNCCN(CC(=O)OCC)CCNCC1 MOL40141
-CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCNCC1 MOL40142
-NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1 MOL40143
-O=C(OCc1ccccc1)N1CCNCCN(C(=O)OCc2ccccc2)CCNCC1 MOL40144
-CCOP(=O)(O)CN1CCNCCN(CP(=O)(O)OCC)CCNCC1.[NaH] MOL40145
-O=C(O)CN1CCN2CCOCCN(CC1)CCN(CC(=O)O)CC2 MOL40146
-O=C(O)CN1CCN2CCCCCN(CC1)CCN(CC(=O)O)CC2 MOL40147
-O=C(O)CN1CCN2CCOCCOCCN(CC1)CCN(CC(=O)O)CC2 MOL40148
-O=C(O)CN1CCN2CCCCCCCCN(CC1)CCN(CC(=O)O)CC2 MOL40149
-O=C(CN1CCNCCN(CC(=O)N2CCCCC2)CCNCC1)N1CCCCC1 MOL40150
-O=C(CN1CCN(C(=O)OCc2ccccc2)CCN(CC(=O)N2CCCCC2)CCN(C(=O)OCc2ccccc2)CC1)N1CCCCC1 MOL40151
-O=C(O)CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCN(CC(=O)O)CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 MOL40152
-CC(C)(C)OC(=O)CN1CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 MOL40153
-O=C(O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CCNCC1 MOL40154
-O=C(OCc1ccccc1)N1CCNCCNCCN(C(=O)OCc2ccccc2)CCNCC1 MOL40155
-O=C(OCc1ccccc1)N1CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 MOL40156
-O=C(O)CN1CCNCCNCC1 MOL40157
-CC(C)(C)OC(=O)CN1CCNCCNCC1 MOL40158
-CCOP(=O)(CN1CCNCCN(CP(=O)(OCC)OCC)CC1)OCC MOL40159
-O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1 MOL40160
-O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCNCC1 MOL40161
-O=C(O)CN1CCNCCN(CC(=O)O)CC1 MOL40162
-CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CC1 MOL40163
-O=P(O)(O)CN1CCNCCN(CP(=O)(O)O)CC1 MOL40164
-CCOP(=O)(CN1CCNCCNCC1)OCC MOL40165
-O=C(O)CCN1CCN(CCC(=O)O)CCN(CCC(=O)O)CC1 MOL40166
-O=C(O)CN1CCNCCN(CP(=O)(O)O)CC1 MOL40167
-COc1cc2c(=O)cnoc2cc1O MOL40168
-O=C(O)C1CC(c2ccc(F)cc2)=Nc2ccc(F)cc2S1 MOL40169
-N#CC1(C#N)C2CCC=C(Sc3ccccc3)C21 MOL40170
-N#CC(C#N)C1CCC=C(Sc2ccccc2)C1Sc1ccccc1 MOL40171
-COc1c2c(cc3oc(C)cc(=O)c13)OC(=N)C(C(N)=O)C2CC(=O)c1ccc(N)cc1 MOL40172
-Cc1cc(C)c(O)c(CN2CCN(C(C)C)CCN(C(C)C)CC2)c1.[NaH] MOL40173
-Cc1cc(Cl)cc(S)c1S(=O)(=O)Nc1nnc2c3ccccc3cnn12 MOL40174
-Cc1cc(Cl)cc(S)c1S(=O)(=O)Nc1nnc2ccc3ccccc3n12 MOL40175
-Cc1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c(S)cc1Cl MOL40176
-Cc1cc(S(=O)(=O)n2ccnc2Oc2ccc(N)cc2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccc(N)cc2)cc1Cl MOL40177
-Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2N)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2N)cc1Cl MOL40178
-Cc1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl MOL40179
-O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl MOL40180
-O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl MOL40181
-Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCNNC3=O)c(S)cc2Cl)cc1 MOL40182
-O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2n[nH]c(=O)n2-c2ccccc2)c(S)cc1Cl MOL40183
-Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3n[nH]c(=O)n3-c3ccccc3)c(S)cc2Cl)cc1 MOL40184
-Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2)cc1Cl MOL40185
-Cc1cc(S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)cc1Cl MOL40186
-Cc1cc(S(=O)(=O)Nc2nc3cccc4cccc([nH]2)c43)c(S)cc1Cl MOL40187
-Cc1cc(S(=O)(=O)Nc2nc3ccccc3n2-c2ccccc2)c(S)cc1Cl MOL40188
-Cc1cc(S(=O)(=O)NC2=NCc3nc4ccccc4n32)c(S)cc1Cl MOL40189
-Cc1cc(S(=O)(=O)NC2=Nc3cccc(F)c3CN2)c(S)cc1Cl MOL40190
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(CCN1CCNCC1)C2=O MOL40191
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(CCc1ccccc1)C2=O MOL40192
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O MOL40193
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(O)C2=O MOL40194
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O MOL40195
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(N)C2=O MOL40196
-CNN1C(=O)c2c(C)c(C)c(C#N)c(N)c2C1=O MOL40197
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(Nc1ccccc1)C2=O MOL40198
-N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(O)C2=O MOL40199
-N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(N)C2=O MOL40200
-Cc1ccc(S(=O)(=O)ON2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1 MOL40201
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=O)c1ccccc1)C2=O MOL40202
-Cc1c(C)c2c(c(N)c1C#N)C(=O)N(NC(=S)Nc1ccccc1)C2=O MOL40203
-N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(NC(=S)Nc1ccccc1)C2=O MOL40204
-N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(NC(=O)c1ccccc1)C2=O MOL40205
-N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(Nc1ccccc1)C2=O MOL40206
-CNN1C(=O)c2c(N)c(C#N)c(-c3ccccc3)c(-c3ccccc3)c2C1=O MOL40207
-COc1ccc(C=NN2C(=O)c3c(N)c(C#N)c(-c4ccccc4)c(-c4ccccc4)c3C2=O)cc1 MOL40208
-Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 MOL40209
-CC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 MOL40210
-[O-][Cl+3]([O-])([O-])[O-].c1ccn2c(N3CCOCC3)[n+]3c4ccccc4[n+]4c(N5CCOCC5)n5ccccc5c4c3c2c1 MOL40211
-[O-][Cl+3]([O-])([O-])[O-].c1ccn2c(N3CCCC3)[n+]3c4ccccc4n4c(N5CCCC5)[n+]5ccccc5c4c3c2c1 MOL40212
-O=[N+]([O-])c1ccc2c(c1)n1c(N3CCCC3)[n+]3ccccc3c1c1c3ccccn3c(N3CCCC3)[n+]21.[O-][Cl+3]([O-])([O-])[O-] MOL40213
-N#Cc1c(N=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCCC2 MOL40214
-N#Cc1c(N=CC=Cc2ccccc2)c(C(=O)Nc2ccccc2)n2c1CCCC2 MOL40215
-Oc1ccc(Cc2nc3ccccc3[nH]2)cc1 MOL40216
-Clc1ccccc1OCc1nc2ccccc2[nH]1 MOL40217
-Clc1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL40218
-COc1ccc(Cc2nc3ccccc3[nH]2)cc1OC MOL40219
-O=[N+]([O-])c1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL40220
-Clc1cccc(Cl)c1Nc1ccccc1Cc1nc2ccccc2[nH]1 MOL40221
-Oc1ccc(CCc2nc3ccccc3[nH]2)cc1 MOL40222
-Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNCC1CCCN3CCCCC13)C(=CNCC1CCCN3CCCCC13)C(=O)C(O)=C2C(C)C MOL40223
-Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1ccccn1)C(=CNc1ccccn1)C(=O)C(O)=C2C(C)C MOL40224
-Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1nc(-c3ccccc3)cs1)C(=CNc1nc(-c3ccccc3)cs1)C(=O)C(O)=C2C(C)C MOL40225
-Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1c3ccccc3nc3ccccc13)C(=CNc1c3ccccc3nc3ccccc13)C(=O)C(O)=C2C(C)C MOL40226
-Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)C3=CNc1c(C)n(C)n(-c3ccccc3)c1=O)C(=CNc1c(C)n(C)n(-c3ccccc3)c1=O)C(=O)C(O)=C2C(C)C MOL40227
-COc1cc(OCc2ccc3nc(-c4ccccc4)c(N)nc3c2)cc(OC)c1OC MOL40228
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(OC)cc1 MOL40229
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(F)cc1 MOL40230
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(C#N)cc1 MOL40231
-CCOC(=O)c1nc2cc(C(F)(F)F)ccc2nc1Oc1ccc(C(=O)OC)cc1 MOL40232
-CC(C)=CCCC(C)c1c2nc3ccccc3[nH]c-2c(C)c(=O)c1O MOL40233
-COC(=O)c1nc2c(C)c(O)c(O)c(C(C)CCC=C(C)C)c2o1 MOL40234
-CC(C)=CCCC(C)C1=C(O)C(O)C(C)=C2N=C(c3ccccc3)C(=O)OC21 MOL40235
-COC(=O)c1nc2c(C)c(O)c(Oc3c(C)c(O)c(O)c(C(C)CCC=C(C)C)c3O)c(C(C)CCC=C(C)C)c2o1 MOL40236
-CC(C)=CCCC(C)C1=C(N)C(=O)C(C)=C(O)C1=O MOL40237
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(N)C1=O MOL40238
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2I)C1=O MOL40239
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2F)C1=O MOL40240
-CNC1=C(C)C(=O)C(O)=C(C(C)CCC=C(C)C)C1=O MOL40241
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2)C1=O MOL40242
-CC(C)=CCCC(C)c1c2nc3ccccc3sc-2c(C)c(=O)c1O MOL40243
-CC(C)=CCCC(C)C1=C(Nc2ccccc2F)C(=O)C(C)=C(O)C1=O MOL40244
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Cl)C1=O MOL40245
-CC(C)=CCCC(C)C1=C(Nc2ccccc2)C(=O)C(C)=C(O)C1=O MOL40246
-CC(C)=CCCC(C)C1=CC(=O)C(C)=C(O)C1=O MOL40247
-CC(C)=CCCC(C)c1c2ncc[nH]c-2c(C)c(=O)c1O MOL40248
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(Nc2ccccc2Br)C1=O MOL40249
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(NC(C)c2ccccc2)C1=O MOL40250
-CC(C)=CCCC(C)C1=C(Nc2ccccc2Cl)C(=O)C(C)=C(O)C1=O MOL40251
-CC(C)=CCCC(C)C1=C(O)C(=O)C(C)=C(c2c(I)c(=O)n(C)c(=O)n2C)C1=O MOL40252
-Clc1ccc(Nc2nnc(CNc3ccc(-c4nnc(Nc5ccc(Cl)cc5)s4)cc3)s2)cc1 MOL40253
-Clc1ccc(Nc2nnc(CNc3ccc(-c4nnc(Nc5ccc(Cl)cc5)o4)cc3)o2)cc1 MOL40254
-S=c1[nH]nc(CNc2ccc(-c3n[nH]c(=S)n3-c3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1 MOL40255
-Cn1c(CNc2ccc(-c3n[nH]c(=S)n3C)cc2)n[nH]c1=S MOL40256
-Nn1c(CNc2ccc(-c3nnc(Nc4ccc(Cl)cc4)n3N)cc2)nnc1Nc1ccc(Cl)cc1 MOL40257
-CNc1nnc(CNc2ccc(-c3nnc(NC)n3N)cc2)n1N MOL40258
-O=C(COc1ccc(OCC(=O)N2C(=O)CSC2=Nc2ccccc2)cc1)N1C(=O)CSC1=Nc1ccccc1 MOL40259
-O=C(COc1ccc(OCC(=O)N2C(=O)CN(c3ccc(Cl)cc3)C2=S)cc1)N1C(=O)CN(c2ccc(Cl)cc2)C1=S MOL40260
-COc1ccc(N2CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CN(c5ccc(OC)cc5)C4=S)cc3)C2=S)cc1 MOL40261
-O=C(COc1ccc(OCC(=O)N2C(=O)CC(=O)N(c3ccccc3)C2=S)cc1)N1C(=O)CC(=O)N(c2ccccc2)C1=S MOL40262
-O=C(COc1ccc(OCC(=O)N2C(=O)CC(=O)N(c3ccc(Cl)cc3)C2=S)cc1)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S MOL40263
-COc1ccc(N2C(=O)CC(=O)N(C(=O)COc3ccc(OCC(=O)N4C(=O)CC(=O)N(c5ccc(OC)cc5)C4=S)cc3)C2=S)cc1 MOL40264
-c1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccccc4)o3)o2)cc1 MOL40265
-Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 MOL40266
-O=[N+]([O-])c1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc([N+](=O)[O-])cc4)o3)o2)cc1 MOL40267
-Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)o3)o2)ccc2ccccc12 MOL40268
-Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)o2)o1 MOL40269
-Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)o3)o2)c(Cl)c1 MOL40270
-Nn1c(CCCCCCCCc2nnc(COc3ccc(Cl)cc3)n2N)nnc1COc1ccc(Cl)cc1 MOL40271
-Nn1c(CCCCCCCCc2nnc(COc3ccc4ccccc4c3O)n2N)nnc1COc1ccc2ccccc2c1O MOL40272
-Nn1c(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2N)nnc1COc1c(O)ccc2ccccc12 MOL40273
-Nn1c(CCCCCCCCc2nnc(COc3ccc(Cl)cc3Cl)n2N)nnc1COc1ccc(Cl)cc1Cl MOL40274
-c1ccc(Nn2c(CCCCCCCCc3nnc(COc4ccccc4)n3Nc3ccccc3)nnc2COc2ccccc2)cc1 MOL40275
-Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)n3Nc3ccccc3)n2Nc2ccccc2)cc1 MOL40276
-Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)n3Nc3ccccc3)n2Nc2ccccc2)ccc2ccccc12 MOL40277
-Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2Nc2ccccc2)n1Nc1ccccc1 MOL40278
-Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)n3Nc3ccccc3)n2Nc2ccccc2)c(Cl)c1 MOL40279
-c1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccccc4)o3)o2)cc1 MOL40280
-Clc1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccc(Cl)cc4)o3)o2)cc1 MOL40281
-COc1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccc(OC)cc4)o3)o2)cc1 MOL40282
-S=c1[nH]nc(CCCCCCCCc2n[nH]c(=S)o2)o1 MOL40283
-Oc1ccc(O)c(Sc2nnc(CCCCCCCCc3nnc(Sc4cc(O)ccc4O)o3)o2)c1 MOL40284
-NNc1nnc(CCCCCCCCc2nnc(NN)n2N)n1N MOL40285
-S=c1oc(CCCCCCCCc2nn(CNc3ccccc3)c(=S)o2)nn1CNc1ccccc1 MOL40286
-S=c1oc(CCCCCCCCc2nn(CNc3ccc(Cl)cc3)c(=S)o2)nn1CNc1ccc(Cl)cc1 MOL40287
-COc1ccc(NCn2nc(CCCCCCCCc3nn(CNc4ccc(OC)cc4)c(=S)o3)oc2=S)cc1 MOL40288
-Oc1c(NCn2nc(CCCCCCCCc3nn(CNc4ccc5ccccc5c4O)c(=S)o3)oc2=S)ccc2ccccc12 MOL40289
-Oc1ccc2ccccc2c1NCn1nc(CCCCCCCCc2nn(CNc3c(O)ccc4ccccc34)c(=S)o2)oc1=S MOL40290
-CCN(CC)c1nnc(CCCCCCCCc2nnc(N(CC)CC)o2)o1 MOL40291
-C(CCCCc1nnc(N2CCCCC2)o1)CCCc1nnc(N2CCCCC2)o1 MOL40292
-C(CCCCc1nnc(N2CCOCC2)o1)CCCc1nnc(N2CCOCC2)o1 MOL40293
-CNc1nnc(CCCCCCCCc2nnc(NC)o2)o1 MOL40294
-c1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccccc4)o3)o2)cc1 MOL40295
-COc1ccc(-c2nnc(CCCCCCCCc3nnc(-c4ccc(OC)cc4)o3)o2)cc1 MOL40296
-C=Cc1nc2nnc(CCCCCCCCc3nnc4nc(C=C)[nH]n34)n2[nH]1 MOL40297
-Cc1nc2nnc(CCCCCCCCc3nnc4nc(C)[nH]n34)n2[nH]1 MOL40298
-O=C(CCCCCCCCC(=O)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1c(O)ccc2ccccc12)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1c(O)ccc2ccccc12 MOL40299
-O=C(CCCCCCCCC(=O)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1ccc(Cl)cc1)NN1C(=O)C(=Cc2ccc(O)c(O)c2)SC1c1ccc(Cl)cc1 MOL40300
-COc1ccc(C=C2SC(c3c(O)ccc4ccccc34)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3c(O)ccc4ccccc34)C2=O)cc1OC MOL40301
-COc1ccc(C=C2SC(c3ccc(Cl)cc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3ccc(Cl)cc3)C2=O)cc1OC MOL40302
-COc1ccc(C=C2SC(c3ccccc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)C(=Cc4ccc(OC)c(OC)c4)SC3c3ccccc3)C2=O)cc1OC MOL40303
-O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 MOL40304
-c1cnc(SCc2nc3ccccc3o2)nc1 MOL40305
-COC(=O)c1cc(C(=CC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL40306
-C=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 MOL40307
-O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 MOL40308
-C=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 MOL40309
-O=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 MOL40310
-CC(=O)N1CC2(CN(C(C)=O)CC3(C1)OCCO3)OCCO2 MOL40311
-O=C(N1CC2(CN(C(=O)C(F)(F)F)CC3(C1)OCCO3)OCCO2)C(F)(F)F MOL40312
-Cc1ccc(S(=O)(=O)N2CC3(CN(S(=O)(=O)c4ccc(C)cc4)CC4(C2)OCCO4)OCCO3)cc1 MOL40313
-C1COC2(CNCC3(CNC2)OCCO3)O1.Cl MOL40314
-C=C(C)C1Cc2oc(cc2C(=O)OC)C(C(=C)C)C2OC(=O)C(=CC1O)C2N(C)C MOL40315
-CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C MOL40316
-CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL40317
-CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C1C2C MOL40318
-CC1=C(C(=O)NC(CC(C)C)C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1 MOL40319
-CC1=C(C(=O)NC(Cc2ccccc2)C(=O)O)N2C(=O)C(NC(=O)C(N)CC(C)C)C2SC1 MOL40320
-CC1=C(C(=O)NC(CC(C)C)C(=O)O)N2C(=O)C(NC(=O)C(N)Cc3ccccc3)C2SC1 MOL40321
-COc1cc2c(cc1OC)OC(c1c(OC)ccc(OC)c1O)CC2 MOL40322
-CCOC(=O)C(C)c1nc2cc3cccnc3c(Cl)c2nc1O MOL40323
-Oc1nc2cc(C(F)(F)F)ccc2nc1Cc1ccccc1 MOL40324
-Oc1nc2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 MOL40325
-Oc1nc2cc(F)c(F)cc2nc1Cc1ccccc1 MOL40326
-CC(C)(C)C(O)=Cc1nc2cc(F)c(F)cc2nc1O MOL40327
-OCC1=CCN2CC(O)C(O)C12 MOL40328
-COC(=O)C1CCCN1C(=O)OC(C)(C)C MOL40329
-COC(=O)C1(CCCCl)CCCN1C(=O)OC(C)(C)C MOL40330
-COC(=O)C12CCCN1CCC2 MOL40331
-O=CC12CCCN1CCC2 MOL40332
-CCC1(c2ccc(OC)c(OC)c2)CCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL40333
-COc1ccc(C2(CC(C)C)CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC MOL40334
-O=C(OCC(Cl)(Cl)Cl)N1CCC(C2CCCCC2)C1 MOL40335
-O=C(OCC(Cl)(Cl)Cl)N1CCC(C2CCCCC2)C1 MOL40336
-O=C(OCC(Cl)(Cl)Cl)OC1CCCC1(c1ccccc1)c1ccccc1 MOL40337
-CCC1(c2ccc(OC)c(OC)c2)CCN2C(=O)C(O)CC21 MOL40338
-C=CC1(CCC(=C[N+](=O)[O-])c2ccc(OC)c(OC)c2)OCC(C)(C)CO1 MOL40339
-COc1ccc(C23CCC4(OCC(C)(C)CO4)C4CON(OC(OC5CCCCC5C(C)(C)c5ccccc5)C2)C43)cc1OC MOL40340
-C=CC1(CCC2(c3ccc(OC)c(OC)c3)[CH-][N+](=O)OC(OC3CCCCC3C(C)(C)c3ccccc3)C2)OCC(C)(C)CO1 MOL40341
-COc1ccc(C23CCN(S(=O)(=O)c4ccc(C)cc4)C2C(CO)C2(CC3)OCC(C)(C)CO2)cc1OC MOL40342
-COc1ccc(C23CCC(=O)CC2N(C)CC3)cc1OC.Cl MOL40343
-CCOC(C)OC1C(=O)OCC1(C)C MOL40344
-CC(C)(C)COC1C2(OCCO2)C2CCC1(C)C2(C)C MOL40345
-CC12C3CCC1C(O)C(=O)N2CC3 MOL40346
-CC(=O)C1C(OCc2ccccc2)O[N+](=O)[C-](C)C1c1ccccc1 MOL40347
-CC1CN2C(=O)C(OC(=O)Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C3CCC1C32C MOL40348
-COc1c(Br)cc2ccccc2c1-c1c(OC)c(Br)cc2ccccc12 MOL40349
-Oc1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc2c1-c1c(O)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2ccccc12 MOL40350
-CCC1(Cc2ccc(OC)c(OC)c2)[CH-][N+](=O)OC(OCc2ccccc2)C1OC(C)=O MOL40351
-CCC1(Cc2ccc(OC)c(OC)c2)[CH-][N+](=O)OC(OC2CCCCC2c2ccccc2)C1OC(C)=O MOL40352
-CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OCc2ccccc2)ON2OC(C(=O)OC)CC21 MOL40353
-CCC1(Cc2ccc(OC)c(OC)c2)CN(S(=O)(=O)c2ccc(C)cc2)CC1OC(C)=O MOL40354
-COC(=O)CCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 MOL40355
-COC(=O)c1cc(C(=CCC2OCCO2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL40356
-COC(=O)CCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL40357
-CC(C)CCCC(C)C1CCC2C3CCC4CC(NC(=O)C=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL40358
-CC(C)CCCC(C)C1CCC2C3CCC4CC(NC(=O)C=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL40359
-COC(=O)C12C(=O)C(C)C(=O)C1(C)C(C)=CC1C3(C=O)CCC(OC(C)=O)C(C)(C)C3CCC12C MOL40360
-Nc1nc(N)nc(-c2cccs2)n1 MOL40361
-CCC=CCC=CCC=CCCCCCCCC(=O)NC(CCC(N)=O)C(=O)O.N MOL40362
-O=C(O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 MOL40363
-CCOC(=O)c1c(NC(=O)c2ccccc2)c(C#N)c2n1CCCCC2 MOL40364
-CCOC(=O)c1c(NC(=O)OC)c(C#N)c2n1CCCCC2 MOL40365
-CCNC(=S)Nc1c(C#N)c2n(c1C(=O)OCC)CCCCC2 MOL40366
-CCCCNC(=O)Nc1c(C(N)=O)c2n(c1C(=O)OCC)CCCCC2 MOL40367
-CCOC(=O)c1c(NC(=O)Nc2ccccc2)c(C(N)=O)c2n1CCCCC2 MOL40368
-O=c1[nH]c(=O)c2c3n(cc2[nH]1)CCCCC3 MOL40369
-Cc1nc2cn3c(c2c(=O)[nH]1)CCCCC3 MOL40370
-N#Cc1c2n(c3c(=O)n(-c4ccccc4)c(=S)[nH]c13)CCCCC2 MOL40371
-N=c1c2c3n(c4c(=O)n(-c5ccccc5)c(=S)n(c(=O)n1-c1ccccc1)c24)CCCCC3 MOL40372
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL40373
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)NC(C(=O)NC(CCC(=O)NCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O)C(C)C MOL40374
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)NC(C)C(=O)NC(CCC(=O)NCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O MOL40375
-CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OCC(=O)N1CCCC1C(=O)NC(CCC(=O)NCCNCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12)C(N)=O MOL40376
-O=C1C=CC(=CC2SSC=CC23C=CC(=O)C3)C1 MOL40377
-CC1=C(C(N)=O)C(c2ccncc2)C(C#N)C(=O)N1 MOL40378
-CC1(O)Oc2ccc3ccccc3c2C=C1C(N)=O MOL40379
-CN(C)c1ccc(C=NCC2CCCN3CCCCC23)cc1 MOL40380
-Oc1ccc(C=NCC2CCCN3CCCCC23)cc1 MOL40381
-O=[N+]([O-])c1ccc(O)c(C=NCC2CCCN3CCCCC23)c1 MOL40382
-Oc1ccc(C=Nc2nccs2)c(O)c1 MOL40383
-COC(=O)C(Cc1ccc(O)c(Br)c1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C MOL40384
-COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C MOL40385
-NC(=O)C1Cc2cc3c(cc21)OCO3 MOL40386
-COC(=O)c1ccc(C(=O)NC(Cc2ccc(Oc3cc(CC(NC(=O)c4ccccc4C(=O)OC)C(=O)OC)ccc3OC)cc2)C(=O)OC)cc1 MOL40387
-COc1ccc(CC(COS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c2ccc(C)cc2)cc1 MOL40388
-COc1ccc(CC2CN(C(=O)c3ccccc3)C(Cc3ccc(O)cc3)CN2C(=O)c2ccccc2)cc1Br MOL40389
-O=C(NC(CO)Cc1ccc(Oc2cc(CC(CO)NC(=O)OCc3ccccc3)ccc2OC(=O)OCc2ccccc2)cc1)OCc1ccccc1 MOL40390
-COC(=O)C(Cc1ccc(Oc2cc(CC(NC(=O)c3ccccc3)C(=O)OC)ccc2OC)cc1)NC(=O)c1ccccc1 MOL40391
-C#CC(C)(C)C(C=NNC(=O)OC1CC(C)CCC1C(C)C)CCC(=O)OC MOL40392
-COC(=O)C1=C(C(=O)OC)C2OC1C1C2C2(C)C(C)=C(C)C1(C)S2=O MOL40393
-CC12C=CC(C)(C3C(=O)C4C(C(=O)C31)C1(C)C=CC4(C)S1=O)S2=O MOL40394
-O=C1NC2ON=C(c3ccccc3)C2C2ON=C(c3ccccc3)N12 MOL40395
-CC12ON=C(c3ccccc3)N1C=CN1C(c3ccccc3)=NOC12 MOL40396
-C1=NN2C(c3ccccc3)=NOC2C2C(c3ccccc3)=NOC12 MOL40397
-COC1OC(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N MOL40398
-Fc1cc(-c2ncc(Cl)cc2Cl)c2cccccc1-2 MOL40399
-N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2ccccc2)n(-c2ccccc2)c1N MOL40400
-CCOC(=O)c1cn2c(n1)sc1cc(OC)ccc12 MOL40401
-CCOC(=O)c1cn2c(n1)sc1cccc(C)c12 MOL40402
-CC1(C)SC(CCCCCCCCCCCNC2=NCCCCCCCCCCC2)=NC1C(=O)O MOL40403
-CC1(C)COC(CCCCCNC2=NCCCCC2)=N1 MOL40404
-O=C1CC(C(=O)N2CCCCC2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 MOL40405
-Cc1csc(=Nc2ccccc2)n1CCC(O)(P(=O)(O)O)P(=O)(O)O MOL40406
-N=C(N)NCCC(O)(P(=O)(O)O)P(=O)(O)O.[NaH] MOL40407
-N=C(N)NC(P(=O)(O)O)P(=O)(O)O.[NaH] MOL40408
-O=P(O)(O)C(N=C(Nc1ccccc1)Nc1ccccc1)P(=O)(O)O MOL40409
-Cc1cc(C)nc(NC(P(=O)(O)O)P(=O)(O)O)n1.[NaH] MOL40410
-Cc1cc(C)nc(NCCC(O)(P(=O)(O)O)P(=O)(O)O)n1.[NaH] MOL40411
-C=CCn1c(-c2ccccc2)csc1=NC(P(=O)(O)O)P(=O)(O)O MOL40412
-C=CCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=NC(P(=O)(O)O)P(=O)(O)O MOL40413
-C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=NC(P(=O)(O)O)P(=O)(O)O MOL40414
-CCn1c(-c2ccccc2)csc1=NC(P(=O)(O)O)P(=O)(O)O MOL40415
-CCn1c(-c2ccc(C)cc2)csc1=NC(P(=O)(O)O)P(=O)(O)O MOL40416
-Cc1csc(=NC(P(=O)(O)O)P(=O)(O)O)n1C.[NaH] MOL40417
-CC1=CSC(=NC23CC4CC(CC(C4)C2)C3)[NH+]1C(P(=O)([O-])O)P(=O)(O)O MOL40418
-Cc1ccc(C2(O)CSC(=NC34CC5CC(CC(C5)C3)C4)N2C(P(=O)(O)O)P(=O)(O)O)cc1 MOL40419
-O=P(O)(O)C(NCC(O)CN1CCOCC1)P(=O)(O)O MOL40420
-CC(O)(P(=O)(O)O)P(=O)(O)OCC(O)CN1CCOCC1 MOL40421
-O=c1ccn(C2OC(CN(O)CCC3C(O)C(CO)OC3n3ccc(=O)[nH]c3=O)C(O)C2O)c(=O)[nH]1 MOL40422
-Cc1cn(C2CC([N+]([O-])=NNc3ccc([N+](=O)[O-])cc3)C(CO)O2)c(=O)[nH]c1=O MOL40423
-CCCCCCCN(O)CC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O MOL40424
-Cc1cn(C2CC(CC=[N+]([O-])CC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL40425
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(N)=O)CS2=O MOL40426
-Cc1nc(CC2C(CO[Si](C)(C)C(C)(C)C)OC(n3ccc(=O)[nH]c3=O)C2O[Si](C)(C)C(C)(C)C)no1 MOL40427
-CCc1c(Cc2cc(C)cc(C)c2)n(COCCCO)c(=O)[nH]c1=O MOL40428
-CCSC(CCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O)SCC MOL40429
-Cc1cn(C2CC3C(COC(CC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O MOL40430
-Cc1cn(C2CC(CCN(O)CC3OC(n4cc(C)c(=O)[nH]c4=O)CC3O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL40431
-CC(C)=CC1CC(n2cc(C)c(=O)[nH]c2=O)ON1CCOS(=O)(=O)c1ccc(C)cc1 MOL40432
-CC(C)(C)[Si](C)(C)OCC1=C(CC#N)C(O[Si](C)(C)C(C)(C)C)C(n2ccc(=O)[nH]c2=O)O1 MOL40433
-COc1ccc(OCc2nc3ccccc3[nH]2)cc1 MOL40434
-CCOC(=O)C1CCN2CN(c3ccc(OC)cc3)N=C(c3ccccc3)C12c1ccccc1 MOL40435
-O=C1C2CN3CN(c4ccccc4)N=C(c4ccccc4)C3(c3ccccc3)C2C(=O)N1c1ccccc1 MOL40436
-CNC(=N)NN=C1C(=O)Nc2ccccc21 MOL40437
-CC(=O)NC(=NN=C1C(=O)Nc2ccc(C)cc21)NC(C)=O MOL40438
-CCOC(=O)c1c(O)cn2c1[nH]c1cccc3cccc2c31 MOL40439
-CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C(=O)CC1c1ccccc1 MOL40440
-Cc1cc(C)c(C2=NOC(c3ccccc3)(c3cc(=O)n(-c4ccccc4)s3)O2)c(C)c1 MOL40441
-CC1(C)C2CC1C(C(O)C1c3cc(-c4ccccn4)ncc3C3CC1C3(C)C)c1cc(-c3ccccn3)ncc12 MOL40442
-O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 MOL40443
-CSc1nc(=O)c2nc(-c3cccs3)c(-c3cccs3)nc2n1C MOL40444
-c1ccc2sc(SSSc3nc4ccccc4s3)nc2c1 MOL40445
-O=C(N=C1OC(CN2CCOCC2)CN1C(=O)Nc1ccccc1)Nc1ccccc1 MOL40446
-CCCNC(=O)N1CC(CN2CCN(c3ccccc3)CC2)OC1=NC(=O)Nc1ccccc1 MOL40447
-Cc1cn(C2CC(C)(CO)N(C)O2)c(=O)[nH]c1=O MOL40448
-Cc1cn(C2CC(C)(CO)N(C)O2)c(=O)[nH]c1=O MOL40449
-Cn1ccc(-c2cn(C)c3ccnn3c2=O)n1 MOL40450
-Cc1cc2n(C)cc(-c3ccnn3C)c(=O)n2n1 MOL40451
-CCOC(=O)c1cc(C(=O)c2ccccc2)n2nc(-c3ccc(Cl)cc3)ccc12 MOL40452
-CCOC(=O)C(C#N)=Cc1ccc2c(-c3c(OCC)ccc4cc(C=C(C#N)C(=O)OCC)ccc34)c(OCC)ccc2c1 MOL40453
-CN1CCN(c2cc3[nH]c(-c4ccc(Cl)cc4)nc3cc2F)CC1 MOL40454
-Cc1ccc(-c2nc3cc(F)c(N4CCN(C)CC4)cc3[nH]2)cc1 MOL40455
-CC(=O)Nn1c(=S)[nH]c2ccccc21 MOL40456
-CNC(=O)Nn1c(SC)nc2ccccc21 MOL40457
-CC(C)(C)C1=NC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1 MOL40458
-COc1c(C(=O)CC2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)C2c2nc3ccccc3[nH]2)c(O)c(OC)c2occc12 MOL40459
-COC(=O)C1=C(C(=O)OC)SC(=C2SC3=C(SC(=C4SCCS4)S3)S2)S1 MOL40460
-O=C1c2ccccc2C(=O)N1CCSCC(CO)SCCN1C(=O)c2ccccc2C1=O MOL40461
-CN(C)CCCSCC(COc1nccc(-c2ccc(-c3ccc(-c4ccnc(OCC(CSCCCN(C)C)SCCCN(C)C)n4)s3)s2)n1)SCCCN(C)C MOL40462
-O=C1c2ccccc2C(=O)N1CCCSCC(CO)SCCCN1C(=O)c2ccccc2C1=O MOL40463
-CN(C)c1ccc(C=C(NC(=O)c2ccccc2)C2NC(Cc3c[nH]c4ccccc34)C(=O)O2)cc1 MOL40464
-CCC1=NC(NN=Cc2ccccc2O)=NC1=Cc1ccccc1O MOL40465
-CCC1=NC(NN=Cc2ccco2)=NC1=Cc1ccccc1O MOL40466
-CCC1=NC(NN=Cc2ccco2)=NC1=Cc1ccco1 MOL40467
-CCOC(=O)Nc1[nH]c(C)c(Cc2ccccc2)c1C#N MOL40468
-Cc1nc2c3c(Cc4ccccc4)c(C)[nH]c3ncn2n1 MOL40469
-CC(=O)OC1C#CC=CC#CCC2C(=O)NC12 MOL40470
-CC(=O)OC1C#CC=CC#CCC2C(=O)N(C(=O)OC(C)(C)C)C12 MOL40471
-O=C(O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O MOL40472
-CCOC(=O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O MOL40473
-CCOC(=O)CN1C(=O)c2c(NC(=O)C(=O)O)cccc2S1(=O)=O MOL40474
-CCOC(=O)CCN1C(=O)c2c(NC(=O)C(=O)O)cccc2S1(=O)=O MOL40475
-CCOC(=O)C1(C#N)C(C#N)(C#N)C1(C#N)C#N MOL40476
-N#CC1(C#N)C(C#N)(C#N)C1(C#N)C(N)=O MOL40477
-N#CC(C#N)=C1C(C#N)=C(N)NC12OCCO2 MOL40478
-N#CC(C#N)=C1C(=O)NC(N)=C1C#N MOL40479
-CCOC(=O)C1(C#N)C2(C#N)C(=N)NC(ON=C(C)C)(ON=C(C)C)C21C#N MOL40480
-N#CC12C(=O)N3C(=NC(c4ccco4)NC3c3ccco3)C1(C#N)C(c1ccco1)NC1=C2CCCC1 MOL40481
-COC(=O)c1c(C#N)c(N)nc2c1CCC2 MOL40482
-CCOC(=O)C=C(C)Nc1nc2c(c(C(=O)OC)c1C#N)CCCC2 MOL40483
-CC1=C(C)C2(C#N)C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C2(C#N)C(c2ccccc2)N1 MOL40484
-Cc1cc2c(O)nnc(N)c2c(N)n1 MOL40485
-COC1(OC)NC(=N)C2(C#N)C(c3ccccc3)NC3=C(CCC3)C12C#N MOL40486
-N#CC12C(=O)NC(=N)C1(C#N)C(c1ccco1)NC1=C2CCCC1 MOL40487
-CC1=C(C)C2(C#N)C(=O)N3C(=NC(c4ccco4)NC3c3ccco3)C2(C#N)C(c2ccco2)N1 MOL40488
-N#CC12C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C1(C#N)C(c1ccccc1)NC1=C2CCCC1 MOL40489
-N#CC12C(=O)N3C(=NC(c4ccccc4)NC3c3ccccc3)C1(C#N)C(c1ccccc1)NC1=C2CCC1 MOL40490
-COc1ccc(C2NC3=C(CCCC3)C3(C#N)C(=O)NC(=N)C23C#N)cc1 MOL40491
-N=C1OC(CN2CCN(c3ccccc3)CC2)CN1C(=O)Nc1ccccc1 MOL40492
-O=C(Nc1ccccc1)N1CC(CN2CCN(c3ccccc3)CC2)OC1=O MOL40493
-O=C(NC1=NCC(CN2CCN(c3ccccc3)CC2)O1)Nc1ccccc1 MOL40494
-CCN(CC)CCn1[nH]c(=N)c2nc3cc(Cl)ccc3nc21 MOL40495
-N=c1[nH][nH]c2nc3ccc(C(F)(F)F)cc3nc12 MOL40496
-CN(C)CCn1[nH]c(=N)c2nc3cc(C(F)(F)F)ccc3nc21 MOL40497
-Cc1cc2nc3[nH][nH]c(=N)c3nc2cc1C MOL40498
-N#Cc1nc2ccccc2nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 MOL40499
-Cc1cc2c(cc1C)[n+](=O)[c-](C#N)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]2[O-] MOL40500
-Cc1cc(O)nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 MOL40501
-C=C(C(=O)O)C1CCC(CCC=C(C)CCC=C(C)CCC=C(C)C)CO1 MOL40502
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL40503
-COC(=O)c1ccc(CON=C(c2ccccc2)c2ccccn2)cc1 MOL40504
-COC(=O)c1ccc(CON=C(c2ccccc2)c2ccncc2)cc1 MOL40505
-COC(=O)c1ccc(CON=C(c2ccccc2)c2cccnc2)cc1 MOL40506
-CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1CO MOL40507
-CNc1ccc(N)cc1C(=O)N1CCCC1CO MOL40508
-CNc1cc(Cl)ccc1C(=O)N1CCCC1CO MOL40509
-CNc1ccc(Cl)cc1C(=O)N1CCCC1CO MOL40510
-CNc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1CCCC1CO MOL40511
-O=C1Nc2cc(Cl)ccc2C(=O)N2CCCC12 MOL40512
-O=C1Nc2ccc(Cl)cc2C(=O)N2CCCC12 MOL40513
-Nc1ccc2c(c1)C(=O)N1CCCC1C(=O)N2 MOL40514
-COc1cc2c(cc1OCc1ccccc1)NC(=O)C1CCCN1C2=O MOL40515
-COCOC1CC2C(=O)Nc3ccccc3C(=O)N2C1 MOL40516
-COCN1C(=O)C2CCCN2C(=O)c2cc([N+](=O)[O-])ccc21 MOL40517
-COCN1C(=O)C2CCCN2C(=O)c2cc(N)ccc21 MOL40518
-COCN1C(=O)C2CCCN2C(=O)c2ccc(Cl)cc21 MOL40519
-COCN1C(=O)C2CCCN2C(=O)c2cc(Cl)ccc21 MOL40520
-COCN1C(=O)C2CCCN2C(=O)c2cc(OC)c(Cc3ccccc3)cc21 MOL40521
-COCOC1CC2C(=O)N(COC)c3ccccc3C(=O)N2C1 MOL40522
-COCN1C(=O)C2CC(O)CN2C(=O)c2ccccc21 MOL40523
-COCN1C(=O)C2CC(OCC=CCBr)CN2C(=O)c2ccccc21 MOL40524
-CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3C MOL40525
-CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3C1CC1 MOL40526
-CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccccc1Cl MOL40527
-CSc1nc2c(c(N(C)C)n1)C=Nn1c(nc3ccccc31)S2 MOL40528
-CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1N=C2 MOL40529
-CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1C2O MOL40530
-CSc1nc2c(c(N(C)C)n1)C(O)n1c(nc3ccccc31)S2 MOL40531
-CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1C2O)OCCO4 MOL40532
-COc1cc2nc3n(c2cc1OC)C(O)c1c(Cl)nc(SC)nc1S3 MOL40533
-CSc1nc(Cl)c2c(n1)Sc1nc3cc4c(cc3n1C2O)OCO4 MOL40534
-O=c1c(=Cc2ccccn2)sc2nc3cc4c(cc3n12)OCCO4 MOL40535
-CNc1nc(SC)nc2c1c(=N)[nH]n2C MOL40536
-CSc1nc(Nc2ccccc2Cl)c2c(=N)[nH]n(C)c2n1 MOL40537
-CSc1nc(Nc2cccc(C(F)(F)F)c2)c2c(=N)[nH]n(C)c2n1 MOL40538
-CCOC(=O)c1[nH]c2nc(SC)nc(NC)c2c1N MOL40539
-CCOC(=O)c1[nH]c2nc(SC)nc(Nc3ccccc3Cl)c2c1N MOL40540
-CSc1ncc2c(n1)sc1c(=O)n(-c3ccccc3)cnc12 MOL40541
-O=c1c2sc3nc(NCCN4CCCCC4)ncc3c2ncn1-c1ccccc1 MOL40542
-CN1CCN(c2ncc3c(n2)sc2c(=O)n(-c4ccccc4)cnc23)CC1 MOL40543
-CCOC(=O)c1sc2nc(SC)nc(N3CCCCC3)c2c1N MOL40544
-c1ccc(COc2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 MOL40545
-O=C(c1ccccc1)n1c(Cc2ccccc2)nc2cc(C34CC5CC(CC(C5)C3)C4)ccc21 MOL40546
-Clc1ccccc1-c1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2[nH]1 MOL40547
-Clc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 MOL40548
-Cc1cn(CC2=NCCN2)c(=O)[nH]c1=O.Cl MOL40549
-Cc1cn(CC2=NCC(C)N2)c(=O)[nH]c1=O.Cl MOL40550
-Cc1cn(CC2=NCC(C)(C)N2)c(=O)[nH]c1=O.Cl MOL40551
-Cc1cn(CC2=NC3CCCCC3N2)c(=O)[nH]c1=O.Cl MOL40552
-Cc1cn(CC2=NCCCN2)c(=O)[nH]c1=O.Cl MOL40553
-Cc1cn(CC2=NCC(C)(C)CN2)c(=O)[nH]c1=O.Cl MOL40554
-CCC1CCN=C(Cn2cc(C)c(=O)[nH]c2=O)N1.Cl MOL40555
-CCOC(=O)C1(CC=CCBr)CCCC1=O MOL40556
-CCOC(=O)C1(CC=CCBr)CCCCCCC1=O MOL40557
-CCOC(=O)C1(CC=CCBr)CCCCCCCCCCC1=O MOL40558
-CC=C1CC(C(=O)OCC)CCCCCCCCCCC1=O MOL40559
-CCOC(=O)C1(CC=CCCl)CCCC1=O MOL40560
-CCOC(=O)C1(CC=CCBr)Cc2ccccc2C1=O MOL40561
-CCOC(=O)C1(CC=CCBr)CCc2ccccc2C1=O MOL40562
-CC=C1CC(C(=O)OCC)CCCCCCC1=O MOL40563
-O=P1(Oc2ccc(Cl)cc2)OCCS1 MOL40564
-c1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12 MOL40565
-CN(C)c1nc2no[nH]c-2nc1=Nc1ccccc1 MOL40566
-c1ccc2nc3nc4c(nc3nc2c1)NON4 MOL40567
-N=c1[nH]onc1-c1no[n+]([O-])c1-c1no[nH]c1=N MOL40568
-Cc1ccccc1N=Nc1ccc(NN=C2CCCNC2=O)c(C)c1 MOL40569
-N=c1[nH]onc1-c1noc(-c2no[nH]c2=N)[n+]1[O-] MOL40570
-CCn1nc2c3c(ncn3C(C)(C)O2)c1=O MOL40571
-CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O MOL40572
-N#Cc1c(-c2ccc(Cl)cc2Cl)nc2[nH][nH]c(=S)n2c1=O MOL40573
-C=CCC(C)CCC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C MOL40574
-O=C1Nc2ccccc2C1S(=O)(=O)c1ccccc1 MOL40575
-CCSc1cc(C(=O)OC)c2n(c1=O)CCCC2 MOL40576
-O=C1CCCN1C(=O)CS(=O)(=O)c1ccccc1 MOL40577
-Cc1cc2c(c(=O)n1C)SCC2 MOL40578
-COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c(=O)n2c1CCCC2 MOL40579
-CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2.[Br-] MOL40580
-CCOC(=O)C(=[N+]=[N-])C(=O)CSC#N MOL40581
-CC(=O)Oc1cc2c(n(C)c1=O)-c1ccccc1C2 MOL40582
-CC1(CC(=O)OC(C#C[Si](C)(C)C)Cc2ccccc2)OCCO1 MOL40583
-Cc1ccc(S(=O)(=O)N2CCc3cc(O)c([N+](=O)[O-])cc32)cc1 MOL40584
-Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])o2)cc1 MOL40585
-COC(=O)C1(O)C(c2ccccc2)=NC2(C)CCCC21 MOL40586
-COC(=O)C1(O)C(c2ccccc2)NC2(C)CCCC21 MOL40587
-Cc1c(-c2ccccc2)nn2cc(-c3ccccc3)nnc12 MOL40588
-COc1cnnc2c(C)c(-c3ccccc3)nn12 MOL40589
-CC12CC3c4ccccc4CN1C3(c1ccccc1)OC2=O MOL40590
-C1=CC2C(C3CN(c4ccccc4)N=C13)C1C3C4C=CC21C=CC43 MOL40591
-COC(=O)CN1C(=O)C2(C(=O)OC)OC1(c1ccc([N+](=O)[O-])cc1)C1C(=O)N(c3ccccc3)C(=O)C12 MOL40592
-COC(=O)C12OC(C)(C(CC(=O)OC(C)(C)C)C1=O)C1C(=O)N(c3ccccc3)C(=O)C12 MOL40593
-C=C(CCC(=O)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1CSCC)C(=O)OC MOL40594
-CC(=O)Oc1cc2c(n(C)c1=O)CCC2 MOL40595
-C=CCCC(=O)N1CCC(C(=O)OCC)C1=O MOL40596
-CCOC(=O)C(=[N+]=[N-])C(=O)C1(C(=O)OCC)CCN(C(=O)c2ccccc2)C1=O MOL40597
-CCOC(=O)C12OC(OCC)(CC1(OCC)OCC)C1(CC1)C2=O MOL40598
-C=CCCCN(C(=O)c1ccccc1)c1ccc(C(=O)OC)o1 MOL40599
-C=C(CC(=O)Nc1ccc(C(=O)OC)o1)C(=O)OC MOL40600
-COC(=O)C1=C(c2ccccc2)c2ccccc2C(=O)N(C2CCCCC2)C=C1 MOL40601
-COC(=O)C1=CN(C2CCCCC2)C2(c3ccccc3)c3ccccc3C(=O)OC(=O)C12 MOL40602
-COC(=O)C1=CC2C(=O)c3ccccc3C1(c1ccccc1)N2C1CCCCC1 MOL40603
-COC(=O)C1=C(C(=O)OC)C2(c3ccccc3)c3ccccc3C(=O)C1N2C1CCCCC1 MOL40604
-O=C1CCC2SC1CCC2=O MOL40605
-Cc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)C2C)cc1 MOL40606
-COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)CC(C#N)C2C1 MOL40607
-C=C=C(CC(CC(=C)Br)(C(=O)OC)C(=O)OC)S(=O)(=O)c1ccccc1 MOL40608
-COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)CC(C#N)C2C1 MOL40609
-COC(=O)C1(C(=O)OC)CC2=C(S(=O)(=O)c3ccccc3)CC(S(=O)(=O)c3ccccc3)C2C1 MOL40610
-Cc1nnc(N)nc1CC=CC(Sc1ccc(Cl)cc1)c1ccccc1 MOL40611
-Cc1nnc(N)nc1CC=CC(C)Sc1ccc(Cl)cc1 MOL40612
-CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 MOL40613
-Cc1nnc(N2C(=O)C(=Cc3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)nc1C=Cc1ccc(N(C)C)cc1 MOL40614
-CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl MOL40615
-CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1c(O)ccc2ccccc12 MOL40616
-CC1=NNC(=N)NC1=CC(Sc1ccc(Cl)cc1)c1cccs1 MOL40617
-COc1cc(C=Cc2nc(NC(=S)Nc3ccccc3)nnc2C)cc(OC)c1OC MOL40618
-Cc1nn2c(=N)cc(O)nc2nc1C=Cc1ccc(N(C)C)cc1 MOL40619
-Cc1nnc(-n2c(O)cc(=O)n(-c3ccccc3)c2=S)nc1C=Cc1ccc(N(C)C)cc1 MOL40620
-Cc1nnc(N)nc1C=Cc1ccc(Cl)cc1Cl MOL40621
-Cc1nnc(N)nc1C=Cc1ccc(N(C)C)cc1 MOL40622
-Cc1nnc(N)nc1C=Cc1cccs1 MOL40623
-COc1cc(C=Cc2nc(N)nnc2C)cc(OC)c1OC MOL40624
-Cc1nnc(N)nc1C=Cc1c(O)ccc2ccccc12 MOL40625
-COc1cc(Nc2cnc3cc(F)c(F)cc3n2)cc(OC)c1OC MOL40626
-COc1cc(Nc2cnc3cc(F)c(F)cc3n2)cc(OC)c1 MOL40627
-COc1cc(Oc2nc3cc(F)c(F)cc3nc2-c2ccccc2)cc(OC)c1OC MOL40628
-COc1cc(OC)cc(Oc2nc3cc(F)c(F)cc3nc2-c2ccccc2)c1 MOL40629
-CCOC(=O)c1nc2cc(F)c(F)cc2nc1NCc1cc(OC)c(OC)c(OC)c1 MOL40630
-CCOC(=O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)OCC)cc1 MOL40631
-O=C(O)Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1 MOL40632
-CCOC(=O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1 MOL40633
-O=C(O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1 MOL40634
-C#CCN(Cc1ccc2nc(OC)c(OC)nc2c1)c1cc(OC)c(OC)c(OC)c1 MOL40635
-COC1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3C12 MOL40636
-COC1(C2c3ccccc3CCN2C(=O)OC(C)(C)C)C(=O)C(c2ccccc2)=C1N(C)C MOL40637
-CCCCc1c(N(C)C)c(OC(C)=O)c(-c2cn(C)c3ccccc23)oc1=O MOL40638
-CCCCC1=C(C(=O)N2CCOCC2)C2(OCCO2)C1Cl MOL40639
-CCCCC1=C(C(=O)N2CCOCC2)C2(OCCO2)C1=O MOL40640
-CC(=O)CC1=C(OC(C)C)C2(OCCO2)C1O MOL40641
-C=C(C)CC1(O)C(=O)C(OCC)=C1OCC MOL40642
-C=C(C)CC1(O[Si](C)(C)C)C(=O)C(OCC)=C1OCC MOL40643
-C=C(C)CC1=C(OCC)C(OC)(OCC)C1=O MOL40644
-CC(=O)C=C1C(=O)C(CC(C)C)=C1CC(C)C MOL40645
-CC(C)OC1=C(CC2(C)OCCO2)C(=O)C12OCCO2 MOL40646
-C=C(C)CC1=C(C(=S)NCCO[Si](C)(C)C(C)(C)C)C(OCC)(OCC)C1=O MOL40647
-CC1(CC2=C(C(=O)NCCO[Si](C)(C)C(C)(C)C)C3(OCCO3)C2=O)OCCO1 MOL40648
-CCN(CC)c1c(N(CC)CC)c(=O)c1=O MOL40649
-O=C1C=C(C2=C(C3=CC(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 MOL40650
-CC1=C(C)C(=O)C(C2=CC(=O)C=CC2=O)=C(C2=CC(=O)C=CC2=O)C1=O MOL40651
-CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)C(C)=C(C)C2=O)=CC1=O MOL40652
-CC1=C(C)C(=O)C(C2=CC(=O)c3ccccc3C2=O)=C(C2=CC(=O)c3ccccc3C2=O)C1=O MOL40653
-CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)c3ccccc3C2=O)=CC1=O MOL40654
-COc1cc(C2=C(c3cc(OC)c4ccccc4c3OC)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 MOL40655
-CCCCC1C=Cn2c(=O)oc3c(OC(C)C)c(OC(C)C)c(O)c1c32 MOL40656
-CCCCC1C=Cn2c(=O)oc3c(OC(C)C)c(C)c(O)c1c32 MOL40657
-O=c1c(NCc2ccccc2)c(C2(c3ccccc3F)SCCCS2)c1=O MOL40658
-COc1ccccc1C1(c2c(OC(C)C)c(=O)c2=O)SCCCS1 MOL40659
-CC(C)Oc1c(C2(c3ccccc3O)SCCCS2)c(=O)c1=O MOL40660
-CC(C)Oc1c(C2(c3ccccc3)SCCCS2)c(=O)c1=O MOL40661
-COc1cc(OC)c(C2(c3c(OC(C)C)c(=O)c3=O)SCCCS2)cc1OC MOL40662
-COc1ccccc1C1(c2c(OC)c(=O)c2=O)SCCCS1 MOL40663
-COc1ccc(C(=O)Nc2cc(Cc3cc(NC(=O)c4ccc(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O.O[Na].[NaH] MOL40664
-C1=CSSC=CSS1 MOL40665
-C1=CSSC=CSSC=CSSC=CSS1 MOL40666
-CN1C(=O)CN(NC(=O)C2=C(O)c3ccc(Br)cc3S(=O)(O)=N2)C1=S MOL40667
-COC(=O)C1=C(O)c2ccc(Cl)cc2S(=O)(=O)N1C MOL40668
-C=CC1CN(C(=O)OCC)N(C(=O)OCC)C1CCc1ccccc1 MOL40669
-NS(=O)(=O)c1nn2c(Br)c(-c3ccccc3)nc2s1 MOL40670
-CCOC(=O)Cc1nc2sc(S(N)(=O)=O)nn2c1Br MOL40671
-O=c1c2c3c(sc2nc(CN2CCNCC2)n1-c1ccccc1)CCCC3 MOL40672
-CCN(CC)Cc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 MOL40673
-COc1c2cc([N+](=O)[O-])cc1CN(C(=O)C(F)(F)F)CCOCCN(C(=O)C(F)(F)F)C2 MOL40674
-COc1c2cc([N+](=O)[O-])cc1CNC(=O)CN1CCOCCOCCN(CCOCCOCC1)CC(=O)NC2 MOL40675
-CC(C)(C)c1cc(C(C)(C)C)c(P=C(Cl)Cl)c(C(C)(C)C)c1 MOL40676
-O=C(O)CN(CC(=O)O)C(C(=O)O)c1ccccc1 MOL40677
-O=C(O)c1cccc(OCCOc2cccc(C(=O)O)c2[N+](=O)[O-])c1[N+](=O)[O-] MOL40678
-CC(C)(C)[Si](C)(C)OCc1cccc(OCCOc2cccc(CO[Si](C)(C)C(C)(C)C)c2[N+](=O)[O-])c1[N+](=O)[O-] MOL40679
-O=CNc1ccccc1OCCOc1ccccc1NC=O MOL40680
-N#Cc1ccccc1OCCOc1ccccc1C#N MOL40681
-CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2N)c(N)c1 MOL40682
-CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2NC=O)c(NC=O)c1 MOL40683
-O=[N+]([O-])c1ccccc1OCCOc1ccccc1[N+](=O)[O-] MOL40684
-CCC12CN(C(=O)OC)C3C(Br)C1CCC(=O)C32 MOL40685
-CSC1=C(C(=O)N(COCC[Si](C)(C)C)c2ccccc2Br)CCC(C(C)(C)C)C1 MOL40686
-COc1ccc(C(C)=C2CCCN(Cc3ccccc3)C2)cc1 MOL40687
-NC(=S)NN=C1CCCC2CCCCC12 MOL40688
-O=C1CCC2(CC1CCSc1ccccc1)OCCO2 MOL40689
-C=C(C)C1(O[Si](C)(C)C)CCCCC1CC(Sc1ccccc1)Sc1ccccc1 MOL40690
-O=C1CCC2(CC1CC(Sc1ccccc1)Sc1ccccc1)OCCO2 MOL40691
-O=C1CCCCCC1CC(Sc1ccccc1)Sc1ccccc1 MOL40692
-COC(CC1CCCCC1(O)C(=CCO[Si](C(C)C)(C(C)C)C(C)C)Sc1ccccc1)OC MOL40693
-C=C(C)C1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1 MOL40694
-C=CC1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1 MOL40695
-O=C1CCC2(CC1CCS(=O)c1ccccc1)OCCO2 MOL40696
-COCC=CC1(O)CCCCC1CC(OC)OC MOL40697
-CC(C)(C)[Si](C)(C)OCC#CC1(O)CCCCC1CC(Sc1ccccc1)Sc1ccccc1 MOL40698
-O=S(c1ccccc1)C1CC2CC3(CCC21O)OCCO3 MOL40699
-COCC=CC1(O)CCCCC1CC(OC)OC MOL40700
-COCC#CC1(O)CCCCC1CC(OC)OC MOL40701
-CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCCC1 MOL40702
-C=CC1(O)CCCC=C1COCc1ccccc1 MOL40703
-CC(C)(C)[Si](C)(C)OC1(CCc2ccccc2OS(=O)(=O)C(F)(F)F)CCCC=C1COCc1ccccc1 MOL40704
-CN(C)N=C1C=C2CCC(O[Si](C)(C)C(C)(C)C)C2(C)CC1 MOL40705
-CC#CCCN(CC#N)Cc1ccccc1 MOL40706
-Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2CCC(Br)CC32)cc1 MOL40707
-CC(Br)C1CCC2c3[nH]c4ccccc4c3CCN2C1 MOL40708
-CCP(=O)(OC)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1 MOL40709
-Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)CCN2CC(C(C)Br)CCC32)cc1 MOL40710
-COP(C)(=O)C1=CCN(C(=O)OCC[Si](C)(C)C)CC1 MOL40711
-C=CCC1NCCC2=C1C(S(=O)(=O)c1ccc(C)cc1)c1ccccc12 MOL40712
-CC(Sc1ccccc1)=C1CCCN(Cc2ccccc2)C1.O=C(O)C(=O)O MOL40713
-CC(NC1CCCC1(O)C#Cc1ccc2c(c1)OCO2)c1ccccc1 MOL40714
-OC1(C#Cc2ccc3c(c2)OCO3)CCCC1NCc1ccccc1 MOL40715
-CC(c1ccccc1)N(CC#N)C1CCCC1(O)C=Cc1ccc2c(c1)OCO2 MOL40716
-Cl.O=C1CCCC2NCC(c3ccc4c(c3)OCO4)C12 MOL40717
-Cl.OC1CCCC2NCC(c3ccc4c(c3)OCO4)C12 MOL40718
-C(#CC12CCCC1NCO2)c1ccc2c(c1)OCO2 MOL40719
-N#CCN(Cc1ccccc1)C1CCCC1(O)C=Cc1ccc2c(c1)OCO2 MOL40720
-CC(c1ccccc1)N1COC2(C#Cc3ccc4c(c3)OCO4)CCCC12 MOL40721
-CC(c1ccccc1)C(CC#N)C1CCCC1(O)C#Cc1ccc2c(c1)OCO2 MOL40722
-CC(c1ccccc1)N1CC(c2ccc3c(c2)OCO3)C2C(=O)CCCC21 MOL40723
-N#CCN(Cc1ccccc1)C1CCCC1(O)C#Cc1ccc2c(c1)OCO2 MOL40724
-CC(C)(C)OC(=O)NCCCCCCC(=O)Cc1ccccc1 MOL40725
-CC(C)(C)OCC=C1C(=O)OC2CC(O[Si](C)(C)C(C)(C)C)CC12 MOL40726
-CC(C)(C)OC=C1C(=O)OC2CC(O[Si](C)(C)C(C)(C)C)CC12 MOL40727
-C=C(C)C1(O)CCCC1NC(=O)OC(C)(C)C MOL40728
-COc1cc2c(cc1OC)C1c3ccccc3CN1CC2.Cl MOL40729
-Cc1cc[n+]([Pt-2]([OH+][N+](=O)[O-])([OH+][N+](=O)[O-])[n+]2ccc(C)cc2)cc1 MOL40730
-C#CC(O)C=CC(O)CCCC(O)CC#CC(O)C#CC(O)CCCC(O)C=CCCCCCC(=O)CCCCCCCCCCCCCC(O)C(O)C#CC(=O)O MOL40731
-C#CC(O)C=CC(O)CCCC(O)CC#CC(O)C#CCCCCC(O)C=CCCCCCC(=O)CCCCCCCCCCCCCC(O)C(O)C#CC(=O)O MOL40732
-C#CC(O)C=CC(O)CCCC(O)CC#CC(O)C#CC(O)CCCC(O)C=CCCCC(=O)CCCCCCCCCCCCCCCC(O)C(O)C#CC(=O)O MOL40733
-C#CC(O)C=CC(O)CCCC(O)CC#CC(O)C#CCCCCC(O)C=CCCCC(=O)CCCCCCCCCCCCCCCC(O)C(O)C#CC(=O)O MOL40734
-C#CC(O)C=CC(O)CCCC(O)CC#CC(O)C#CCCCCC(O)C=CCCCC(O)C=CCCCCCCCCCCCCCC(O)C(O)C#CC(=O)O MOL40735
-CCn1c2ccccc2c2cc(N=Nc3ccc(C#N)cc3)ccc21 MOL40736
-CCOC(=O)c1cnn2c1ncc1c(=O)n(NC(N)=O)ccc12 MOL40737
-Cc1cc2ncc3c(=O)n(NS(=O)(=O)c4ccc(N)cc4)ccc3n2n1 MOL40738
-CCCn1c(=O)c(N2CCN(c3ccccc3)CC2)nc2sc3ccccc3c21 MOL40739
-Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)c(Cl)c2Cl)nc2sccn12 MOL40740
-Cl.N=C(N)NN=Cc1c(-c2ccc(Cl)cc2)nc2sc(Cl)cn12 MOL40741
-COC(=O)C=CC(C#N)(C#N)N=Cc1cccc(OC)c1 MOL40742
-COC(=O)C=CC(C#N)(C#N)N=Cc1ccc(Br)cc1 MOL40743
-COC(=O)C=CC(C#N)(C#N)N=Cc1cccs1 MOL40744
-COC(=O)C=CC(C#N)(C#N)N=Cc1sccc1C MOL40745
-COC(=O)C=CC(C#N)(C#N)N=Cc1ccc(Br)s1 MOL40746
-COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)NC(=O)NC3=O)cc1 MOL40747
-O=C1CC(c2ccccc2)C2(C(=O)NC(=S)NC2=O)C(c2ccccc2)C1 MOL40748
-Cc1ccc(C2CC(=O)CC(c3ccc(C)cc3)C23C(=O)NC(=O)NC3=O)cc1 MOL40749
-O=C1CC(c2ccc(Cl)cc2)C2(C(=O)NC(=O)NC2=O)C(c2ccc(Cl)cc2)C1 MOL40750
-CN(C)c1ccc(C2CC(=O)CC(c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 MOL40751
-Cc1ccccc1C1CC(=O)CC(c2ccccc2C)C12C(=O)NC(=O)NC2=O MOL40752
-COc1ccc(C2CC(=O)CC(c3ccc(OC)cc3)C23C(=O)NC(=S)NC3=O)cc1 MOL40753
-COc1ccccc1C1CC(=O)CC(c2ccccc2OC)C12C(=O)NC(=S)NC2=O MOL40754
-CC1(C)CC(=O)C2=C(C1)OC1(CC2c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 MOL40755
-O=C(NN=Cc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccccc1 MOL40756
-CN(C)c1ccc(C=NNC(=O)c2ccccc2Nc2ccccc2C(=O)NN=Cc2ccc(N(C)C)cc2)cc1 MOL40757
-O=C(NN=Cc1ccc(Cl)cc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1 MOL40758
-COc1ccc(C=NNC(=O)c2ccccc2Nc2ccccc2C(=O)NN=Cc2ccc(OC)cc2)cc1 MOL40759
-COc1ccc(C=NNC(=O)c2ccccc2Nc2ccccc2C(=O)NN=Cc2ccc(OC)c(OC)c2)cc1OC MOL40760
-O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1 MOL40761
-O=C(NN=CC=Cc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NN=CC=Cc1ccccc1 MOL40762
-O=C(NN=Cc1ccccc1O)c1ccccc1Nc1ccccc1C(=O)NN=Cc1ccccc1O MOL40763
-CC(=NNC(=O)c1ccccc1Nc1ccccc1C(=O)NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1 MOL40764
-O=C(NN1C(=O)C=CC1=O)c1ccccc1Nc1ccccc1C(=O)NN1C(=O)C=CC1=O MOL40765
-O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Nc1ccccc1C(=O)NN1C(=O)c2ccccc2C1=O MOL40766
-O=C(NNC(=S)Nc1ccccc1)c1ccccc1Nc1ccccc1C(=O)NNC(=S)Nc1ccccc1 MOL40767
-CCNC(=S)NNC(=O)c1ccccc1Nc1ccccc1C(=O)NNC(=S)NCC MOL40768
-c1ccc(Nc2nnc(-c3ccccc3Nc3ccccc3-c3nnc(Nc4ccccc4)s3)s2)cc1 MOL40769
-CCNc1nnc(-c2ccccc2Nc2ccccc2-c2nnc(NCC)s2)s1 MOL40770
-Nn1c(-c2ccccc2Nc2ccccc2-c2n[nH]c(=S)n2N)n[nH]c1=S MOL40771
-CC(=O)N1N=C(c2ccccc2Nc2ccccc2C2=NN(C(C)=O)C(c3ccccc3)O2)OC1c1ccccc1 MOL40772
-S=c1[nH]nc(-c2ccccc2Nc2ccccc2-c2n[nH]c(=S)n2-c2ccccc2)n1-c1ccccc1 MOL40773
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL40774
-CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCC[n+]2ccccc2)cc1.[Br-] MOL40775
-O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1.[Br-] MOL40776
-O=C(O)CCCC[n+]1ccccc1.[Br-] MOL40777
-O=C(O)CCCCC[n+]1ccccc1.[Br-] MOL40778
-O=C(O)CC[n+]1ccccc1.[Br-] MOL40779
-O=C(O)C[n+]1ccccc1.[Br-] MOL40780
-O=C(O)CCCCCCC[n+]1ccccc1.[Br-] MOL40781
-CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccccc4)OC23)C(O)C(O)C1O MOL40782
-CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(COC(=O)C=Cc4ccc(O)cc4)OC23)C(O)C(O)C1O MOL40783
-COc1cc(C=CC(=O)OCC23OC2C(OC2OC(C)C(O)C(O)C2O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1O MOL40784
-CCCCCCCCCCCC(=O)OCC(O)CO MOL40785
-Cc1cccnc1NC=C1C(=O)NC(=O)N(C)C1=O MOL40786
-CN1C(=O)NC(=O)C(=CNc2ncccn2)C1=O MOL40787
-c1c[nH]c(-c2ccc(-c3ccc[nH]3)c3nsnc23)c1 MOL40788
-c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6nsnc56)[nH]4)c4nsnc34)[nH]2)c2nsnc2c1 MOL40789
-CC1=C2C(=O)NN=C2CCN1c1ccc(Br)cc1 MOL40790
-NC(=S)Nc1ccc2c(c1)oc1ccccc12 MOL40791
-S=C(Nc1ccc2c(c1)oc1ccccc12)c1cccnc1 MOL40792
-Cc1nn(-c2ccccc2)c2nc3ccc(Cl)cc3c(-c3ccccc3)c12 MOL40793
-Cn1nc(-c2ccccc2)c2c(-c3ccccc3)c3cc(Cl)ccc3nc21 MOL40794
-Clc1ccc2nc3c(c(-c4ccccc4)nn3-c3ccccc3)c(-c3ccccc3)c2c1 MOL40795
-O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccccc3)C(=O)C12 MOL40796
-Cc1cnc2sn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 MOL40797
-COc1ccc(-n2sc3ncc(C)cc3c2=O)cc1 MOL40798
-CCCCc1ccc(-n2sc3ncc(C)cc3c2=O)cc1 MOL40799
-O=C1c2cc([N+](=O)[O-])cnc2S(=O)(=O)N1c1ccc(Oc2ccccc2)cc1 MOL40800
-COc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1 MOL40801
-COc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1 MOL40802
-CCCCc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1 MOL40803
-CC1(C)OC2COC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1 MOL40804
-CC1(C)OC2COC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1 MOL40805
-CC1(C)OC2COC3(C(O)CCO)OC(C)(C)OC3C2O1 MOL40806
-O=[N+]([O-])c1ccc(NS(=O)(=O)C(F)(F)F)cc1 MOL40807
-N#Cc1ccc(N2CCOCC2)cc1 MOL40808
-C=CCC(N)C(=O)N(C)C(C)C(O)c1ccccc1 MOL40809
-COc1cc(C(C)=O)cc(C(=O)N(C(C)C)C(C)C)c1[Si](C)(C)C MOL40810
-Brc1ccc(-c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1 MOL40811
-COc1ccc(N(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1 MOL40812
-COc1ccc(-c2nc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 MOL40813
-O=c1oc(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(Br)cc1 MOL40814
-Oc1ccc2ccccc2c1-c1c(Nc2ccccc2)ccc2ccccc12 MOL40815
-COc1ccc(Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1 MOL40816
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(C(=O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL40817
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL40818
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)OCc6ccccc6[N+](=O)[O-])c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)OCc6ccccc6[N+](=O)[O-])c5)CCC4(C)C3CCC12C MOL40819
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)OCc6cccc([N+](=O)[O-])c6)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)OCc6cccc([N+](=O)[O-])c6)c5)CCC4(C)C3CCC12C MOL40820
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)OCc6ccc([N+](=O)[O-])cc6)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)OCc6ccc([N+](=O)[O-])cc6)c5)CCC4(C)C3CCC12C MOL40821
-CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL40822
-CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O MOL40823
-CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O MOL40824
-COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C MOL40825
-COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C MOL40826
-COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C MOL40827
-COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C MOL40828
-CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(O)(CCC(CO)COC6OC(CO)C(O)C(O)C6O)C(C)C54)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O MOL40829
-CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C MOL40830
-CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O MOL40831
-CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C MOL40832
-O=C(c1c(O)cc(O)cc1O)c1c(-c2ccc(O)cc2)oc2cc(O)c3c(c12)OC(c1ccc(O)cc1)C(O)C3 MOL40833
-O=C1c2c(O)cc(O)cc2OC12c1c(cc(O)c3c1OC(c1ccc(O)cc1)C(O)C3)OC2c1ccc(O)cc1 MOL40834
-O=c1c(-c2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 MOL40835
-O=c1c(-c2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 MOL40836
-COc1cc(CC2COC(=O)C2(O)Cc2ccc(O)c(OC)c2)ccc1O MOL40837
-C=CCC1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O MOL40838
-CC(C)=CCC1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O MOL40839
-CCOC1=C(c2ccccc2)Oc2cccnc2-n2cccc21 MOL40840
-Nc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1 MOL40841
-Clc1nc(Cl)nc(NC23CC4CC(CC(C4)C2)C3)n1 MOL40842
-Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 MOL40843
-C1C2CC3CC1CC(Nc1nc(NC45CC6CC(CC(C6)C4)C5)nc(NC45CC6CC(CC(C6)C4)C5)n1)(C2)C3 MOL40844
-CN(C)c1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(C)C)n1 MOL40845
-CN(C)c1nc(N(C)C)nc(N(C)C23CC4CC(CC(C4)C2)C3)n1 MOL40846
-S=C(Nc1ccc(Br)cn1)NC12CC3CC(CC(C3)C1)C2 MOL40847
-CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc([N+](=O)[O-])cc4c(=O)c1c23 MOL40848
-CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccc(N)cc4c(=O)c1c23 MOL40849
-Cl.NC1CNC(=O)c2cscc21 MOL40850
-CC(=O)n1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40851
-O=C(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40852
-O=C(c1ccc(Br)cc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40853
-O=C(c1ccco1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40854
-COc1cc(C(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc(OC)c1OC MOL40855
-O=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40856
-O=S(=O)(c1ccc(Br)cc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40857
-Cc1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 MOL40858
-O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccc(Br)cc3c3nc4ccccc4nc32)cc1 MOL40859
-CCOC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40860
-CCCCNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40861
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)Nc1ccccc1 MOL40862
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)N1CCOCC1 MOL40863
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NCc1ccccc1 MOL40864
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NC1CCCCC1 MOL40865
-NNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 MOL40866
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NN=Cc1ccccc1 MOL40867
-S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)o1 MOL40868
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=S)NC1CCCCC1 MOL40869
-S=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1 MOL40870
-O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=O)NC1CCCCC1 MOL40871
-O=c1[nH]nc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)n1C1CCCCC1 MOL40872
-NS(=O)(=O)c1nnc(NC(=O)CCC(=O)O)s1 MOL40873
-NS(=O)(=O)c1nnc(NC(=O)C=CC(=O)O)s1 MOL40874
-NS(=O)(=O)c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 MOL40875
-NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 MOL40876
-NS(=O)(=O)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 MOL40877
-COc1cc(C(=O)Nc2nnc(S(N)(=O)=O)s2)cc(OC)c1OC MOL40878
-CC(C)(C)OC(=O)Nc1nnc(S(N)(=O)=O)s1 MOL40879
-NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 MOL40880
-NS(=O)(=O)c1nnc(NSc2ccc([N+](=O)[O-])cc2)s1 MOL40881
-Cc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 MOL40882
-NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2C(=O)O)s1 MOL40883
-NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 MOL40884
-NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 MOL40885
-NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1 MOL40886
-Cn1nc(S(N)(=O)=O)sc1=NC(N)=S MOL40887
-CCN(CC)C(=S)SS(=O)(=O)c1ccc(C)cc1 MOL40888
-CCN(CC)C(=S)SS(=O)(=O)c1ccc(NC(C)=O)cc1 MOL40889
-CCN(CC)C(=S)SS(=O)(=O)c1ccc(N)cc1 MOL40890
-CCN(CC)C(=S)SS(=O)(=O)c1cccc(N)c1 MOL40891
-CCN(CC)C(=S)SS(=O)(=O)c1ccc([N+](=O)[O-])cc1 MOL40892
-CCN(CC)C(=S)SS(=O)(=O)c1ccccc1[N+](=O)[O-] MOL40893
-CCN(CC)C(=S)SS(=O)(=O)c1ccccc1C(=O)O MOL40894
-CCN(CC)C(=S)SS(=O)(=O)c1ccc(Cl)cc1 MOL40895
-CCN(CC)C(=S)SS(=O)(=O)c1ccc(F)cc1 MOL40896
-CCN(CC)C(=S)SNCCc1ccc(S(N)(=O)=O)cc1 MOL40897
-COc1cccc2c1CCc1cc3c(N)nc(N)nc3nc1-2 MOL40898
-Cc1c2c(n(CCc3ccccc3)c1C)N(C)N=C(C#N)S2(=O)=O MOL40899
-Cn1c(=O)oc2nc(-c3ccccc3)cc(C(F)(F)F)c21 MOL40900
-COC(=O)Cn1c(=O)oc2nc(-c3ccccc3)cc(C(F)(F)F)c21 MOL40901
-CC1(C)OC(C(O)CO)C(O)C(C2SCCCS2)O1 MOL40902
-OCC(O)C(O)C(O)C(O)C1SCCCS1 MOL40903
-CC(=O)OCC(OC(C)=O)C(OC(C)=O)C1OC(C)(C)OC1C1SCCCS1 MOL40904
-COC(=O)C1N2C(=S)N(c3ccccc3)C(=O)C2SC1(C)C MOL40905
-CN1C(=O)C2N(CSC2(C)C)C1=S MOL40906
-Cc1ncc(COP(=O)(O)O)c(C=C2SC(=S)NC2=O)c1O.[NaH] MOL40907
-CCOP(=O)(OCC)C12CC(C)C=CC1COC2=O MOL40908
-C=C1CN(Cc2ccccc2)C2CCCCCC(C#N)C12 MOL40909
-COc1ccc2c(c1)C(=O)CC1c3cnccc3C(=O)N21 MOL40910
-NC(c1ccccc1)(C(F)(F)F)P1(=O)OC(=O)c2ccccc2O1 MOL40911
-COC1OC(Cn2cc([N+](=O)[O-])nc2C)C(O)C(O)C1O MOL40912
-COC1OC(Cn2c(C)nc(Br)c2Br)C(O)C(O)C1O MOL40913
-Cc1nc(C(=Nn2cnnc2)Nc2ccc(Br)cc2)no1 MOL40914
-CNC(=Nn1cnnc1)OC MOL40915
-CC1=CSC(O)(c2ccc(Cl)cc2)c2noc(=O)n21 MOL40916
-COC1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O MOL40917
-CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)OCc2ccccc2Cl)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O MOL40918
-CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C2CCCN2CC(O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(C)CC)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O MOL40919
-CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)COc2ccc(CC(NC(=O)OC3CCOC3)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)cc2)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O MOL40920
-CCC1NC(=O)C(C(O)C(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(CCCCNC(=O)COc2ccc(Sc3c(O)cc(-c4ccccc4)oc3=O)c(C(C)(C)C)c2)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CO)N(C)C1=O MOL40921
-C=CCOc1ccc(Sc2c(O)cc(-c3ccccc3)oc2=O)c(C(C)(C)C)c1 MOL40922
-CCOC(=O)COc1ccc(CC(NC(=O)OC2CCOC2)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 MOL40923
-CC(C)CC(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccccc1 MOL40924
-COc1cc(C=C2SC(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC MOL40925
-COc1cc(C=C2SC(c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC MOL40926
-COc1cc(C=C2SC(c3ccccc3)N(c3ccccc3Cl)C2=O)cc(OC)c1OC MOL40927
-COc1cc(C=C2SC(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC MOL40928
-COc1cc(C=C2SC(c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1OC MOL40929
-COc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1c1ccccc1 MOL40930
-COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2c2ccccc2)cc1 MOL40931
-COc1cc(C=C2SC(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc(OC)c1OC MOL40932
-COc1cc(C=C2SC(c3ccccc3)N(c3cccc(NC(C)=O)c3)C2=O)cc(OC)c1OC MOL40933
-COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)SC1c1ccccc1 MOL40934
-COc1cc(C=C2SC(c3ccccc3)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC MOL40935
-COc1cc(C=C2SC(c3ccccc3)N(Cc3ccccc3)C2=O)cc(OC)c1OC MOL40936
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1cccc(Cl)c1 MOL40937
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1 MOL40938
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccccc1Cl MOL40939
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1ccc(Cl)cc1 MOL40940
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 MOL40941
-COc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1 MOL40942
-CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2c2ccccc2)cc1 MOL40943
-CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2c2ccccc2)c1 MOL40944
-COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1c1ccccc1 MOL40945
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)SC(c2ccccc2)N1c1cc(Cl)ccc1Cl MOL40946
-COc1cc(C=C2C(=O)N(c3cccc(Cl)c3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40947
-COc1cc(C=C2C(=O)N(c3ccccc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40948
-COc1cc(C=C2C(=O)N(c3ccccc3Cl)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40949
-COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40950
-COc1cc(C=C2C(=O)N(c3cccc([N+](=O)[O-])c3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40951
-COc1ccccc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)C1c1ccccc1 MOL40952
-COc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)S(=O)(=O)C2c2ccccc2)cc1 MOL40953
-COc1cc(C=C2C(=O)N(c3ccc(NC(C)=O)cc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40954
-COc1cc(C=C2C(=O)N(c3cccc(NC(C)=O)c3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40955
-COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)S(=O)(=O)C1c1ccccc1 MOL40956
-COc1cc(C=C2C(=O)N(c3cc(Cl)ccc3Cl)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40957
-COc1cc(C=C2C(=O)N(Cc3ccccc3)C(c3ccccc3)S2(=O)=O)cc(OC)c1OC MOL40958
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cccc(Cl)c1 MOL40959
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1ccc(Cl)cc1 MOL40960
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1 MOL40961
-COc1ccccc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1 MOL40962
-COc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)cc1 MOL40963
-CC(=O)Nc1ccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)cc1 MOL40964
-CC(=O)Nc1cccc(N2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)C2c2ccccc2)c1 MOL40965
-COc1ccc(NC(C)=O)cc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C1c1ccccc1 MOL40966
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1c1cc(Cl)ccc1Cl MOL40967
-O=C1C(=Cc2cccc(Oc3ccccc3)c2)S(=O)(=O)C(c2ccccc2)N1Cc1ccccc1 MOL40968
-COc1ccccc1N1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)SC1c1ccccc1 MOL40969
-O=C(C=Cc1ccc(O)c(O)c1)OCCOC(=O)C=Cc1ccc(O)c(O)c1 MOL40970
-CC(=O)Oc1ccc(C=CC(=O)OCCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O MOL40971
-CC(=O)Oc1ccc(C=CC(=O)OC2CCCCC2OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O MOL40972
-CC(=O)Oc1ccc(C=CC(=O)NCCOC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O MOL40973
-CC(=O)Oc1ccc(C=CC(=O)OC(C)C(C)OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O MOL40974
-O=C(C=Cc1ccc(O)c(O)c1)OC1CCCCC1OC(=O)C=Cc1ccc(O)c(O)c1 MOL40975
-O=C(C=Cc1ccc(O)c(O)c1)OCCCOC(=O)C=Cc1ccc(O)c(O)c1 MOL40976
-CC(OC(=O)C=Cc1ccc(O)c(O)c1)C(C)OC(=O)C=Cc1ccc(O)c(O)c1 MOL40977
-CC(=O)Oc1ccc(C=CC(=O)OC(C(=O)O)C(OC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O MOL40978
-O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O MOL40979
-CC(=O)Oc1ccc(CCC(=O)OC(C(=O)O)C(OC(=O)CCc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O MOL40980
-O=C(C=Cc1ccc(O)c(O)c1)NCCOC(=O)C=Cc1ccc(O)c(O)c1 MOL40981
-O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O MOL40982
-COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1O MOL40983
-CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL40984
-CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL40985
-CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL40986
-COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)ccc1O MOL40987
-COc1cc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)ccc1O MOL40988
-COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)n(C3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)c(=S)c2C#N)cc1O MOL40989
-CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)c1-c1ccccc1 MOL40990
-CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL40991
-CCOC(=O)c1c(-c2ccc(OC)c(O)c2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL40992
-CCOC(=O)c1c(-c2ccc(O)c(OC)c2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1-c1ccccc1 MOL40993
-COc1ccc(-c2c(C(=O)Nc3ccccc3)c(-c3ccccc3)n(C3OC(CO)C(O)C(O)C3O)c(=S)c2C#N)cc1 MOL40994
-CN(CCNC(=O)c1cn(C)c2c1ccc1ccccc12)CCNC(=O)c1cn(C)c2c1ccc1ccccc12 MOL40995
-CN(CCCNC(=O)c1cn(C)c2c1ccc1ccccc12)CCCNC(=O)c1cn(C)c2c1ccc1ccccc12 MOL40996
-COc1ccc2c(ccc3c(C(=O)NCCN(C)CCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1 MOL40997
-COc1ccc2c(ccc3c(C(=O)NCCCN(C)CCCNC(=O)c4cn(C)c5c4ccc4cc(OC)ccc45)cn(C)c32)c1 MOL40998
-CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c2c1ccc1sccc12 MOL40999
-NC(=O)NC(=O)c1cccs1 MOL41000
-COc1cc2c(cc1OCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O MOL41001
-COc1cc2c(cc1OCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O MOL41002
-COc1cc2c(cc1OCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O MOL41003
-COc1cc2c(cc1OCCCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=CC1CCCN1C2=O MOL41004
-Cc1ccc2c(c1)C(=O)N1CCCC1C=N2 MOL41005
-CCc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1CS(=O)(=O)CC2 MOL41006
-O=S(=O)(Cc1ccccc1)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1 MOL41007
-COc1ccc(S(=O)(=O)c2nnc(S(=O)(=O)Cc3ccccc3)s2)cc1 MOL41008
-C=CCCCCCCC#CCCCCCCCCCCC1C(=O)OC(C)C1O.CCCCCCCCC#CCCCCCCCCCCC1C(=O)OC(C)C1O MOL41009
-Cc1ccccc1Nc1cn(COCc2ccccc2)c(=O)[nH]c1=O MOL41010
-Cc1cccc(Nc2cn(COCc3ccccc3)c(=O)[nH]c2=O)c1 MOL41011
-Cc1ccc(Nc2cn(COCc3ccccc3)c(=O)[nH]c2=O)cc1 MOL41012
-O=c1[nH]c(=O)n(COCc2ccccc2)cc1Nc1ccc(Br)cc1 MOL41013
-O=c1[nH]c(=O)n(CCOc2ccccc2)cc1Nc1ccccc1 MOL41014
-O=c1c(Nc2ccccc2)cn(CCOc2ccccc2)c(=O)n1CCOc1ccccc1 MOL41015
-Cc1ccccc1Nc1cn(CCOc2ccccc2)c(=O)n(CCOc2ccccc2)c1=O MOL41016
-Cc1cccc(Nc2cn(CCOc3ccccc3)c(=O)[nH]c2=O)c1 MOL41017
-Cc1cccc(Nc2cn(CCOc3ccccc3)c(=O)n(CCOc3ccccc3)c2=O)c1 MOL41018
-O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Nc1ccccc1 MOL41019
-O=c1c(Nc2ccccc2)cn(CCOc2ccc(Cl)cc2)c(=O)n1CCOc1ccc(Cl)cc1 MOL41020
-Cc1ccc(OCCn2cc(Nc3ccccc3)c(=O)[nH]c2=O)cc1 MOL41021
-Cc1ccc(OCCn2cc(Nc3ccccc3)c(=O)n(CCOc3ccc(C)cc3)c2=O)cc1 MOL41022
-CCCCCCC=[N+]([O-])CC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41023
-CC(C)(C)[Si](C)(C)OC1C(=O)C(CO)OC1n1ccc(=O)[nH]c1=O MOL41024
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=CCO MOL41025
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12NC(C(=O)O)CS2 MOL41026
-CCc1c(Cc2ccccc2)n(COCC[Se]c2ccccc2)c(=O)[nH]c1=O MOL41027
-Cc1cn(C2CC(N(O)C(=O)Nc3ccccc3)C(CO)O2)c(=O)[nH]c1=O MOL41028
-Cc1cn(C2CC(N3C(=O)c4ccccc4C3=O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL41029
-C=CCC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL41030
-CCOP(=O)(OCC)C(C1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N(C)O MOL41031
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(CC=[N+]([O-])CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41032
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CCN(O)CC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41033
-O=c1ccn(C2OC(CN(O)CCC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3O)C(O)C2O)c(=O)[nH]1 MOL41034
-Cc1cn(C2OC3CN(O)C(C)C3(O)C2O)c(=O)[nH]c1=O MOL41035
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(CNC(=O)N(O)C3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL41036
-CCc1c(Cc2ccccc2)n(COCCCO)c(=O)[nH]c1=O MOL41037
-CCc1c(Cc2ccccc2)n(COCCSc2ccccc2)c(=O)[nH]c1=O MOL41038
-Cc1cn(C2CC(NC(=O)N(C)O)C(CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O MOL41039
-CC(=O)SCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1=NO MOL41040
-Cc1cn(C2CC(O)C(CNC(=O)N(O)C3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)[nH]c1=O MOL41041
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=[N+](C)[O-])O2)c(=O)[nH]c1=O MOL41042
-Cc1cn(C2CC3C(COC(CCN=[N+]=[N-])N3O)O2)c(=O)[nH]c1=O MOL41043
-Cc1cn(C2CC3C(COC(C(Cl)Cl)N3O)O2)c(=O)[nH]c1=O MOL41044
-Cc1cn(C2CC(NC(=O)N(C)O)C(CO)O2)c(=O)[nH]c1=O MOL41045
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C12CCN(O)CO2 MOL41046
-CCc1c(Cc2cc(C)cc(C)c2)n(COCCSc2ccccc2)c(=O)[nH]c1=O MOL41047
-Cc1cn(C2CC3C(COC(CCc4ccccc4)N3O)O2)c(=O)[nH]c1=O MOL41048
-Cc1cn(C2CC(O)C(CN(O)CCC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)[nH]c1=O MOL41049
-COc1ccc(COC2C(C[N+]([O-])=NNc3ccc([N+](=O)[O-])cc3)OC3OC(C)(C)OC32)cc1 MOL41050
-CCCCC(C)C=C1CN2CCCC2C(C)(O)C1O MOL41051
-COC(=O)C1C(=O)N(C)C(=O)N2CCCC12 MOL41052
-CN1C(=O)CC2CCCN2C1=O MOL41053
-Br.CC(O)C1(c2ccccc2)CC2(CCN(C)CC2)OC1C MOL41054
-C=CC1(C)OC2(CCN(C(=O)OCC)CC2)OC1C MOL41055
-CCOC(=O)N1CCC2(CC1)CC(Sc1ccccc1)(C(C)=O)C(C)O2 MOL41056
-CCOC(=O)N1CCC2(CC1)CC(C(C)=O)(c1ccccc1)C(C)O2 MOL41057
-CCOC(=O)N1CCC2(CC1)CC(C)(C(C)=O)C(C)O2 MOL41058
-CC(C)[Si](OC1=C(C(=O)N(C)c2ccccc2Cl)CCCC1)(C(C)C)C(C)C MOL41059
-CC(C)[Si](CC1=CCCCC12C(=O)N(COCC[Si](C)(C)C)c1ccccc12)(C(C)C)C(C)C MOL41060
-CC(C)[Si](OC1=C(C(=O)N(C)c2cccc(Cl)c2)CCCC1)(C(C)C)C(C)C MOL41061
-CC(C)[Si](OC1=C(C(=O)Nc2ccccc2Cl)CCCCC1)(C(C)C)C(C)C MOL41062
-CC(C)[Si](OC1=CCCCCC12C(=O)N(C)c1ccccc12)(C(C)C)C(C)C MOL41063
-CC1(C)OC(CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)C(CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1 MOL41064
-CC1(C)OC(CP(c2cccc3ccccc23)c2cccc3ccccc23)C(CP(c2cccc3ccccc23)c2cccc3ccccc23)O1 MOL41065
-COC(=O)C1OC(C)(c2ccccc2)OC1C(=O)OC MOL41066
-CC1(C)OC(CP(c2ccccc2)c2ccccc2)C(CP(c2ccccc2)c2ccccc2)O1 MOL41067
-OCC(CCc1ccccc1I)C1=CCC2(CC1)OCCO2 MOL41068
-COC(=O)C(Cc1ccccc1I)C1=CCC2(CC1)OCCO2 MOL41069
-COC(=O)C(CCc1ccccc1I)C1=CCC2(CC1)OCCO2 MOL41070
-CCC1=CC(OCc2ccccc2)C(CCN(Cc2ccccc2)C(=O)OCc2ccccc2)C1 MOL41071
-CCC1(O)CC(CCN(Cc2ccccc2)C(=O)OCc2ccccc2)C(OCc2ccccc2)C1O MOL41072
-CCC1(O)CC2CC(=O)OC2C1O MOL41073
-Cc1ccc(Cc2cc(N3CCN(c4cccc(Cl)c4)CC3)nnc2C)cc1 MOL41074
-CCCCCCc1nn2c(-c3ccc(C)cc3)nnc2s1 MOL41075
-CCCCCCCCCc1nn2c(Cc3ccccc3)nnc2s1 MOL41076
-CCOP(=O)(OCC)C(Nc1ccc(C(=O)O)cc1)c1ccc(C(Nc2ccc(C(=O)O)cc2)P(=O)(OCC)OCC)cc1 MOL41077
-COc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)C1=N MOL41078
-Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2=N)c1C MOL41079
-C=CCc1cccc(C(=O)C=C(O)C=Cc2ccccc2Cl)c1O MOL41080
-COC(=O)C1=C(C(=O)OC)c2cc(OC)ccc2C(C(=S)N(C)C)S1 MOL41081
-CCCN(CCCc1ccccc1)CCc1ccc2[nH]c(=S)[nH]c2c1 MOL41082
-CCCN(CCc1ccc(-c2ccccc2)cc1)CCc1ccc2nn[nH]c2c1 MOL41083
-CCOC(=O)C1(C(C)=O)CC(C)=C(C)CS1=O MOL41084
-COc1ccc(N2C(=O)C3CC4=CC(=O)CC4C32)cc1 MOL41085
-CC(C)(C)c1ccc(-c2nnc(-c3cc(C#N)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1 MOL41086
-COC(=O)C1=C(C(=O)OC)C(N(C)C)C(C(=O)OC)=C(C(=O)OC)S1 MOL41087
-CN(CCN)C(CSSCC(c1ccccc1O)N(C)CCN)c1ccccc1O MOL41088
-CCOC(=O)c1cc(=O)oc2c1N(C)c1ncccc1N2 MOL41089
-CCOC(=O)C1CC(C(=O)c2ccccc2)N2N=C(c3ccc(Br)cc3)C=CC12 MOL41090
-O=c1oc2ccccc2c(-c2ccc(O)cc2)c1Oc1ccccc1 MOL41091
-O=c1oc2ccccc2c(-c2ccc(O)cc2)c1Oc1ccc(Cl)cc1 MOL41092
-COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccccc3)c(=O)oc2c1 MOL41093
-COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1 MOL41094
-CN(C)CCOc1ccc(-c2c(Oc3ccccc3)c(=O)oc3ccccc23)cc1 MOL41095
-CN(C)CCOc1ccc(-c2c(Oc3ccc(Cl)cc3)c(=O)oc3ccccc23)cc1 MOL41096
-COc1ccc2c(-c3ccc(OCCN(C)C)cc3)c(Oc3ccccc3)c(=O)oc2c1 MOL41097
-COc1ccc2c(-c3ccc(OCCN(C)C)cc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1 MOL41098
-CCOC1OC(CO[Si](C)(C)C(C)(C)C)C(O)CC1n1ccc(=O)[nH]c1=O MOL41099
-Cc1cn(C2CC(O)C(CO[Si](C)(C)C(C)(C)C)OC2OC(C)C)c(=O)[nH]c1=O MOL41100
-CCOC1OC(COC(=O)C(C)(C)C)C(O)CC1n1cc(C)c(=O)[nH]c1=O MOL41101
-CCOC1OC(CO)C(O)CC1n1ccc(=O)[nH]c1=O MOL41102
-CC(C)OC1OC(CO)C(O)CC1n1cc(F)c(=O)[nH]c1=O MOL41103
-CCOC(=O)C1CC2COC(c3ccccc3)N2C1=O MOL41104
-O=C(c1ccccc1)C1CC2COC(c3ccccc3)N2C1=O MOL41105
-O=C1CCC2COC(c3ccccc3)N12 MOL41106
-O=C1C(Cc2ccccc2)CC2COC(c3ccccc3)N12 MOL41107
-Nn1c(SCC(=O)O)nc2ccccc2c1=O MOL41108
-NC(=O)CSc1nc2ccccc2c(=O)n1N MOL41109
-CCOC(=O)CSc1nc2ccccc2c(=O)n1N MOL41110
-Nn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O MOL41111
-NNC(=O)CSc1nc2ccccc2c(=O)n1N MOL41112
-Nn1c(=S)[nH]c2ccccc2c1=O MOL41113
-CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])O2)cc1F MOL41114
-CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(OC(C)=O)C(COP(=O)(O)OCC3CCC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)O3)O2)cc1F MOL41115
-CCCCCCCCCCCCCCCCCCNc1nc(=O)n(C2CC(O)C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)cc1F MOL41116
-CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1CCC(n2ccc(NC(=O)CCCCCCCCCCCCCCC)nc2=O)O1)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL41117
-CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC)C(O)C2O)c(=O)n1 MOL41118
-CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(CO)C(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C2O)c(=O)n1 MOL41119
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)CCC4(C)C3CCC12C MOL41120
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41121
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6[N+](=O)[O-])c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41122
-Cc1cc(Cc2cc(C)c(O)c(Br)c2)cc(Br)c1O MOL41123
-COC(=O)c1cc(C(=CCCCCO)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41124
-COc1c(Cl)cc(C(=CCCCC(=O)O)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O MOL41125
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc([N+](=O)[O-])c6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41126
-Nc1ncnc2c1ccn2CC#CCO MOL41127
-Nc1ncnc2c1ccn2CC=CCO MOL41128
-Nc1ncnc2c1ccn2CC=CCO MOL41129
-Nc1ncnc2c1ccn2CC=C(CO)CO MOL41130
-Nc1ncnc2c1ccn2COC(CO)CO MOL41131
-CCOC(=O)C=C1SC12C(C)(C)CCCC2(C)C MOL41132
-CC1CCOc2ccc(cc2)C=Nc2ccc(cc2)CCc2ccc(cc2)N=Cc2ccc(cc2)OCC1 MOL41133
-O=[N+]([O-])c1cc2ccc1OCc1cccc(n1)COc1ccc(cc1[N+](=O)[O-])C=NCCCCCCCCN=C2 MOL41134
-CC1CCCOc2ccc(cc2)C=Nc2ccc(cc2)CCc2ccc(cc2)N=Cc2ccc(cc2)OCCC1 MOL41135
-CN(C)CCn1c(=O)nc2c3cc(O)ccc3[nH]c3c([N+](=O)[O-])ccc1c32.Cl MOL41136
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=S)n4CCN(C)C)c2c1.Cl MOL41137
-COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=S)n4CCCN(C)C)c2c1.Cl MOL41138
-CN(C)CCCn1c(=S)n(CCCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32.Cl MOL41139
-Nc1nc(N)nc(-c2cnc3ccccc3c2)n1 MOL41140
-Nc1nc(N)nc(-c2cnccn2)n1 MOL41141
-Cc1ccc(C)c(COCCOCn2ccc(=N)[nH]c2=O)c1 MOL41142
-Cc1ccc(C)c(COCCOCn2cc(Br)c(=N)[nH]c2=O)c1 MOL41143
-Cc1ccc(C)c(COCCOCn2cc(N3CCOCC3)c(=O)[nH]c2=O)c1 MOL41144
-Cc1ccc(C)c(COCCOCn2c(=O)[nH]c(=O)c3cc(Br)ccc32)c1 MOL41145
-O=c1[nH]c(=O)n(COCCOCc2ccccc2)cc1Nc1ccccc1 MOL41146
-CC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3C2C1 MOL41147
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4c5ccccc5CC4C3C2=O)cc1 MOL41148
-COc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4C(C)CCCC4C3C2=O)cc1 MOL41149
-CCC(C)(C)C1CCC2c3c([nH]c4ccccc34)C3C(=O)N(c4ccc(OC)cc4)C(=O)C3C2C1 MOL41150
-NNC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41151
-COC(=O)CNC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41152
-COC(=O)C(NC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(C)C MOL41153
-S=c1[nH]nc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41154
-O=C(O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41155
-COC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41156
-COC(=O)C(NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(C)C MOL41157
-O=C(O)CCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41158
-COC(=O)CNC(=O)CCSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 MOL41159
-CC(=O)OC=COC1CCCC1(c1ccccc1)c1ccccc1 MOL41160
-CC(=O)OC=COC1CCCC1 MOL41161
-COc1ccc(C2C=[N+]([O-])OC(OC3CCCC3)C2OC(C)=O)cc1OC MOL41162
-CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC1C1CCCCC1 MOL41163
-CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC1c1ccccc1 MOL41164
-CCC1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(C)=O MOL41165
-CC(=O)OC1CN(S(=O)(=O)c2ccc(C)cc2)CC1C1CCCCC1 MOL41166
-CC(=O)OC1CN(S(=O)(=O)c2ccc(C)cc2)CC1C1CCCCC1 MOL41167
-CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OC2CCCC2(c2ccccc2)c2ccccc2)ON2OC(C(=O)OC)CC21 MOL41168
-CC(C)(C)C(=O)OC=COC1CCCC1(c1ccccc1)c1ccccc1 MOL41169
-CCC1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(=O)C(C)(C)C MOL41170
-COC(=O)C1CC2C(c3ccccc3Br)C(OC(C)=O)C(OCc3ccccc3)ON2O1 MOL41171
-COCc1cc2c(cc1C(=C[N+](=O)[O-])CS(=O)(=O)c1ccccc1)OCO2 MOL41172
-O=C(OC=COC1CCCC1(c1ccccc1)c1ccccc1)c1ccccc1 MOL41173
-CCC1(Cc2ccc(OC)c(OC)c2)[CH-][N+](=O)OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(=O)c1ccccc1 MOL41174
-O=CCOCc1cc2c(cc1Br)OCO2 MOL41175
-O=[N+]([O-])C=CCOCc1cc2c(cc1Br)OCO2 MOL41176
-O=[N+]([O-])C=C1COCc2cc3c(cc21)OCO3 MOL41177
-CC(=O)OC1C(OC2CCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12COCc1cc3c(cc12)OCO3 MOL41178
-CCOC(OCC)C1CC2N(O1)OC(OC1CCCC1(c1ccccc1)c1ccccc1)C(OC(C)=O)C2(CC)Cc1ccc(OC)c(OC)c1 MOL41179
-CCC1(Cc2ccc(OC)c(OC)c2)C(OC(C)=O)C(OC2CCCC2(c2ccccc2)c2ccccc2)ON2OC(C3OCCO3)CC21 MOL41180
-CCC1(c2ccc3c(c2)OCO3)[CH-][N+](=O)OC(OC2CCCC2(c2ccccc2)c2ccccc2)C1OC(C)=O MOL41181
-CC(=O)OC1C(OC2CCCCC2(c2ccccc2)c2ccccc2)O[N+]([O-])=CC12CCCCC2 MOL41182
-O=[N+]([O-])C=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 MOL41183
-COCc1cc2c(cc1C=C[N+](=O)[O-])OCO2 MOL41184
-C=C(C)CCC1[CH-][N+](=O)OC(C)(C)C1(C)C MOL41185
-C=C(C)CCC1C[CH-][N+](=O)OC1C(C)(C)C MOL41186
-COC(=O)C1C(O)C(=O)N2CCC(OC(=O)c3ccccc3)C12 MOL41187
-COC(=O)C1C(OC(=O)C(OC)c2ccccc2)ON2CCC(OC(=O)c3ccccc3)C12 MOL41188
-CCOC(=O)C1ON2OC(OC3CCCCC3c3ccccc3)CC3OC(=O)C1C32 MOL41189
-CCOC(=O)C1ON2OC(OC3CCCCC3c3ccccc3)CC3OC(=O)C1C32 MOL41190
-CCOC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)CC3OC(=O)C1C32 MOL41191
-CCOC(=O)C=CC(=O)OC=C[N+](=O)[O-] MOL41192
-CCOC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)CC3OC(=O)C1C32 MOL41193
-COc1cc(C(C)(C)C)c(OC(=O)C=CC(=O)OC=C[N+](=O)[O-])c(C(C)(C)C)c1 MOL41194
-CC(C)(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-] MOL41195
-CC(C)(C)OC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)CC3OC(=O)C1C32 MOL41196
-COC1OC2CCN3C(=O)C(OC(=O)c4ccc([N+](=O)[O-])cc4)C1C23 MOL41197
-COC(=O)C1ON2OC(OC3CCCCC3C(C)(C)c3ccccc3)CC3CCC1C32C MOL41198
-O=C(OC1C(=O)N2CCC3OC(O)C1C32)c1ccc([N+](=O)[O-])cc1 MOL41199
-CS(=O)(=O)c1ccc(C(=O)OC2C(=O)N3CCC4OC(O)C2C43)cc1 MOL41200
-O=C1C(O)C2C(O)OC3C2N1CC3[Si](c1ccccc1)(c1ccccc1)c1ccccc1 MOL41201
-COC1OC2C(O)CN3C(=O)C(OS(=O)(=O)c4ccc(C)cc4)C1C23 MOL41202
-CCOC(=O)C1ON2OC(OC3CCCC3(c3ccccc3)c3ccccc3)C(OC(C)=O)C3OC(=O)C1C32 MOL41203
-CC(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-] MOL41204
-CC(C)OC(=O)C1ON2OC(OC3CCCCC3c3ccccc3)C([Si](C)(C)c3ccccc3)C3OC(=O)C1C32 MOL41205
-B.CS(=O)(=O)OC1CN2CC(O)C(O)C2C1CO MOL41206
-CC12CCC(C(=Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1=O)C2(C)C MOL41207
-CC12CCC(C(=Nc3ccc([N+](=O)[O-])cc3)C1=O)C2(C)C MOL41208
-CC(C)(C)N=C1C(=O)C2(C)CCC1C2(C)C MOL41209
-CC12CCC(C(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1=O)C2(C)C MOL41210
-CC12CCC(C(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C1=O)C2(C)C MOL41211
-CC(C)(C)NC1C2CCC(C)(C1O)C2(C)C MOL41212
-CC1(C)C2CCC1(C)C(O)C2Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 MOL41213
-COC(=O)CP1(=O)OC2C(C3CCC2(C)C3(C)C)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 MOL41214
-CCC(C(=O)C(=O)OC)P1(=O)OC(C)(C)CN1C(C)(C)C MOL41215
-CCC(C(=O)C(=O)C(CC)P1(=O)OC(C)(C)CN1C(C)(C)C)P1(=O)OC(C)(C)CN1C(C)(C)C MOL41216
-CCC(C=O)P1(=O)OC(C)(C)CN1C(C)(C)C MOL41217
-CCC(=COC)P1(=O)OC(C)(C)CN1C(C)(C)C MOL41218
-CCN1CCC(C)OP1(=O)Cc1ccccc1 MOL41219
-COCP1(=S)OC(C)CCN1C(C)C MOL41220
-CC1CCN(C(C)C)P(=S)(Cc2ccccc2)O1 MOL41221
-CCP1(=S)OC(C)CCN1C(C)C MOL41222
-CC(C)(CO)NC(=O)c1cccc(C(=O)NC(C)(C)CO)c1Br MOL41223
-CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2Br)=N1 MOL41224
-CC1(C)COC(c2cccc(C3=NC(C)(C)CO3)c2)=N1 MOL41225
-O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC1CCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] MOL41226
-CS(=O)(=O)Nc1ccc2ccccc2c1-c1c(NS(C)(=O)=O)ccc2ccccc12 MOL41227
-N=CN=CC(=S)OC1C(=O)N2CCCC23CCCCC13 MOL41228
-O=C1C(O)C2CCCCC23CCCN13 MOL41229
-O=C1C(O)C2CCCC23CCCN13 MOL41230
-CC(C)C1CC=NN1C(=O)OC(C)(C)C MOL41231
-CC(C)(C)OC(=O)N1N=CCC1c1ccccc1 MOL41232
-CC(C)(C)OC(=O)N1NC(c2ccccc2)CC1c1ccccc1 MOL41233
-CC(C)N1C2CCCCC2N(C(C)C)[PH]1=O MOL41234
-CCP1(=O)N(CC(C)(C)C)C(c2ccccc2)CC(c2ccccc2)N1CC(C)(C)C MOL41235
-CCP1(=O)OC(C)(C)CN1C(C)(C)C MOL41236
-CC(C(=O)COCc1ccccc1)P1(=O)OC(C)(C)CN1C(C)(C)C MOL41237
-CC(C)=CCCC(C)=CCCC(C(=O)COCc1ccccc1)P1(=O)OC(C)(C)CN1C(C)(C)C MOL41238
-CCCCCCCCCN1CCC(=O)C(C(=O)OC)C1 MOL41239
-CC1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)C1(O)C(=O)CO MOL41240
-C=C1CC2CC(=O)C(O)C(C1)C2 MOL41241
-O=C1CC2CC(CC3(CO3)C2)C1F MOL41242
-COC1CC(COCc2ccccc2)CC(OC)O1 MOL41243
-O=C1C2CCCC2N1Cc1ccccc1 MOL41244
-CC(C)(C)OC(=O)NC1CCCC1C(=O)C1=CCCC1 MOL41245
-CC(C)(C)OC(=O)N1C(=O)C2CCCC21 MOL41246
-CC(C)(C)OC(=O)NC1CCCC1C(O)(C1=CCCC1)C1=CCCC1 MOL41247
-CCCCCCCCCCCCN1C2CCCC2C(O)C2CCCC21 MOL41248
-CCOC(=O)N1C2CCCC2C(=O)C2CCCC21 MOL41249
-COC(=O)C12CCC(C(F)(F)C1=O)C2(C)C MOL41250
-COc1c(C)cc(Cc2cc(C)c(OC)c(Br)c2)cc1Br MOL41251
-COC(=O)c1cc(C(=O)Nc2cc(Cc3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC MOL41252
-COC(=O)c1cc(C(=O)Nc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)OC)c4)c(OC)c(C(=O)OC)c3)cc(C(=O)OC)c2OC)ccc1OC MOL41253
-COc1ccc(C(=O)Nc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O.[NaH] MOL41254
-COC(=O)c1cc(Cc2cc(Br)cc(C(=O)OC)c2O)cc(Cl)c1O MOL41255
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc([N+](=O)[O-])cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41256
-COc1c(C)cc(C(=O)c2cc(C)c(OC)c(Br)c2)cc1Br MOL41257
-CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12 MOL41258
-CCS(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12 MOL41259
-CCS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12 MOL41260
-ClCCSc1c2ccccc2nc2ccccc12 MOL41261
-O=S(CCCl)c1c2ccccc2nc2ccccc12 MOL41262
-COc1ccc2nc3ccc(OC)cc3c(SCCCl)c2c1 MOL41263
-COc1ccc2nc3ccc(OC)cc3c(S(=O)CCCl)c2c1 MOL41264
-CCN(CC)CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12 MOL41265
-CCN(CC)CCS(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12 MOL41266
-COc1ccc2nc3ccc(OC)cc3c(SCCO)c2c1 MOL41267
-COc1ccc2nc3ccc(OC)cc3c(SCC3CO3)c2c1 MOL41268
-Clc1ccc2c(SCC3CO3)c3ccccc3nc2c1 MOL41269
-COc1ccc2nc3ccc(OC)cc3c(SCc3ccccc3)c2c1 MOL41270
-COc1ccc2nc3ccc(OC)cc3c(S(=O)Cc3ccccc3)c2c1 MOL41271
-O=[N+]([O-])c1ccc(CSc2c3ccccc3nc3ccccc23)cc1 MOL41272
-COc1ccc2nc3ccc(OC)cc3c(SCc3ccc([N+](=O)[O-])cc3)c2c1 MOL41273
-COc1ccc2nc3ccc(OC)cc3c(S(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1 MOL41274
-COc1ccc2nc3ccc(OC)cc3c(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2c1 MOL41275
-C=CS(=O)(=O)c1c2cc(OC)ccc2nc2ccc(OC)cc12 MOL41276
-Cc1cc(C)c(C#N)c(SC(=S)NC(=O)c2ccccc2)n1 MOL41277
-COC(=O)C(Cc1ccccc1)N1OC12CCCCC2NC(=O)OC(C)(C)C MOL41278
-Cc1cc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1 MOL41279
-N#Cc1ccsc1Nc1ccccc1[N+](=O)[O-] MOL41280
-Cc1sc(Nc2ccccc2[N+](=O)[O-])c(C#N)c1C MOL41281
-Cc1ccc(Nc2sc(C)cc2C#N)c([N+](=O)[O-])c1 MOL41282
-Cc1cc(C#N)c(Nc2ccc(F)cc2[N+](=O)[O-])s1 MOL41283
-Cc1cc(C#N)c(Nc2c(C)cccc2[N+](=O)[O-])s1 MOL41284
-COC(=O)C=CC(C#N)(C#N)N=Cc1ccc(C)s1 MOL41285
-COC(=O)C=CC(C#N)(C#N)N=Cc1cc(Br)cs1 MOL41286
-COC(=O)c1cc(C#N)[nH]c1-c1cccs1 MOL41287
-COC(=O)c1cc(C#N)[nH]c1-c1ccc(C)s1 MOL41288
-COC(=O)c1cc(C#N)[nH]c1-c1cc(Br)cs1 MOL41289
-COC(=O)c1cc(C#N)[nH]c1-c1ccc(Br)s1 MOL41290
-CN(C)c1ccc(C2=NC(=S)NC(c3cc(Cl)ccc3O)C2)cc1 MOL41291
-O=[N+]([O-])c1cccc(C2=NC(=S)NC(c3cc(Cl)ccc3O)C2)c1 MOL41292
-CC(=O)OCC1OC(NC(=S)Nc2nc(-c3ccccc3)cc(-c3cc(Cl)ccc3O)n2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O MOL41293
-COCOc1cc(OCOC)cc(C(=O)Oc2ccccc2)c1 MOL41294
-CC1(C2(C)OC(=O)c3ccccc32)OC(=O)c2ccccc21 MOL41295
-O=C1OC(C2(O)OC(=O)c3ccccc32)c2ccccc21 MOL41296
-COC(=O)C1C(C(=O)OC)C1(Br)CBr MOL41297
-O=C(O)C1C(C(=O)O)C1(Br)CBr MOL41298
-COC(=O)C1C(C(=O)OC)C1(Br)CBr MOL41299
-C=C1C(C(=O)OC)C1C(=O)OC MOL41300
-O=C(C=Cc1ccccc1)Oc1cccc(Br)c1 MOL41301
-O=C(C=Cc1ccc(-c2ccccc2)cc1)c1cccs1 MOL41302
-O=C(CC(C(=O)c1cccs1)c1ccccc1)c1ccccc1O MOL41303
-O=C(C=Cc1ccc(O)c(O)c1)Oc1ccccc1 MOL41304
-O=C(C=Cc1ccccc1)Oc1cccc(O)c1 MOL41305
-COc1ccccc1OC(=O)C=Cc1ccccc1 MOL41306
-O=C(CC(C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccccc1 MOL41307
-O=C(CC(C(=O)c1ccco1)c1cccs1)c1cccs1 MOL41308
-Cn1c(-c2ccccc2)cc2c3ccsc3c3ccsc3c21 MOL41309
-Cn1c(-c2cccs2)cc(-c2cccs2)c1-c1cccs1 MOL41310
-O=C1N=C(c2ccccc2)OC1=Cc1ccccc1 MOL41311
-c1csc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)c1 MOL41312
-COc1ccc(C=CC(=O)Oc2ccccc2OC)cc1 MOL41313
-O=c1ccc2ccc(S)cc2o1 MOL41314
-CN(C)C(=S)Oc1ccc2ccc(=O)oc2c1 MOL41315
-Cc1cc(=O)oc2cc(SC(=O)N(C)C)ccc12 MOL41316
-O=c1cc(CO)oc(C(O)c2ccccc2)c1O MOL41317
-Cc1ccc(S(=O)(=O)Oc2coc(CO)cc2=O)cc1 MOL41318
-O=C(Oc1cc(=O)c(OC(=O)c2ccccc2)co1)c1ccccc1 MOL41319
-COc1ccc(C(=C2C(=O)OC(=O)C2=C(C)C)c2ccc(OC)cc2)cc1 MOL41320
-COc1ccc(C(=C2C(=O)N(c3ccccc3)C(=O)C2=C(C)C)c2ccc(OC)cc2)cc1 MOL41321
-O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12 MOL41322
-O=C(CCC(=O)c1ccsc1)c1ccsc1 MOL41323
-COc1cc(C(=O)Oc2ccc3c(c2)OCO3)cc(OC)c1OC MOL41324
-COCOc1ccc(C(=O)Oc2cccc3c2OC(C)(C)O3)c(OCOC)c1 MOL41325
-c1csc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)c1 MOL41326
-CC(=O)c1ccc(-c2oc(-c3ccccc3)cc2-c2ccc3c(c2)OCO3)s1 MOL41327
-c1ccc(-c2cc(-c3cccs3)c(-c3cccs3)s2)cc1 MOL41328
-CCCCc1ccc(C#CC#Cc2ccc(CCCC)s2)s1 MOL41329
-Cn1c(-c2cccs2)cc(-c2cccs2)c1-c1ccco1 MOL41330
-O=C(C=Cc1ccccc1Br)c1ccccc1 MOL41331
-O=C(C=Cc1ccsc1)c1ccco1 MOL41332
-O=C(C=Cc1ccsc1)c1ccccc1 MOL41333
-O=C(C=Cc1ccccc1-c1ccccc1)c1ccccc1 MOL41334
-Brc1ccccc1C=CC1(c2ccccc2)OCCO1 MOL41335
-Clc1ccccc1C=CC1(c2ccccc2)OCCO1 MOL41336
-O=C(C=Cc1cccs1)c1ccccc1Cl MOL41337
-O=C(CC(C(=O)c1ccsc1)c1ccccc1)c1cccs1 MOL41338
-COc1ccc(C=CC(=O)c2cc(OC)cc(OC)c2)cc1 MOL41339
-O=C(CC=Cc1ccccc1)c1ccccc1 MOL41340
-O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccco1 MOL41341
-O=C(CC(C(=O)c1ccsc1)c1ccc2c(c1)OCO2)c1ccccc1 MOL41342
-O=C(CC(C(=O)c1ccsc1)c1ccccc1)c1ccccc1 MOL41343
-O=C(CC(C(=O)c1ccsc1)c1cccs1)c1ccccc1 MOL41344
-O=C(CC(C(=O)c1ccco1)c1ccco1)c1ccco1 MOL41345
-O=C(CC(C(=O)c1ccco1)c1ccsc1)c1ccco1 MOL41346
-O=C(CC(C(=O)c1ccoc1)c1ccco1)c1ccco1 MOL41347
-O=C(CC(C(=O)c1cccs1)c1ccsc1)c1ccccc1 MOL41348
-COc1ccc(-n2c(-c3ccccc3)cc(-c3cccs3)c2-c2cccs2)cc1 MOL41349
-c1csc(-c2ccsc2-c2cccs2)c1 MOL41350
-c1cc(-c2ccc(-c3ccsc3)s2)cs1 MOL41351
-c1csc(-c2csc(-c3cccs3)c2)c1 MOL41352
-c1csc(-c2cscc2-c2cccs2)c1 MOL41353
-c1csc(-c2ccc(-c3ccsc3)s2)c1 MOL41354
-c1csc(-c2cscc2-c2ccsc2)c1 MOL41355
-c1csc(-c2csc(-c3ccsc3)c2)c1 MOL41356
-c1cc(-c2csc(-c3ccsc3)c2)cs1 MOL41357
-c1cc(-c2ccsc2-c2ccsc2)cs1 MOL41358
-c1csc(-c2ccsc2-c2ccsc2)c1 MOL41359
-c1cc(-c2cscc2-c2ccsc2)cs1 MOL41360
-c1csc(-c2cc(-c3ccsc3)cs2)c1 MOL41361
-c1cc2c3ccsc3c3sccc3c2s1 MOL41362
-Brc1ccc(-c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)s1 MOL41363
-Brc1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 MOL41364
-Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1cccs1 MOL41365
-Cn1c(-c2ccccc2)cc(-c2cccs2)c1-c1ccsc1 MOL41366
-Cn1c(-c2ccccc2)cc(-c2ccsc2)c1-c1ccsc1 MOL41367
-c1ccc(-c2cc(-c3cccs3)c(-c3cccs3)o2)cc1 MOL41368
-O=C(CC(=NO)C(F)(F)F)c1cccs1 MOL41369
-Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1ccsc1 MOL41370
-O=C(C(=Cc1cccs1)c1ccccc1)c1ccccc1 MOL41371
-Cn1c(-c2cccs2)cc(-c2ccccc2)c1-c1cccs1 MOL41372
-O=C1OC(OC2OC(=O)c3ccccc32)c2ccccc21 MOL41373
-O=C(C=Cc1ccccc1)c1cccs1 MOL41374
-CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1 MOL41375
-O=C(C=CC(=O)c1cccs1)c1cccs1 MOL41376
-O=C(C=Cc1ccc2c(c1)OCO2)c1ccccc1 MOL41377
-Cc1ccccc1C1OC1C(=O)c1ccccc1N MOL41378
-O=C1c2cc3c(cc2NC(c2ccccc2F)C1O)OCO3 MOL41379
-COc1cccc(-c2[nH]c3cc4c(cc3c(=O)c2C(=O)O)OCO4)c1 MOL41380
-Cc1cc2c(C)cc(O)nc2cc1N MOL41381
-CC(C)c1cc(O)nc2cc(N)ccc12 MOL41382
-Cc1cc2c(-c3ccccc3)cc(O)nc2cc1N MOL41383
-Cc1c(O)nc2cc(O)ccc2c1C MOL41384
-Cc1cc(O)nc2c3c(ccc12)OC(C)(C)C=C3 MOL41385
-Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41386
-Cc1cc2ccc3c(c2oc1=O)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3 MOL41387
-Cc1cc2ccc(=O)oc2c2c1OC(C)(C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C2OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41388
-CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41389
-Cc1c(Cl)c(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41390
-COc1cc2c(c3oc(=O)ccc13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2 MOL41391
-COc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41392
-COc1cc2ccc3c(c2oc1=O)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C(C)(C)O3 MOL41393
-COc1cc2ccc(=O)oc2c2c1OC(C)(C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C2OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41394
-COc1cc2c(c3oc(=O)cc(C)c13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2 MOL41395
-COC(=O)c1cc(C(=CCC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41396
-COC(=O)c1cc(C(=CCCCC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41397
-COC(=O)CC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL41398
-COC(=O)c1cc(C(=CCCCC=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41399
-COC(=O)c1cc(C(=CCCCCCl)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41400
-CC(C)(C)c1cc2c(O)c(c1)COCc1cc(C(C)(C)C)cc(c1O)COCc1cc(C(C)(C)C)cc(c1O)COC2 MOL41401
-Cc1cc2c(O)c(c1)COCc1cc(C)cc(c1O)COCc1cc(C)cc(c1O)COC2 MOL41402
-Oc1c2cc(Cl)cc1COCc1cc(Cl)cc(c1O)COCc1cc(Cl)cc(c1O)COC2 MOL41403
-COC(=O)CN1Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)CN(CC(=O)OC)Cc2cc(C)cc(c2O)C1 MOL41404
-Cc1cc2c(O)c(c1)CN(CC(=O)O)Cc1cc(C)cc(c1O)CN(CC(=O)O)Cc1cc(C)cc(c1O)CN(CC(=O)O)C2 MOL41405
-COC(=O)c1ccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4ccc(C(=O)OC)cc4)c(C(=O)OCc4ccc(C(=O)OC)cc4)c3)cc(Cl)c2OCc2ccc(C(=O)OC)cc2)cc1 MOL41406
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41407
-COC(=O)CNC1=NC(=S)N(Cc2ccc(OC)cc2)C12CCCC2 MOL41408
-O=C1C(=C2Sc3c(ccc(Cl)c3Cl)C2=O)Sc2c1ccc(Cl)c2Cl MOL41409
-Cc1nnc(Sc2nc(C#N)c(C#N)nc2Sc2nnc(C)s2)s1 MOL41410
-N#CC(N)=C(C#N)NC(=O)C(=O)NC(C#N)=C(N)C#N MOL41411
-OC1(c2ccc(Cl)cc2)c2ccccc2-c2nc3ccccc3n21 MOL41412
-Cl.Clc1ccc(C2c3ccccc3-c3nc4ccccc4n32)cc1 MOL41413
-OC1=C(c2ccccc2)C2=NCCN2c2ccccc21 MOL41414
-O=C1N2CCN=C2c2ccccc2C1(O)c1ccccc1 MOL41415
-OC1(c2ccc(Cl)cc2)c2ccccc2C2=Nc3ccccc3CN21 MOL41416
-C=CCOc1cccc(C2(O)c3ccccc3C3=NCCCN32)c1.Cl MOL41417
-C=CCOc1ccccc1C1(O)c2ccccc2C2=NCCCN21.Cl MOL41418
-OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21 MOL41419
-OC1(c2ccc(-c3ccccc3)cc2)c2ccccc2C2=NCCN21 MOL41420
-COc1cc(C2(O)c3ccccc3C3=NCCN32)cc(OC)c1OC MOL41421
-CC1(C)CN=C(c2ccc3ccccc3c2O)N1 MOL41422
-Oc1c(C2=NC3CCCCC3N2)ccc2ccccc12 MOL41423
-C=CCOc1ccc(C2(O)c3ccccc3C3=NCCCN32)cc1 MOL41424
-CC1(C)COC(c2ccccc2-c2ccccc2)=N1 MOL41425
-CCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1 MOL41426
-NCCN1C(=O)c2ccccc2C1c1ccc(Cl)cc1 MOL41427
-O=C1c2ccccc2C2(c3ccc(Cl)cc3)NCc3ccccc3CN12 MOL41428
-O=C1c2cc3ccccc3cc2C2(c3ccc(Cl)cc3)NCCN12 MOL41429
-O=C1c2ccccc2C2(c3ccc(Cl)cc3)NC3CCCCC3N12 MOL41430
-O=C1c2ccccc2C2(c3ccc(Cl)cc3)NC3CCCCC3N12 MOL41431
-CC1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1CCCN1C(=O)c2ccccc2C1=O MOL41432
-Clc1ccc(NCc2nnc(CCCCCCCCc3nnc(CNc4ccc(Cl)cc4)o3)o2)cc1 MOL41433
-COc1ccccc1NCc1nnc(CCCCCCCCc2nnc(CNc3ccccc3OC)o2)o1 MOL41434
-O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2ccccc2)C1=S)N1C(=O)CC(=O)N(c2ccccc2)C1=S MOL41435
-O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2cccc(Cl)c2)C1=S)N1C(=O)CC(=O)N(c2cccc(Cl)c2)C1=S MOL41436
-O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S MOL41437
-COc1ccccc1N1C(=O)CC(=O)N(C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(c3ccccc3OC)C2=S)C1=S MOL41438
-COc1ccc(N2C(=O)CC(=O)N(C(=O)CCCCCCCCC(=O)N3C(=O)CC(=O)N(c4ccc(OC)cc4)C3=S)C2=S)cc1 MOL41439
-c1ccc(C2=C(c3ccccc3)Sc3nnc(CCCCCCCCc4nnc5n4NC(c4ccccc4)=C(c4ccccc4)S5)n3N2)cc1 MOL41440
-c1ccc(Nc2nn3c(CCCCCCCCc4nnc5sc(Nc6ccccc6)nn45)nnc3s2)cc1 MOL41441
-Clc1ccc(Nc2nn3c(CCCCCCCCc4nnc5sc(Nc6ccc(Cl)cc6)nn45)nnc3s2)cc1 MOL41442
-S=c1[nH]n2c(CCCCCCCCc3nnc4sc(=S)[nH]n34)nnc2s1 MOL41443
-Clc1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5Cl)nn34)nnc2s1 MOL41444
-Clc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(Cl)cc6)nn45)nnc3s2)cc1 MOL41445
-Oc1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5O)nn34)nnc2s1 MOL41446
-Oc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(O)cc6)nn45)nnc3s2)cc1 MOL41447
-O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc(Br)cc1 MOL41448
-O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc([N+](=O)[O-])cc1 MOL41449
-O=c1c2cc(-c3ccccc3)cnc2sn1-c1ccc(Oc2ccccc2)cc1 MOL41450
-O=C1c2cccnc2S(=O)(=O)N1c1ccc(Oc2ccccc2)cc1 MOL41451
-COc1ccc(N2C(=O)c3cccnc3S2(=O)=O)cc1 MOL41452
-CCCCc1ccc(N2C(=O)c3cccnc3S2(=O)=O)cc1 MOL41453
-N#CC1(C#N)C2=C(CCCC2)NC(c2ccc(Br)cc2)C1(C#N)C#N MOL41454
-N#CC1(C#N)C(c2ccccc2)NC23CCCCC2C1(C#N)C(=O)N3 MOL41455
-CCOC1(OCC)NC(=N)C2(C#N)C3(C(=O)N(C(C)C)N=C3C)C12C#N MOL41456
-COC(=N)C12C(=N)NC(OC)(OC)C1(C#N)C21C(=O)N(c2ccccc2)N=C1C MOL41457
-COC1(OC)NC(=N)C2(C#N)C3(C(=O)N(C(C)C)N=C3C)C12C#N MOL41458
-Cc1cn(C2CC(SCCO)C(CO)O2)c(=O)[nH]c1=O MOL41459
-Cc1nn(C)c2nc3ccc(Cl)cc3c(-c3ccccc3)c12 MOL41460
-COC(=O)C12CSCC1CC(c1cccc3ccccc13)N2 MOL41461
-COc1cc(C(=O)N(C(=O)N2CCCCC2)c2ccccc2)cc(OC)c1OC MOL41462
-O=C(c1ccc(Cl)cc1Cl)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 MOL41463
-N#CC(C(=O)Nc1ccccc1)=C(N)N1CCCCC1 MOL41464
-N#CC(C(=O)Nc1ccccc1)=C(N)N1CCOCC1 MOL41465
-CN1CCN(C(N)=C(C#N)C(=O)Nc2ccccc2)CC1 MOL41466
-N#CC(C(=O)Nc1ccc(Cl)cc1)=C(N)N1CCCC1 MOL41467
-N#CC(C(=O)Nc1ccc(Cl)cc1)=C(N)N1CCCCC1 MOL41468
-N#CC(C(=O)Nc1ccc(Cl)cc1)=C(N)N1CCOCC1 MOL41469
-CN1CCN(C(N)=C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 MOL41470
-N#Cc1c(N2CCOCC2)ncn(-c2ccccc2)c1=O MOL41471
-N#Cc1c(N2CCOCC2)ncn(-c2ccc(Cl)cc2)c1=O MOL41472
-Nc1cc(N2CCOCC2)nc(=O)n1-c1ccc(Cl)cc1 MOL41473
-Nc1cc(N2CCOCC2)nc(=O)n1-c1ccccc1 MOL41474
-CCOC(=O)c1c(O)cc(O)nc1N1CCOCC1 MOL41475
-CCOC(=O)c1c(N2CCCC2)nc(O)c(C(c2cccs2)c2c(O)nc(N3CCCC3)c(C(=O)OCC)c2O)c1O MOL41476
-CCOC(=O)c1c(N2CCCC2)nc(O)c(C(c2ccco2)c2c(O)nc(N3CCCC3)c(C(=O)OCC)c2O)c1O MOL41477
-CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)C(C)C)c1O MOL41478
-CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2cccs2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O MOL41479
-CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2ccco2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O MOL41480
-CCOC(=O)c1c(N2CCOCC2)nc(O)c(C(c2ccc(N(C)C)cc2)c2c(O)nc(N3CCOCC3)c(C(=O)OCC)c2O)c1O MOL41481
-CSC12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)C2Oc1ccccc1 MOL41482
-CSC12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)C2Oc1ccccc1 MOL41483
-CSC12c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3CC(C)(C)CN1C(=O)C2Oc1ccccc1 MOL41484
-CC12CCC3C(CCC4=CC(=O)C=CC43O)C1CCC2=O MOL41485
-CNC1=CC(=O)C2=C(C1=O)C1CCC3(C)C(=O)CCC3C1CC2 MOL41486
-CC(=O)OC1CCC2C3CCC4=CC(=O)C=CC4(O)C3CCC12C MOL41487
-CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(Sc2ccccc2)=CC1=O MOL41488
-CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(SCC(C)C)=CC1=O MOL41489
-COC(=O)c1cccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4cccc(C(=O)OC)c4)c(C(=O)OCc4cccc(C(=O)OC)c4)c3)cc(Cl)c2OCc2cccc(C(=O)OC)c2)c1 MOL41490
-COC(=O)c1cc(C(=CCCCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41491
-COC(=O)c1cc(C(=CCCCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41492
-CCNC(=O)OCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL41493
-Cc1cc(C)nc(SC(F)(F)c2nc3ccccc3o2)n1 MOL41494
-Cc1ccnc(SC(F)(F)c2nc3ccccc3o2)n1 MOL41495
-FC(F)(Oc1ccccc1)c1nc2ccccc2o1 MOL41496
-FC(F)(Oc1ccc2ccccc2c1)c1nc2ccccc2o1 MOL41497
-Oc1cc2ccccc2cc1OC(F)(F)c1nc2ccccc2o1 MOL41498
-Cc1cc(OC(F)(F)c2nc3ccccc3o2)cc(C)c1C MOL41499
-FC(F)(Oc1ccc2oc3ccccc3c2c1)c1nc2ccccc2o1 MOL41500
-Cc1cccc(C)c1OC(F)(F)c1nc2ccccc2o1 MOL41501
-FC(F)(Sc1ncccn1)c1nc(-c2ccccc2)no1 MOL41502
-Cc1noc(C(F)(F)Sc2ncccn2)n1 MOL41503
-CCCc1noc(C(F)(F)Sc2ncccn2)n1 MOL41504
-Nc1cc(C(=O)O)ccc1O MOL41505
-COc1cc2c(cc1OC)C(=O)N1CCCC1CS2 MOL41506
-COC1Sc2ccccc2C(=O)N2CCCC12 MOL41507
-CC(=O)OC1Sc2ccccc2C(=O)N2CCCC12 MOL41508
-O=C1Sc2ccccc2C(=O)N2CS(=O)CC12 MOL41509
-O=C1Sc2ccccc2C(=O)N2C1CSC2c1ccccc1 MOL41510
-COc1cc2c(cc1OC)C(=O)N1CSCC1C(=O)S2 MOL41511
-O=C1Sc2cc([N+](=O)[O-])ccc2C(=O)N2CSCC12 MOL41512
-O=C1Sc2ccc(Cl)cc2C(=O)N2CSCC12 MOL41513
-O=C1Sc2ccc(Br)cc2C(=O)N2CSCC12 MOL41514
-O=C1Sc2ccc(Cl)cc2C(=O)N2CCSC12 MOL41515
-COc1ccc2c(c1)C(=O)N1CSCC1C(=O)S2 MOL41516
-Cc1ccc2c(c1)C(=O)N1CSCC1C(=O)S2 MOL41517
-O=C(O)c1nc2ccccc2n2cccc12 MOL41518
-CN1CCN(C2Sc3ccccc3C(=O)N3CCCC23)CC1 MOL41519
-COC(=O)Cc1ccc(COC(=O)c2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cl)c(OCc4ccc(CC(=O)OC)cc4)c(C(=O)OCc4ccc(CC(=O)OC)cc4)c3)cc(Cl)c2OCc2ccc(CC(=O)OC)cc2)cc1 MOL41520
-CC(C)=CCCC(C)C=CC=C(C)C(=O)CCC1CC[N+]2(C)CCCCC12.[Cl-] MOL41521
-CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O MOL41522
-CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O MOL41523
-CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O MOL41524
-CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O MOL41525
-CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O MOL41526
-CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O MOL41527
-C=CCC1(O)CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL41528
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1=NO MOL41529
-COC(=O)C=C1C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O MOL41530
-Cc1cn(C(C)OCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O MOL41531
-C=CCC1C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC1n1ccc(=O)[nH]c1=O MOL41532
-Cc1cn(C2CCC(C=NO)O2)c(=O)[nH]c1=O MOL41533
-Cc1cn(C(Cc2ccccc2)OCCO)c(=O)[nH]c1=O MOL41534
-O=S(=O)(O)c1ccc(O)c2ncc(Cl)cc12 MOL41535
-O=S(=O)(O)c1c(Cl)cc(O)c2ncccc12 MOL41536
-O=S(=O)(O)c1cc(Cl)c(O)c2ncc(Cl)cc12 MOL41537
-O=S(=O)(O)c1c(Cl)c(Cl)c(O)c2ncccc12 MOL41538
-O=P1(Oc2ccccc2)Cc2cnccc2CN1 MOL41539
-Cc1cc(OP2(=O)NCc3ccncc3O2)ccc1Cl MOL41540
-COP1(=O)NCc2ncccc2O1 MOL41541
-O=P1(Oc2ccccc2)NCc2ncccc2O1 MOL41542
-Cc1cc(OP2(=O)NCc3ncccc3O2)ccc1Cl MOL41543
-CCOC(=O)c1cn(C)c(=S)n2c1nc1ccccc12 MOL41544
-CCOC(=O)c1cn(CC)c(=O)n2c1nc1ccccc12 MOL41545
-CCOC(=O)c1cn(-c2ccccc2)c(=S)n2c1nc1ccccc12 MOL41546
-CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c(=S)n2c1nc1ccccc12 MOL41547
-CC1(C)OC2COC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1 MOL41548
-CC1(C)OCC2OC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1 MOL41549
-CC1(C)OCC2OC3(C4OC(C)(C)OC4CO)OC(C)(C)OC3C2O1 MOL41550
-CC1(C)OCC2OC3(C(O)CCO)OC(C)(C)OC3C2O1 MOL41551
-CCN(CC)CC1CNC(=N)O1 MOL41552
-Cl.NC1CC(N)c2c(Cl)sc(Cl)c21 MOL41553
-O=C1CC(O)c2c(Cl)sc(Cl)c21 MOL41554
-COc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1 MOL41555
-CCCCc1ccc(-n2sc3ncc(-c4ccccc4)cc3c2=O)cc1 MOL41556
-CCOC(=O)COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OCC(=O)OCC)c(C(=O)OCC(=O)OCC)c2)cc(Cl)c1OCC(=O)OCC MOL41557
-COC(=O)C1(C)OC(C)=NC1(C(=O)OC)C(=O)OC MOL41558
-CCOC(=O)C1(C(=O)OCC)OC(C)=NC1(C(=O)OC)C(=O)OC MOL41559
-COC(=O)C1(C(=O)OC)N=C(C)OC1c1ccoc1 MOL41560
-COC(=O)C1(C(=O)OC)N=C(C)OC1C(C)C MOL41561
-COC(=O)C1(C(=O)OC)N=C(C)OC1C=Cc1ccccc1 MOL41562
-COC(=O)C1(C(=O)OC)N=C(C)OC1c1ccccn1 MOL41563
-COC(=O)C1(C(=O)OC)N=C(C)OC1c1ccccc1O MOL41564
-CCOC(=O)N1C(=S)C(C(=O)OC)(C(=O)OC)N=C1C MOL41565
-CCOC(=O)C(O)(CC1=NC(C(=O)OC)(C(=O)OC)C(c2cccc(C=O)c2)O1)C(=O)OCC MOL41566
-CCOC(=O)CC1C(C(=O)OCC)=CN2C(=C1C(=O)OCC)Nc1cccc3cccc2c13 MOL41567
-CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C=C(C(C)=O)C1CC(C)=O MOL41568
-CCOC(=O)C1=C2Nc3cccc4cccc(c34)N2C(=O)CC1 MOL41569
-COc1cc(C(=O)O)c(C(=O)c2ccc(C#N)cc2)cc1OC MOL41570
-COc1cc(C(=O)O)c(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC MOL41571
-COc1cc(CC(=O)O)c(C(=O)c2cccc([N+](=O)[O-])c2)cc1OC MOL41572
-COc1cc(CC(=O)O)c(C(=O)c2ccc(C#N)cc2)cc1OC MOL41573
-COc1cc(CC(=O)O)c(C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC MOL41574
-CCCCCC=C(c1cc(C)c(OC)c(Br)c1)c1cc(C)c(OC)c(Br)c1 MOL41575
-Cc1cc2c(c3oc(=O)ccc13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2 MOL41576
-CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)C(OC(=O)C12CCC(C)(C(=O)O1)C2(C)C)C3OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41577
-Cc1cc2c(c3oc(=O)cc(C)c13)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(OC(=O)C13CCC(C)(C(=O)O1)C3(C)C)C(C)(C)O2 MOL41578
-Cc1cn(C2CCC(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O MOL41579
-Cc1cn(C2CCC(COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O MOL41580
-CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1CCC(n2cc(C)c(=O)[nH]c2=O)O1 MOL41581
-Cc1cn(C2C=CC(COP(=O)(OCC(=O)c3ccccc3)OCC(=O)c3ccccc3)O2)c(=O)[nH]c1=O MOL41582
-Cc1cn(C2C=CC(COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O MOL41583
-CCCCCCC(=O)COP(=O)(OCC(=O)CCCCCC)OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1 MOL41584
-COc1ccc2nc3n(c2c1)C(c1c(F)cccc1Cl)SC3 MOL41585
-COc1ccc2c(c1)nc1n2C(c2c(F)cccc2Cl)SC1 MOL41586
-COc1ccc2nc3n(c2c1)C(c1c(Cl)cccc1Cl)SC3 MOL41587
-COc1ccc2c(c1)nc1n2C(c2c(Cl)cccc2Cl)SC1 MOL41588
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3F)O2)c(=O)n1 MOL41589
-CCCCCCCCCCCCCCCCCCOC(CO)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F MOL41590
-C#CCCCC(=C)CC1OC(=O)C(C)C1O MOL41591
-CC1C(=O)OC1C(O)CO MOL41592
-CC1C(=O)OC1C1COC(C)(C)O1 MOL41593
-COC(=O)C12CSCC1CC(c1ccc(N(C)C)cc1)N2 MOL41594
-Cc1c(C#N)c2nnn(-c3ccccc3)c(=O)n2c1-c1ccccc1 MOL41595
-CCOC(=O)c1c2ccccc2n2c(=O)n(-c3ccc(OC)cc3)nnc12 MOL41596
-CCOC(=O)c1c2ccccc2n2c(=O)n(-c3ccccc3)nnc12 MOL41597
-CCOC(=O)c1c2ccccc2n2c(=O)n(C)nnc12 MOL41598
-Cl.NCCCCCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 MOL41599
-CN(C)CCCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1ccccc1 MOL41600
-COc1ccc(-c2csc(=Nc3ccccc3)n2CCCN(C)C)cc1 MOL41601
-Br.C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1OC MOL41602
-Br.COc1ccc(-c2csc(=Nc3ccccc3)n2CC(O)c2ccc([N+](=O)[O-])cc2)cc1 MOL41603
-Cc1ccc(-c2csc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CCO)cc1 MOL41604
-C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O.Cl MOL41605
-CN(C)CCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 MOL41606
-Br.Cc1ccc(-c2csc(=Nc3ccccc3)n2NC(=O)c2ccncc2)cc1 MOL41607
-CC1(C)C(=NO)C2(OS(=O)(=O)C(F)(F)F)CCC1C2 MOL41608
-CC1(C)C(=O)C2(OS(=O)(=O)C(F)(F)F)CCC1C2 MOL41609
-CC1(C)C2CCC(O)(C2)C1N.Cl MOL41610
-CC1(C)C(=NO)C2(C#N)CCC1C2 MOL41611
-CC1(C)C(=O)C2(C#N)CCC1C2 MOL41612
-CC1(C)C2CCC(CN)(C2)C1O.Cl MOL41613
-CC1(C)C2CCC(CN)(C2)C1N.Cl MOL41614
-CC1(C)C(=O)C2(N)CCC1C2.Cl MOL41615
-CC1(C)C2CCC(N)(C2)C1O.Cl MOL41616
-CC1(C)C2CCC(N)(C2)C1N.Cl MOL41617
-CCNC12CCC(C1)C(C)(C)C2=O.Cl MOL41618
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C=NO)O2)c(=O)[nH]c1=O MOL41619
-CC(C)(C)OC(=O)N(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)OC(=O)C(C)(C)C MOL41620
-CC(C)(C)[Si](C)(C)OC1C(CC#N)C(CO)OC1n1ccc(=O)[nH]c1=O MOL41621
-CC(=O)ON1C(c2ccc([N+](=O)[O-])cc2)OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC21 MOL41622
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC1=NO MOL41623
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(=S)Oc2ccccc2)C1O[Si](C)(C)C(C)(C)C MOL41624
-CC(C)(C)[Si](C)(C)OC1C(C=NO)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL41625
-CC(C)(C)[Si](C)(C)OC1C(C=NO)OC(n2cnc3c(N)ncnc32)C1O[Si](C)(C)C(C)(C)C MOL41626
-Cc1cn(COCCSc2ccccc2)c(=O)[nH]c1=O MOL41627
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(CCN(O)CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41628
-Cc1cn(C2CC(O)C(CNC(=O)NO)O2)c(=O)[nH]c1=O MOL41629
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(O)CC=NO MOL41630
-CC(C)(C)[Si](C)(C)OC1C(n2ccc(=O)[nH]c2=O)OC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1(CC#N)Sc1ccccc1 MOL41631
-C=CCC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL41632
-[CH2-][N+](=O)CCC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL41633
-CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NC(=O)c4ccccc4)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41634
-CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NCc4ccccc4)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41635
-CC(C)(C)[Si](C)(C)OCC1OC(n2cnc3c(O)nc(NCc4cccc5ccccc45)nc32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C MOL41636
-Cc1cn(COCCCSc2ccccc2)c(=O)[nH]c1=O MOL41637
-CCc1c(Cc2ccccc2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41638
-Cc1cn(COCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41639
-CCc1c(Cc2cc(C)cc(C)c2)n(COCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41640
-CCc1c(Cc2ccccc2)n(COCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41641
-C=CCC1(O)CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL41642
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC1(O)CC=NO MOL41643
-Cc1cn(COCCOS(C)(=O)=O)c(=O)[nH]c1=O MOL41644
-CC(=O)OCCCOCn1cc(C)c(=O)[nH]c1=O MOL41645
-Cc1cn(COCCCO)c(=O)[nH]c1=O MOL41646
-C=CCSCCOCn1cc(C)c(=O)[nH]c1=O MOL41647
-Cc1cn(COCCS(=O)c2ccccc2)c(=O)[nH]c1=O MOL41648
-COC(=O)c1c(-c2ccccc2)c2sc3ccccc3n2c1N MOL41649
-CCOC(=O)CCSS(=O)(=O)c1ccccc1 MOL41650
-Cc1ccc(S(=O)(=O)C(Cl)C2N=C(Cl)NN=C2c2ccccc2)cc1 MOL41651
-CC(C)Sc1nncc(C(=N)NO)n1 MOL41652
-CC(C)Sc1nc(C#N)cc2c1CCCC2 MOL41653
-N#CC1=C2SCCN2C(=O)C(C#N)C12CCCCC2 MOL41654
-N#CC1C(=O)Nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2C12CCCCC2 MOL41655
-Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(-c2ccccc2Cl)c1C(=O)Nc1ccccc1 MOL41656
-c1ccc2c(-c3csc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 MOL41657
-Brc1ccc2c(-c3csc(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 MOL41658
-Brc1ccc2c(-c3nc(-c4c[nH]c5ccccc45)cs3)c[nH]c2c1 MOL41659
-Brc1ccc2c(-c3csc(-c4c[nH]c5ccccc45)n3)c[nH]c2c1 MOL41660
-CCC1(CC=C(C)C)Oc2cccnc2-n2cccc2C1=O MOL41661
-CC=CCC1(CC)Oc2cccnc2-n2cccc2C1=O MOL41662
-O=C1c2cccn2-c2ccccc2OC1c1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1 MOL41663
-CCCc1cc(O)nc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3O MOL41664
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccncc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41665
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(C)CC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41666
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccc[nH]2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41667
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CC=CCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41668
-C=C(C)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC(=C)CN(S(=O)(=O)c2ccc(C)cc2)CCC1.Cl MOL41669
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2cccn2C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41670
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2cccs2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41671
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccsc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41672
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41673
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41674
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC(C)CC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41675
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCCC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41676
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41677
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CCC(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41678
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC(C)(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41679
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41680
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C2CCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41681
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccn2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41682
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccc(C)o2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41683
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(=O)OC(C)C)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41684
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(C(=O)OC)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41685
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41686
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1.Cl MOL41687
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41688
-C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCN(Cc2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)C1 MOL41689
-O=C(O)c1ccc2c(n1)-c1nc3nc4c(cc3cc1CC2)CCc1ccc(C(=O)O)nc1-4.[KH] MOL41690
-COC(=O)c1cc(Cc2cc(C(c3cc(Cc4cc(Cl)c(O)c(C(=O)OC)c4)c(O)c(C(=O)OC)c3)C(Cl)(Cl)Cl)cc(C(=O)OC)c2O)cc(Cl)c1O MOL41691
-COc1ccc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2ccc(OC)c(C(=O)O)c2)cc1C(=O)O.[NaH] MOL41692
-CNC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)NC)c1)c1cc(Cl)c(OC)c(C(=O)NC)c1 MOL41693
-COC(=O)CCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL41694
-CCN1C(=O)c2cc(OC)c(OC)cc2C(=O)C12OC(=O)c1cc3c(cc12)OCO3 MOL41695
-CC(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)c2)c1.[Br-] MOL41696
-O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1.[Br-] MOL41697
-CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)cc2)cc1.[Br-] MOL41698
-NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SC(=O)CCCC[n+]2ccccc2)cc1.[Br-] MOL41699
-O=C(O)CC1C(O)C(O)CN2C(=O)c3ccccc3C12 MOL41700
-O=C1CC2C(O1)C(O)CN1C(=O)c3ccccc3C21 MOL41701
-O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=CC(=O)c1ccccc1 MOL41702
-CCOC(=O)C(=O)NN=C1C(=O)Nc2ccccc21 MOL41703
-O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 MOL41704
-N=C(Nn1c(=S)[nH]c2ccccc2c1=O)Nn1c(=S)[nH]c2ccccc2c1=O MOL41705
-N=c1[nH]n2c(=O)c3ccccc3nc2s1 MOL41706
-CC(CC=O)Nc1nn2c(=O)c3ccccc3nc2s1 MOL41707
-Nn1c(Sc2nc3ccccc3c(=O)n2N)nc2ccccc2c1=O MOL41708
-O=c1c2ccccc2nc2sc(N=CC=Cc3ccccc3)nn12 MOL41709
-COc1ccc(C=CC(=O)c2cccc(C(=O)C=Cc3ccc(OC)c(OC)c3)n2)cc1OC MOL41710
-O=C(C=Cc1cccs1)c1cccc(C(=O)C=Cc2cccs2)n1 MOL41711
-O=C(C=Cc1ccco1)c1cccc(C(=O)C=Cc2ccco2)n1 MOL41712
-COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)OC1(Oc2c(O)c4c(c(O)c2C1OC1CC(OC)C(O)C(C)O1)C(=O)C=C(OC)C4=O)C(O)C3 MOL41713
-COC(=O)c1ccccc1COC(=O)c1cc(C(=CCCC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OCc3ccccc3C(=O)OC)c(C(=O)OCc3ccccc3C(=O)OC)c2)cc(Cl)c1OCc1ccccc1C(=O)OC MOL41714
-COC(=O)c1cc(Cc2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC MOL41715
-COC(=O)c1cc(C(=O)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC MOL41716
-CCCCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 MOL41717
-COC(=O)c1cc(C(c2cc(C(=O)OC)c(OC)c(Br)c2C)C(Cl)(Cl)Cl)c(C)c(Br)c1OC MOL41718
-COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)cc2C)C(Cl)(Cl)Cl)c(C)cc1O MOL41719
-COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)c(Br)c2C)C(Cl)(Cl)Cl)c(C)c(Br)c1O MOL41720
-COC(=O)c1cc(C(=C(Cl)Cl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC MOL41721
-N=c1ccn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2I)c(=O)[nH]1 MOL41722
-CCCCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1 MOL41723
-COC(=O)c1cc(C(=CCC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41724
-CC(C)CCCC(C)C1CCC2C3CCC4CC(NC(=O)CC=C(c5cc(Cl)c(O)c(C(=O)O)c5)c5cc(Cl)c(O)c(C(=O)O)c5)CCC4(C)C3CCC12C.N MOL41725
-CC1(C)OC(=O)c2cc(C(=CC=O)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1 MOL41726
-COC(=O)c1cc(C(=CCC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41727
-COC(=O)CCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 MOL41728
-COC(=O)CCCC=C(c1cc(C)c(OC)c(Br)c1)c1cc(C)c(OC)c(Br)c1 MOL41729
-Cc1cn(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2I)c(=O)[nH]c1=O MOL41730
-COC(=O)C(CNC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1 MOL41731
-COC(=O)C(CNC(=O)C=Cc1ccc(OC)c(OC)c1)NC(=O)C=Cc1ccc(OC)c(OC)c1 MOL41732
-COC(=O)C(COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)OC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1 MOL41733
-COc1ccc(C=CC(=O)NCC(NC(=O)C=Cc2ccc(OC)c(OC)c2)C(=O)O)cc1OC MOL41734
-O=C(C=Cc1ccc(O)c(O)c1)NC(CO)C(=O)O MOL41735
-COC(=O)C(COC(C)=O)NC(=O)C=Cc1ccc(O)c(OC(C)=O)c1 MOL41736
-O=C(C=Cc1ccc(O)c(O)c1)OCC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O MOL41737
-CC(=O)Oc1ccc(C=CC(=O)NCC(NC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)O)cc1OC(C)=O MOL41738
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL41739
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)c5cc(Cl)c(OCc6cccc(C(=O)O)c6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41740
-COC(=O)c1cc(C(CCl)c2cc(C(=O)OC)c(O)cc2C)c(C)cc1O MOL41741
-COC(=O)c1cc(C(CCl)c2cc(C(=O)OC)c(O)c(Br)c2C)c(C)c(Br)c1O MOL41742
-COC(=O)c1cc(C(CCl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC MOL41743
-C=C(c1cc(C(=O)OC)c(OC)c(Br)c1C)c1cc(C(=O)OC)c(OC)c(Br)c1C MOL41744
-COC(=O)c1cc(C(=O)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC MOL41745
-COc1c(Cl)cc(C(=CCC(=O)NC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL41746
-CCC1(CCCC=C(c2cc(Cl)c(OC)c(C(=O)OC)c2)c2cc(Cl)c(OC)c(C(=O)OC)c2)OCCO1 MOL41747
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C MOL41748
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6C(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41749
-CC(C)c1ccccc1SCc1cc(=O)cc(CSc2ccccc2C(C)C)o1 MOL41750
-CN(O)C(=O)CCCC(=O)NCC(C)(C)CNC(=O)CCCC(=O)N(C)O MOL41751
-CC(C(=O)NCCNC(=O)CCCC(=O)N(C)O)C(=O)NCCNC(=O)CCCC(=O)N(C)O MOL41752
-CC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O MOL41753
-CCCCC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O MOL41754
-CCCCC1C(OCOc2ccccc2)COC(=O)N1C(C)c1ccccc1 MOL41755
-COc1c(Cl)cc(Cc2cc(C(=CCCC3CCC4(C)C(CCC5C4CCC4(C)C(C(C)CCCC(C)C)CCC54)C3)c3cc(Cc4cc(Cl)c(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O.[NaH] MOL41756
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c(C(=O)OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c5)c5cc(Cl)c(OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c(C(=O)OCc6ccccc6B6OC(C)(C)C(C)(C)O6)c5)CCC4(C)C3CCC12C MOL41757
-COC(=O)C(COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1 MOL41758
-COC(=O)C(COC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C=Cc1ccc(OC(C)=O)c(OC(C)=O)c1 MOL41759
-CCC1(CCCC=C(c2cc(Cl)c(OC)c(CO)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1 MOL41760
-CCC1(CCCC=C(c2cc(Cl)c(OC)c(C=O)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1 MOL41761
-COC(=O)c1cc(C(=CC=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41762
-CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 MOL41763
-S=C(Nc1ccc(Br)cn1)Nc1ccccc1-c1ccccc1 MOL41764
-S=C(Nc1cccc(-c2ccccc2)c1)Nc1ccc(Br)cn1 MOL41765
-S=C(NCc1ccccc1-c1ccccc1)Nc1ccc(Br)cn1 MOL41766
-Cc1cn(C2CC(OP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)C(CO)O2)c(=O)[nH]c1=O MOL41767
-CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])COP(=O)(O)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO MOL41768
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])O2)c(=O)n1 MOL41769
-CCCCCCCCCCCCCCCCCCCCCCNc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])C(COP(=O)(O)OCC3CCC(n4ccc(=N)[nH]c4=O)O3)O2)c(=O)n1 MOL41770
-S=C1NCCN1C(=S)Nc1ccccc1 MOL41771
-S=C1NCCN1C(=S)NC1CCCCC1 MOL41772
-O=C(Nc1ccccc1)N1CCNC1=S MOL41773
-O=C(NC1CCCCC1)N1CCNC1=S MOL41774
-O=C(Nc1ccccc1)N1CCN(C(=O)Nc2ccccc2)C1=S MOL41775
-O=C(c1ccccc1)N1CCN(C(=S)NC2CCCCC2)C1=S MOL41776
-CNC(=S)N1CCN(C(C)=O)C1=S MOL41777
-O=C(c1ccccc1)N1CCN(C(=S)N(C(=O)c2ccccc2)c2ccccc2)C1=S MOL41778
-COC(=O)c1cc(C(=CCl)c2cc(C(=O)OC)c(OC)c(Br)c2C)c(C)c(Br)c1OC MOL41779
-COC(=O)c1cc(C(c2cc(C(=O)OC)c(OC)c(Br)c2C)C(Cl)Cl)c(C)c(Br)c1OC MOL41780
-COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)c(Br)c2C)C(Cl)Cl)c(C)c(Br)c1O MOL41781
-COC(=O)c1cc(C(c2cc(C(=O)OC)c(O)cc2C)C(Cl)Cl)c(C)cc1O MOL41782
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c(C(=O)OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c5)c5cc(Cl)c(OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c(C(=O)OCc6ccc(B7OC(C)(C)C(C)(C)O7)cc6)c5)CCC4(C)C3CCC12C MOL41783
-Cc1cc(S(=O)(=O)NC2=NNC(C)CN2)c(S)cc1Cl MOL41784
-COC(=O)c1cc(S(=O)(=O)NC2=NNC(C)CN2)c(S)cc1Cl MOL41785
-CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S)=NN1 MOL41786
-CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S)=NN1 MOL41787
-CC1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)c(Cl)cc2S)=NN1 MOL41788
-Cc1cc(S(=O)(=O)Nc2nc3cscc3c(=O)n2N)c(S)cc1Cl MOL41789
-Cc1cc(S(=O)(=O)Nc2nc3ccsc3c(=O)n2N)c(S)cc1Cl MOL41790
-Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2N)c(S)cc1Cl MOL41791
-Cc1cc(S(=O)(=O)Nc2nc3ccccc3c(=O)n2N)c(S)cc1Cl MOL41792
-Cc1cc(S(=O)(=O)NC2=NCCN2Cc2ccccc2)c(S)cc1Cl MOL41793
-Cc1cc(S(=O)(=O)N=C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(S)cc1Cl MOL41794
-Cc1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(S)cc1Cl MOL41795
-Cc1cc(S(=O)(=O)NC2=Nc3ccccc3C(c3ccccc3)N2)c(S)cc1Cl MOL41796
-Cc1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)c(S)cc1Cl MOL41797
-O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl MOL41798
-O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl MOL41799
-Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3nc4cccnc4[nH]3)c(SSc3cc(Cl)c(C(=O)Nc4ccc(C)cc4)cc3S(=O)(=O)Nc3nc4cccnc4[nH]3)cc2Cl)cc1 MOL41800
-O=C(Nc1ccccc1)c1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)c(SSc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1Cl MOL41801
-O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)c(SSc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3)cc2S(=O)(=O)NC2=Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1Cl MOL41802
-CC1=NN(c2nc(N)nc(-c3sccc3N)n2)C(C)(C)C1 MOL41803
-CC1=NN(c2nc(N)nc(CC(=N)NO)n2)C(C)(C)C1 MOL41804
-CC(C)CCCC(C)C1CCC2C1CCC1C3(C)CCC(CCC=C(c4cc(Cl)c(OCC(=O)O)c(C(=O)O)c4)c4cc(Cl)c(OCC(=O)O)c(C(=O)O)c4)CC3CCC21C MOL41805
-CC(C)=CC1CC(C)c2c(O)cc(C)c3c2C1=C(C)C(=O)C3=O MOL41806
-CC(C)=CC1CC(C)C2CCC(C)C3C(=O)C(O)=C(C)C(=O)C123 MOL41807
-CC1CCC2C(C)CC3C4C(C)(C)OC(=O)C4(C)C(=O)C23C1=O MOL41808
-CCOC(=O)C12C(=O)C(C)CCC1C(C)CC2C=C(C)C MOL41809
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c(C(=O)OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c5)c5cc(Cl)c(OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c(C(=O)OCc6cccc(B7OC(C)(C)C(C)(C)O7)c6)c5)CCC4(C)C3CCC12C MOL41810
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CSC(COP(=O)(O)OC3CC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)OC3CO)O2)c(=O)n1 MOL41811
-CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1CCC(n2cnc3c(O)ncnc32)O1)COP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] MOL41812
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)CC3OP(=O)(O)OCC3OC(n4ccc(NC(=O)CCCCCCCCCCCCCCC)nc4=O)CS3)O2)c(=O)n1 MOL41813
-CCCCCCCCCCCCCCCC(=O)Nc1ccn(C2CCC(COP(=O)(O)OCC(COP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC)O2)c(=O)n1 MOL41814
-O=C(NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S)c1ccccc1S MOL41815
-O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc21 MOL41816
-O=C(NNC(=O)c1ccccc1S)c1ccccc1S MOL41817
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCC(=O)O)c(C(=O)O)c5)c5cc(Cl)c(OCC(=O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41818
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5cc(Cl)c(OCc6ccc(B(O)O)cc6)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccc(B(O)O)cc6)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41819
-COc1c(Cl)cc(C(=CCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL41820
-COc1c(Cl)cc(C(=CCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL41821
-COC(=O)c1cc(C(=CCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41822
-COC(=O)c1cc(C(=CCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC MOL41823
-CC(=O)Oc1cc(-c2oc3cc(OC(C)=O)c(C4OC(CO)C(O)C(O)C4O)c(OC(C)=O)c3c(=O)c2O)c(OC(C)=O)cc1O MOL41824
-CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1 MOL41825
-CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C=O)c1)c1cc(Cl)c(OC)c(C=O)c1 MOL41826
-OC(c1cnc2sccn12)C(F)(F)Sc1ccccc1 MOL41827
-COc1cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O MOL41828
-COc1cc(C=C2CCCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O MOL41829
-CC(C)(C)c1cc(C=CC(=O)CC(=O)C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O MOL41830
-O=C(C=Cc1ccc(O)c([N+](=O)[O-])c1)CC(=O)C=Cc1ccc(O)c([N+](=O)[O-])c1 MOL41831
-O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)CCCC1=Cc1ccc(O)c([N+](=O)[O-])c1 MOL41832
-O=C(C=Cc1ccc(O)c(F)c1)CC(=O)C=Cc1ccc(O)c(F)c1 MOL41833
-COc1cc(C=C2CCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O MOL41834
-COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC(=O)CCCCC3CCSS3)c(OC)c2)ccc1OC(=O)CCCCC1CCSS1 MOL41835
-COc1cc(C=C2CCCC(=Cc3ccc(OC(=O)CCCCC4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCCC1CCSS1 MOL41836
-CC(C)(C)c1cc(C=C2CCCC(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc(C(C)(C)C)c1O MOL41837
-COc1cc(C=C2CCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O MOL41838
-CCN1CC(C)Cn2c(=S)[nH]c3cc(Br)cc1c32 MOL41839
-CCN1c2cc(Br)cc3[nH]c(=S)n(c23)CCC1C MOL41840
-CC1CCn2c(=S)[nH]c3cccc(c32)N1 MOL41841
-CCc1c(C#N)c(S)nc2c1CCC2 MOL41842
-CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N1 MOL41843
-CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)O)=C(C#N)C2c1ccc(Br)cc1 MOL41844
-COC(=O)CCCC=C(c1cc(F)c(OC)c(C(=O)OC)c1)c1cc(F)c(OC)c(C(=O)OC)c1 MOL41845
-CC1(C)Oc2ccc3ccc(=S)oc3c2C(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)C1OC(=O)C12CCC(C)(C(=O)O1)C2(C)C MOL41846
-C=C(C)C1CCC2(COC(=O)CC(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)CC(=O)O)C(C)(C)C5CCC43C)C12 MOL41847
-CC(CC(=O)O)CC(=O)OCC12CCC(C(C)C)C1C1CCC3C4(C)CCC(OC(=O)CC(C)CC(=O)O)C(C)(C)C4CCC3(C)C1(C)CC2 MOL41848
-C=C(C)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12 MOL41849
-CC(C)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12 MOL41850
-C=C(C)C1CCC2(COC(=O)CC(C)(CC)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(CC)CC(=O)O)C(C)(C)C5CCC43C)C12 MOL41851
-CCC(C)(CC(=O)O)CC(=O)OCC12CCC(C(C)C)C1C1CCC3C4(C)CCC(OC(=O)CC(C)(CC)CC(=O)O)C(C)(C)C4CCC3(C)C1(C)CC2 MOL41852
-C=C(C)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12 MOL41853
-CC(C)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12 MOL41854
-C=C(COC(=O)CC(C)(C)CC(=O)O)C1CCC2(COC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12 MOL41855
-C=C(COC(=O)CC1(CC(=O)O)CCCC1)C1CCC2(COC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(OC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12 MOL41856
-C=C(C)C1CCC2(CNC(=O)CC(C)(C)CC(=O)O)CCC3(C)C(CCC4C5(C)CCC(NC(=O)CC(C)(C)CC(=O)O)C(C)(C)C5CCC43C)C12 MOL41857
-C=C(C)C1CCC2(CNC(=O)CC3(CC(=O)O)CCCC3)CCC3(C)C(CCC4C5(C)CCC(NC(=O)CC6(CC(=O)O)CCCC6)C(C)(C)C5CCC43C)C12 MOL41858
-O=c1c(C=NOCCCCON=Cc2cc3c(cc2[N+](=O)[O-])OCO3)coc2c(Cl)cc(Cl)cc12 MOL41859
-COC(=O)C1OC12C(CO[Si](C)(C)C(C)(C)C)OC(n1cc(C)c(=O)[nH]c1=O)C2O[Si](C)(C)C(C)(C)C MOL41860
-Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OC3C(=O)NO)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41861
-Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OC3C(=O)NN)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41862
-CONC1CC(n2cc(C)c(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL41863
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1CC#N MOL41864
-Cc1c(C(=O)c2ccccc2)n(COCCC[Se]c2ccccc2)c(=O)[nH]c1=O MOL41865
-Cc1cn(C2CC(O[Si](C)(C)C(C)(C)C)C(C[N+](=O)[N-]Nc3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O MOL41866
-CCOC(=O)c1ccc(N[N-][N+](=O)CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)cc1 MOL41867
-Cc1ccc(S(=O)(=O)OCCOC(Cc2ccccc2)n2cc(C)c(=O)[nH]c2=O)cc1 MOL41868
-Cc1cn(COCCCS(=O)c2ccccc2)c(=O)[nH]c1=O MOL41869
-NC(=O)CC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O MOL41870
-[CH2-][N+](=O)CCC1(O)CC(n2ccc(=O)[nH]c2=O)OC1CO[Si](C)(C)C(C)(C)C MOL41871
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CC12CCN(O)CO2 MOL41872
-Cc1cn(C(Cc2ccccc2)OCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O MOL41873
-Cc1cn(C2CC(O)C(CN(O)C(=O)NC3CC(n4cc(C)c(=O)[nH]c4=O)OC3CO)O2)c(=O)[nH]c1=O MOL41874
-CCCCCCCCCCCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O MOL41875
-Cc1cn(COCCCOCC(=O)c2ccccc2)c(=O)[nH]c1=O MOL41876
-CCOC(=O)CC1(O)C(CO[Si](C)(C)C(C)(C)C)OC(n2ccc(=O)[nH]c2=O)C1O[Si](C)(C)C(C)(C)C MOL41877
-Cc1cn(C2CC3C(COC(CCC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O MOL41878
-Cc1cn(C2CC3C(COC(CCCC[Se]c4ccccc4)N3O)O2)c(=O)[nH]c1=O MOL41879
-Cc1cn(C(Cc2ccccc2)OCC[Se]c2ccccc2)c(=O)[nH]c1=O MOL41880
-Cc1c(C(=O)c2ccccc2)n(COCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O MOL41881
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(O)C(N=[N+]=[N-])C(N)=O MOL41882
-CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)C(O[Si](C)(C)C(C)(C)C)C1(O)C(Cl)C(N)=O MOL41883
-Cc1cn(C2CC3C(COC(CC[Se]C#N)N3O)O2)c(=O)[nH]c1=O MOL41884
-C[Se]CCC1OCC2OC(n3cc(C)c(=O)[nH]c3=O)CC2N1O MOL41885
-COc1ccc(C=C2CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(OC)cc2)cc1 MOL41886
-COc1ccc(C=C2CN(C)CC3C2=NC(=S)NC3c2ccc(OC)cc2)cc1 MOL41887
-COc1ccc(C=C2CN(C)CC3=C2OC(N)=C(C#N)C3c2ccc(OC)cc2)cc1 MOL41888
-Cc1ccc(C=C2CN(C)CC3C2=NC(=S)NC3c2ccc(C)cc2)cc1 MOL41889
-Cc1ccc(C=C2CN(C)CC3C2=NN(c2ccccc2)C3c2ccc(C)cc2)cc1 MOL41890
-Cc1ccc(C=C2CN(C)CC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1 MOL41891
-Cc1ccc(C=C2CN(C)CC3C(c4ccc(C)cc4)=C(C#N)C(=O)NC23)cc1 MOL41892
-CN1CC(=Cc2cccs2)C(=O)C(=Cc2cccs2)C1 MOL41893
-CN1CC(=Cc2cccs2)C(O)C(=Cc2cccs2)C1 MOL41894
-CN1CC(=Cc2cccs2)C2=NN(c3ccccc3)C(c3cccs3)C2C1 MOL41895
-CN1CC(=Cc2cccs2)C2=NC(=S)NC(c3cccs3)C2C1 MOL41896
-CN1CC(=Cc2cccs2)C2=C(C1)C(c1cccs1)C(C#N)=C(N)O2 MOL41897
-COc1ccc(C=C2CN(C)Cc3c2nc(O)c(C#N)c3-c2ccc(OC)cc2)cc1 MOL41898
-CN1CC(=Cc2cccs2)c2nc(O)c(C#N)c(-c3cccs3)c2C1 MOL41899
-CN1CC(=Cc2cccs2)C2=NN(C)C(c3cccs3)C2C1 MOL41900
-COc1c(Cl)cc(C(=CCCCCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL41901
-CC(C)CCCC(C)C1CCC2C3CCC4CC(CCC=C(c5ccc(OCc6ccccc6B(O)O)c(C(=O)O)c5)c5cc(Cl)c(OCc6ccccc6B(O)O)c(C(=O)O)c5)CCC4(C)C3CCC12C.[NaH] MOL41902
-COc1c(Cl)cc(C(=CCCCCNC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)c2cc(Cl)c(OC)c(C(=O)O)c2)cc1C(=O)O.N MOL41903
-CC(=CC(=O)OCCCCCCCC(N)=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O MOL41904
-CC(=CC(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C(O)C1OCC(CC=CC(C)C(C)O)C(O)C1O MOL41905
-Cc1ccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL41906
-Cc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)C31 MOL41907
-Cc1cccc(N2C(=O)C3c4[nH]c5ccc(C)cc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1 MOL41908
-CCC1CCC2c3c([nH]c4ccc(C)cc34)C3C(=O)N(N(C)C)C(=O)C3C2C1 MOL41909
-Cc1ccc2[nH]c3c(c2c1)C1CCC(C(C)(C)C)CC1C1C(=O)N(c2ccc4c(c2)OCO4)C(=O)C31 MOL41910
-Cc1ccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)cc1 MOL41911
-Cc1cccc(N2C(=O)C3c4[nH]c5ccccc5c4C4CCC(C(C)(C)C)CC4C3C2=O)c1 MOL41912
-CCCCCC=C(c1cc(Cl)c(OC)c(-c2nc(C)no2)c1)c1cc(Cl)c(OC)c(-c2nc(C)no2)c1 MOL41913
diff --git a/tests/test_rdfilter.py b/tests/test_rdfilter.py
index 36b431f..e3f6e00 100644
--- a/tests/test_rdfilter.py
+++ b/tests/test_rdfilter.py
@@ -1,73 +1,69 @@
-import pkg_resources
 import pytest
 
 from rd_filters import rd_filters
 
 # these just stop on the first filter
-_lint_data = [
-    ("C1N=C1", "aziridine-like N in 3-membered ring > 0"),
-    ("NN=N", "acyclic N-,=N and not N bound to carbonyl or sulfone > 0"),
-]
+_lint_data = {
+    "C1N=C1": {"aziridine-like N in 3-membered ring", "aziridine_diazirine"},
+    "NN=N": {
+        "Azo",
+        "Oxygen-nitrogen single bond",
+        "acyclic N-,=N and not N bound to carbonyl or sulfone",
+        "azo_A(324)",
+        "azo_amino",
+        "diazo group",
+        "hydrazine",
+    },
+    "CN=C": {"imine"},  # WAS "OK"
+    "CN=CC": {r"Filter39_imine", "imine", "acyclic imines"},  # WAS "OK"
+    "CN=NC": {r"Filter5_azo"},
+    "CN=N": {r"Filter5_azo"},
+    "N=N": {r"Filter5_azo"},
+    "{Fe}C": {r"Filter9_metal"},
+    "{FeH}": {r"Filter9_metal"},
+    "{Fe}": {"OK"},
+    "CN=O": {r"Filter12_nitroso"},
+    "N=O": {"Filter12_nitroso"},
+    "S=P": {"Filter13_PS_double_bond"},
+    "S=PC": {"Filter13_PS_double_bond"},
+    "CC=OSC": {"Filter29_thioester"},
+    "CC=SSC": {"Filter29_thioester"},
+    "CC=NSC": {"Filter29_thioester"},
+    "CC=OS": {"Filter29_thioester"},
+    "CC=SS": {"Filter29_thioester"},
+    "CC=NS": {"Filter29_thioester"},
+    "CC=OCCBr": {"Filter26_alkyl_halide"},
+    "CC=OCCI": {"Filter26_alkyl_halide"},
+    "C=OCCI": {"Filter26_alkyl_halide"},
+    "NC=OCCI": {"Filter26_alkyl_halide"},
+    "CC=NOS=ON": {"Filter18_oxime_ester"},
+    "NC=NOP=ON": {"Filter89_hydroxylamine"},
+    "C=NOP=ON": {"Filter18_oxime_ester"},
+    "SO": {"Filter31_so_bond"},
+    "SOC": {"Filter31_so_bond"},
+    "c1csocc1": {"OK"},
+    "OO": {"Filter32_oo_bond"},
+    "COO": {"Filter32_oo_bond"},
+    "c1coocc1": {"OK"},
+    "CC=OC=C": {"Filter44_michael_acceptor2"},
+    "C=OC=C": {"Filter38_aldehyde"},
+    "OC=OC=C": {"Filter44_michael_acceptor2"},
+    "C1=OC=CC=OC=C1": {"Filter53_para_quinones"},
+    "CIC": {"Filter49_halogen"},
+    "CICC": {"Filter49_halogen"},
+    "NC=NO": {"Filter89_hydroxylamine"},
+    "C=ONOS": {"Filter31_so_bond"},
+}
 
-_inpharmatica_data = [
-    ("CN=C", "OK"),
-    ("CN=CC", "Filter39_imine > 0"),
-    ("CN=C(C)", "Filter39_imine > 0"),
-    ("CN=NC", "Filter5_azo > 0"),
-    ("CN=N", "Filter5_azo > 0"),
-    ("N=N", "Filter5_azo > 0"),
-    ("[Fe]C", "Filter9_metal > 0"),
-    ("[FeH]", "Filter9_metal > 0"),
-    ("[Fe]", "OK"),
-    ("CN=O", "Filter12_nitroso > 0"),
-    ("N=O", "Filter12_nitroso > 0"),
-    ("S=P", "Filter13_PS_double_bond > 0"),
-    ("S=PC", "Filter13_PS_double_bond > 0"),
-    ("CC(=O)SC", "Filter29_thioester > 0"),
-    ("CC(=S)SC", "Filter29_thioester > 0"),
-    ("CC(=N)SC", "Filter29_thioester > 0"),
-    ("CC(=O)S", "Filter29_thioester > 0"),
-    ("CC(=S)S", "Filter29_thioester > 0"),
-    ("CC(=N)S", "Filter29_thioester > 0"),
-    ("CC(=O)CCBr", "Filter26_alkyl_halide > 0"),
-    ("CC(=O)CCI", "Filter26_alkyl_halide > 0"),
-    ("C(=O)CCI", "Filter26_alkyl_halide > 0"),
-    ("NC(=O)CCI", "Filter26_alkyl_halide > 0"),
-    ("CC=NOS(=O)N", "Filter18_oxime_ester > 0"),
-    ("NC=NOP(=O)N", "Filter89_hydroxylamine > 0"),
-    ("C=NOP(=O)N", "Filter18_oxime_ester > 0"),
-    ("SO", "Filter31_so_bond > 0"),
-    ("SOC", "Filter31_so_bond > 0"),
-    ("c1csocc1", "OK"),
-    ("OO", "Filter32_oo_bond > 0"),
-    ("COO", "Filter32_oo_bond > 0"),
-    ("c1coocc1", "OK"),
-    ("CC(=O)C=C", "Filter44_michael_acceptor2 > 0"),
-    ("C(=O)C=C", "Filter38_aldehyde > 0"),
-    ("OC(=O)C=C", "Filter44_michael_acceptor2 > 0"),
-    ("C1(=O)C=CC(=O)C=C1", "Filter53_para_quinones > 0"),
-    ("CIC", "Filter49_halogen > 0"),
-    ("CI(C)C", "Filter49_halogen > 0"),
-    ("CC=NOS(=O)N", "Filter18_oxime_ester > 0"),
-    ("NC=NO", "Filter89_hydroxylamine > 0"),
-    ("C(=O)NOS", "Filter31_so_bond > 0"),
-]
 
-
-def test_lint():
-    alerts = rd_filters._read_alerts_file(rd_filters._alerts_file)
-    rf = rd_filters.RDFilters(alerts, [])
-    for input_, expected in _lint_data:
-        actual = list(rf.detect(input_))
-        assert actual == [expected]
-
-
-def test_inpharmatica():
-    alerts = rd_filters._read_alerts_file(rd_filters._alerts_file)
-    rf = rd_filters.RDFilters(alerts, [])
-    input_data = [rd_filters.Input(x, x) for x, y in _inpharmatica_data]
-    results = list(rf.detect_all(input_data))
-    assert [r.violation for r in results] == [x for x, _ in _inpharmatica_data]
+class Test:
+    def test_detect(self):
+        alerts = rd_filters.read_alerts_file(rd_filters.DEFAULT_ALERTS_FILE)
+        rf = rd_filters.RDFilters(alerts, [])
+        for smiles, expected in _lint_data.items():
+            actual = set(rf.detect(smiles))
+            assert actual == expected, f"Invalid result for '{smiles}'"
+            # assert {r.msg for r in actual} == [f"{y}: {x}" for x, y in _inpharmatica_data]
 
 
 if __name__ == "__main__":

From ed4dd51873834f1e38c6b4f5832c646f1782cffb Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:07:40 -0700
Subject: [PATCH 08/14] chore: don't trim whitespace in markdown

---
 .editorconfig | 38 ++++++++++++++++++++++++++++++++++----
 1 file changed, 34 insertions(+), 4 deletions(-)

diff --git a/.editorconfig b/.editorconfig
index bffc04a..4990d25 100644
--- a/.editorconfig
+++ b/.editorconfig
@@ -1,9 +1,15 @@
+# SPDX-FileCopyrightText: Copyright 2020-2023, Contributors to Tyranno
+# SPDX-PackageHomePage: https://github.com/dmyersturnbull/tyranno
+# SPDX-License-Identifier: Apache-2.0
+
 # Check https://editorconfig.org for more information
 # These are derived from https://ukupat.github.io/tabs-or-spaces/
 # The most majority indentation style was selected for each language
 root = true
 
-# 2-space
+# In 2022, most languages are 2-space
+# We assume TypeScript to be 2-space because JavaScript and JSX so strongly are,
+# and we'd rather keep those two consistent.
 [*]
 end_of_line = lf
 charset = utf-8
@@ -12,12 +18,36 @@ indent_size = 2
 trim_trailing_whitespace = true
 insert_final_newline = true
 
-# 4-space
-[*.py]
+[*.md]
+trim_trailing_whitespace = false
+
+# 4-space, traditionally compiled without bytecode or JIT --
+#   Julia, Rust, D, C++, Objective-C, C, Fortran, and Assembly
+# We exclude Fortran fixed-form (e.g. .f/.ftn); these have weird indentation rules
+# C++ is even between 4-space and 2-space, while C is even between 4-space and tab
+[*.{julia,rs,d,cpp,c,m,mm,f[0-9][0-9],inc,h,s,asm}]
+indent_size = 4
+
+# 4-space, generally VM --
+#   Erlang, F#, Python, PHP (in 8+), Java, Kotlin, Groovy (+Gradle), F#, erlang, Swift
+[*.{py,php,java,groovy,gradle,kt,kts,cs,fs,fsx,fsi,erl,swift}]
 indent_size = 4
 
-# CSV-like; no newlines or trimming whitespace
+# 4-space, generally interpreted --
+#   Lua, Vala, Perl, PowerShell, Batch
+# Lua and Vala are about even between 4-space and tab
+[*.{lua,vala,pl,perl,ps1,bat}]
+indent_size = 4
+
+# tab-based --
+#   Go, Haxe, Verilog, System Verilog, SAS, and AutoIt
+[*.{go,hx,v,sv,sas,au3}]
+indent_style = tab
+
+# CSV-like
 [*.{tsv,tab,csv}]
+# do NOT add a newline or trim whitespace
+# indent_style=tab seems safer but is probably not necessary
 indent_style = tab
 trim_trailing_whitespace = false
 insert_final_newline = false

From 08c7e584318a386d072fff9848b42891c78bcf2f Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:09:15 -0700
Subject: [PATCH 09/14] build: call script rd-filters

---
 pyproject.toml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/pyproject.toml b/pyproject.toml
index 71aa129..29b90e5 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -37,7 +37,7 @@ Issues = "https://github.com/PatWalters/rd_filters/issues"
 Changelog = "https://github.com/PatWalters/rd_filters/blob/main/CHANGELOG.md"
 
 [tool.poetry.scripts]
-rd_filters = "rd_filters.rd_filters:cli"
+rd-filters = "rd_filters.rd_filters:cli"
 
 [tool.poetry.dependencies]
 python                        = "^3.11"

From 9f6e7d09b734a08a9473d90739c59faa7cbddb4d Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:18:55 -0700
Subject: [PATCH 10/14] ci: clean up workflows

---
 .github/workflows/publish.yaml   | 2 +-
 .github/workflows/push-main.yaml | 3 ---
 2 files changed, 1 insertion(+), 4 deletions(-)

diff --git a/.github/workflows/publish.yaml b/.github/workflows/publish.yaml
index 07bb791..421f82f 100644
--- a/.github/workflows/publish.yaml
+++ b/.github/workflows/publish.yaml
@@ -34,7 +34,7 @@ jobs:
       - name: Set up Python
         uses: actions/setup-python@v4
         with:
-          python-version: $MAX_PYTHON_VR
+          python-version: "3.11"
       - name: Install build meta-dependencies
         run: pip install $META_DEPS
       - name: Build sdists and wheels with Poetry
diff --git a/.github/workflows/push-main.yaml b/.github/workflows/push-main.yaml
index 4d66a5b..88fba9f 100644
--- a/.github/workflows/push-main.yaml
+++ b/.github/workflows/push-main.yaml
@@ -24,6 +24,3 @@ jobs:
       - name: Test with tox
         run: |
           tox -v
-      #- name: Submit to codecov
-      #  if: runner.os == 'Linux' && $USE_CODECOV
-      #  run: pip install "codecov>=$CODECOV_VR" && codecov

From 8dd53f4b74fef1218bf39d82bd642053af9693ea Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:20:27 -0700
Subject: [PATCH 11/14] doc: move Notes.txt to docs/notes.md

---
 LICENSE => LICENSE.txt |  0
 Notes.txt              | 74 ---------------------------------
 docs/notes.md          | 93 ++++++++++++++++++++++++++++++++++++++++++
 3 files changed, 93 insertions(+), 74 deletions(-)
 rename LICENSE => LICENSE.txt (100%)
 delete mode 100644 Notes.txt
 create mode 100644 docs/notes.md

diff --git a/LICENSE b/LICENSE.txt
similarity index 100%
rename from LICENSE
rename to LICENSE.txt
diff --git a/Notes.txt b/Notes.txt
deleted file mode 100644
index cb67dab..0000000
--- a/Notes.txt
+++ /dev/null
@@ -1,74 +0,0 @@
-The RDKit was not able to parse some of the SMARTS in the structural_alerts table in ChEMBL.  I modified the SMARTS so that
-the patterns could be parsed.  I'm pretty sure I didn't alter the original intent of the SMARTS.  This document lists the
-changes I made and why I made them.  Each record consists of
-* The rule number
-* The original SMARTS
-* The reason the RDKit couldn't parse the SMARTS
-* My new version of the SMARTS
-The file alert_collection.csv contains the edited SMARTS where applicable.
-
-rule 194
-[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(CF2)]-[N,n]
-As Andrew Dalke pointed out, CF2 should actually be C(F)F
-[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]
-
-
-rule 196
-Parse Error: unclosed ring for input: '[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$(CF2)][F,Cl,Br,I,$(O(S(=O)(=O)))]'
-The RDKit isn't happy when CF2 is not in brackets make it [CF2]
-[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$([CF2])][F,Cl,Br,I,$(O(S(=O)(=O)))]
-
-rule 245
-SMARTS Parse Error: unclosed ring for input: '[CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0]'
-The RDKit isn't happy when CF2 is not in brackets make it [CF2]
-[CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0]
-
-rule 339
-[17:05:35] SMARTS Parse Error: syntax error for input: '[[CH;!R];!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])'
-Remove unnecessary square breackets at the beginning on [CH;!R]
-[CH;!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])
-
-rule 983
-SMARTS Parse Error: syntax error for input: '[2H,3H,11C,11c,14C,14c,125I,32P,33P,35S]'
-Versions of the RDKit prior to 2018-06 could not handle deuterium as [2H] or tritium as [3H] changed to [2#1] and [3#1]
-[2#1,3#1,11C,11c,14C,14c,125I,32P,33P,35S]
-
-rule 1040
-SMARTS Parse Error: syntax error for input: '[N,C,S,O]-&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]'
-The RDKit doesn't like implict bond orders when specifying non-ring bonds e.g. "&!@" replace with "-&!@"
-[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]
-
-rule 1053
-SMARTS Parse Error: syntax error for input: 'ac-*=&!@*-&!@C(=O)&!@ca'
-The RDKit doesn't like implict bond orders when specifying non-ring bonds e.g. "&!@" replace with "-&!@"
-ac-*=&!@*-&!@C(=O)-&!@ca
-
-rule 1072
-SMARTS Parse Error: syntax error for input: '[#6,#7]&!@[#6](=&!@[CH])&!@C(=O)-&!@[C,N,O,S]'
-The RDKit doesn't like implict bond orders when specifying non-ring bonds e.g. "&!@" replace with "-&!@"
-[#6,#7]-&!@[#6](=&!@[CH])-&!@C(=O)-&!@[C,N,O,S]
-
-rule 1079
-SMARTS Parse Error: syntax error for input: '*-C(=O)-&!@[NH]-C&!@C(=O)-&!@[NH]-*'
-The RDKit doesn't like implict bond orders when specifying non-ring bonds e.g. "&!@" replace with "-&!@"
-*-C(=O)-&!@[NH]-C-&!@C(=O)-&!@[NH]-*
-
-rule 1085
-SMARTS Parse Error: syntax error for input: '([#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6])'
-Removed unnecessary leading and trailing parens
-[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6]
-
-rule 1092
-SMARTS Parse Error: syntax error for input: 'c12cccc(C(=O)N(&!@C)C(=O)3)c2c3ccc1'
-The RDKit doesn't like implict bond orders when specifying non-ring bonds e.g. "&!@" replace with "-&!@"
-c12cccc(C(=O)N(-&!@C)C(=O)3)c2c3ccc1
-
-rule 1137
-[2H,3H,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]
-Versions of the RDKit prior to 2018-06 could not handle deuterium as [2H] or tritium as [3H] changed to [2#1] and [3#1]
-[2#1,3#1,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]
-
-rule 1140
-SMARTS Parse Error: syntax error for input: 'Si~O'
-The RDKit can't handle silicon with out brackets change to [Si]
-[Si]~O
diff --git a/docs/notes.md b/docs/notes.md
new file mode 100644
index 0000000..51a730d
--- /dev/null
+++ b/docs/notes.md
@@ -0,0 +1,93 @@
+# Notes
+
+RDKit was not able to parse some of the SMARTS in the structural_alerts table in ChEMBL.
+I modified the SMARTS so that the patterns could be parsed.
+I'm pretty sure I didn't alter the original intent of the SMARTS.
+This document lists the changes I made and why I made them.
+
+Each record consists of
+
+- The rule number
+- The original SMARTS
+- The reason the RDKit couldn't parse the SMARTS
+- My new version of the SMARTS
+
+The file `alerts.csv` contains the edited SMARTS where applicable.
+
+## rule 194
+
+`[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(CF2)]-[N,n]`
+As Andrew Dalke pointed out, `CF2` should actually be `C(F)F`
+`[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]`
+
+## rule 196
+
+`Parse Error: unclosed ring for input: '[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$(CF2)][F,Cl,Br,I,$(O(S(=O)(=O)))]'`
+The RDKit isn't happy when `CF2` is not in brackets make it `[CF2]`
+`[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$([CF2])][F,Cl,Br,I,$(O(S(=O)(=O)))]`
+
+## rule 245
+
+`SMARTS Parse Error: unclosed ring for input: '[CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0][CH2,$(CF2);R0]'`
+The RDKit isn't happy when `CF2` is not in brackets make it `[CF2]`
+`[CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0][CH2,$([CF2]);R0]`
+
+## rule 339
+
+`[17:05:35] SMARTS Parse Error: syntax error for input: '[[CH;!R];!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])'`
+Remove unnecessary square brackets at the beginning on `[CH;!R]`
+`[CH;!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])`
+
+## rule 983
+
+`SMARTS Parse Error: syntax error for input: '[2H,3H,11C,11c,14C,14c,125I,32P,33P,35S]'`
+Versions of the RDKit prior to 2018-06 could not handle deuterium as `[2H]` or tritium as `[3H]` changed to `[2#1]` and `[3#1]`
+`[2#1,3#1,11C,11c,14C,14c,125I,32P,33P,35S]`
+
+## rule 1040
+
+`SMARTS Parse Error: syntax error for input: '[N,C,S,O]-&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]&!@[N,C,S,O]'`
+The RDKit doesn't like implicit bond orders when specifying non-ring bonds e.g. `&!@` replace with `-&!@`
+`[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]`
+
+## rule 1053
+
+`SMARTS Parse Error: syntax error for input: 'ac-*=&!@*-&!@C(=O)&!@ca'`
+The RDKit doesn't like implicit bond orders when specifying non-ring bonds e.g. `&!@` replace with `-&!@`
+`ac-*=&!@*-&!@C(=O)-&!@ca`
+
+## rule 1072
+
+`SMARTS Parse Error: syntax error for input: '[#6,#7]&!@[#6](=&!@[CH])&!@C(=O)-&!@[C,N,O,S]'`
+The RDKit doesn't like implicit bond orders when specifying non-ring bonds e.g. `&!@` replace with `-&!@`
+`[#6,#7]-&!@[#6](=&!@[CH])-&!@C(=O)-&!@[C,N,O,S]`
+
+## rule 1079
+
+`SMARTS Parse Error: syntax error for input: '*-C(=O)-&!@[NH]-C&!@C(=O)-&!@[NH]-*'`
+The RDKit doesn't like implicit bond orders when specifying non-ring bonds e.g. `&!@` replace with `-&!@`
+`*-C(=O)-&!@[NH]-C-&!@C(=O)-&!@[NH]-*`
+
+## rule 1085
+
+`SMARTS Parse Error: syntax error for input: '([#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6])'`
+Removed unnecessary leading and trailing parens
+`[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6]`
+
+## rule 1092
+
+`SMARTS Parse Error: syntax error for input: 'c12cccc(C(=O)N(&!@C)C(=O)3)c2c3ccc1'`
+The RDKit doesn't like implicit bond orders when specifying non-ring bonds e.g. `&!@` replace with `-&!@`
+`c12cccc(C(=O)N(-&!@C)C(=O)3)c2c3ccc1`
+
+## rule 1137
+
+`[2H,3H,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]`
+Versions of the RDKit prior to 2018-06 could not handle deuterium as `[2H]` or tritium as `[3H]` changed to `[2#1]` and `[3#1]`
+`[2#1,3#1,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]`
+
+## rule 1140
+
+`SMARTS Parse Error: syntax error for input: 'Si~O'`
+The RDKit can't handle silicon without brackets change to `[Si]`
+`[Si]~O`

From 6422a2b1f69377ecf5dcd9945a892d49bc4545ee Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:23:40 -0700
Subject: [PATCH 12/14] chore: use ruff instead

---
 .pre-commit-config.yaml  | 28 +++---------
 pyproject.toml           | 93 ++++++++++++++++++++++++++++++++++++++++
 rd_filters/rd_filters.py | 49 +++++++++++----------
 tests/__init__.py        |  0
 tests/test_rdfilter.py   |  4 +-
 5 files changed, 128 insertions(+), 46 deletions(-)
 create mode 100644 tests/__init__.py

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 974d46f..3ee84a8 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -24,31 +24,15 @@ repos:
       - id: commitizen
         stages: ["commit-msg"]
     repo: https://github.com/commitizen-tools/commitizen
-    rev: v3.5.2
+    rev: v3.6.0
 
   # --- Linters ---
-
-  - repo: https://github.com/asottile/pyupgrade
-    rev: v3.7.0
-    hooks:
-      - id: pyupgrade
-        args: [--py310-plus]
-
-  - repo: https://github.com/pycqa/isort
-    rev: 5.12.0
-    hooks:
-      - id: isort
-        args: [--profile, black]
-
-  - repo: https://github.com/psf/black
-    rev: 23.3.0
-    hooks:
-      - id: black
-
-  - repo: https://github.com/asottile/blacken-docs
-    rev: 1.14.0
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.0.280
     hooks:
-      - id: blacken-docs
+      - id: ruff
+        args: [--fix-only]
+        types_or: [python, pyi, jupyter]
 
   - repo: https://github.com/pre-commit/mirrors-prettier
     rev: v2.7.1
diff --git a/pyproject.toml b/pyproject.toml
index 29b90e5..2534731 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -50,6 +50,14 @@ coverage                      = {version = "^7", extras = ["toml"]}
 pre-commit                    = "^3.3"
 pytest                        = "^7"
 pytest-cov                    = "^4"
+ruff                          = ">=0.0.280"
+
+[tool.commitizen]
+# Remove when major version > 0
+major_version_zero = true
+version_scheme = "semver"
+version = "0.2.0"
+bump_message = "chore: bump version $current_version → $new_version"
 
 [tool.pytest.ini_options]
 log_cli = true
@@ -76,3 +84,88 @@ line-length = 100
 [tool.isort]
 profile = "black"
 line_length = 100
+
+[tool.ruff]
+line-length = 120
+include = [
+  "*.py",            # Source
+  "*.pyi",           # Compiled
+  "pyproject.toml",  # This (RUF checks)
+  "*.ipynb"          # Jupyter notebooks
+]
+select = [
+  "A",        # flake8-builtins
+  "ANN",      # flake8-annotations
+  "ASYNC",    # flake8-async
+  "B",        # flake8-bugbear
+  "BLE",      # flake8-blind-exception
+  "C",        # flake8-comprehensions
+  "COM",      # flake8-commas
+  "DTZ",      # flake8-datetimez
+  "EM",       # flake8-errmsg
+  "F",        # pyflakes
+  "FA",       # flake8-future-annotations
+  "E",        # flake8 errors (most fixed by black; rest are nitpicky)
+  "G",        # flake8-logging-concat
+  "I",        # isort
+  "INP",      # flake8-no-pep420
+  "ISC",      # flake8-implicit-str-concat
+  "N",        # flake8-naming
+  "NPY",      # numpy-specific rules
+  "PERF",     # perflint
+  "PGH",      # pygrep-hooks
+  "PIE",      # flake8-pie
+  "PL",       # pylint
+  "PTH",      # flake8-use-pathlib
+  "Q",        # flake8-quotes
+  "RUF",      # Ruff-specific tests
+  "S",        # bandit
+  "SIM",      # flake8-simplify
+  "SLOT",     # flake8-slots
+  "T10",      # debugger
+  "TCH",      # flake8-type-checking
+  "TID",      # flake8-tidy-imports (mostly bans relative imports)
+  "UP",       # pyupgrade
+  "W",        # warnings (most fixed by Black, but W605 is invalid escape char)
+  "YTT",      # flake8-2020 (unlikely problematic checks for Python version)
+  "RUF"       # Ruff-specific rules
+]
+exclude = [
+  "ARG",      # flake8-unused (unused parameters are almost always intentional, like when overriding)
+  "FBT",      # flake8-boolean-trap (debatable, and might not have a choice)
+  "ICN",      # flake8-import-conventionals (isort does this)
+]
+ignore = [
+  "A003",     # class attributes shadowing
+  "COM812",   # don't require trailing comma -- let black handle
+  "B027",     # Allow non-abstract empty methods in abstract base classes
+  "FBT003",   # Allow boolean positional values in function calls, like `dict.get(... True)`
+  "C901",     # Ignore complexity:
+  "PLR0911",
+  "PLR0912",
+  "PLR0913",
+  "PLR0915",
+  "D107",     # Missing docstring in __init__ (put in class docstring)
+  "D212",     # Multi-line docstring start (contradictory)
+  "E225",     # Missing whitespace around operator (sometimes useful to condense)
+  "E501",     # Line > 79 chars (we use black)
+]
+unfixable = [
+  "F401",     # Don't touch unused imports
+  "RUF100",   # Unused noqa (should fix manually)
+]
+flake8-bandit.check-typed-exception = true
+pydocstyle.convention = "google"
+isort.known-first-party = ["tyranno"]
+flake8-tidy-imports.ban-relative-imports = "all"
+
+[tool.ruff.per-file-ignores]
+"tests/**/*" = [
+  "PLR2004",  # magic values
+  "S101",     # assert
+  "TID252",   # relative imports
+  "S105",     # Ignore checks for possible passwords
+  "S106",
+  "S107",
+  "S108",     # Harcoded temp file
+]
diff --git a/rd_filters/rd_filters.py b/rd_filters/rd_filters.py
index 5d9928b..bd58c9d 100644
--- a/rd_filters/rd_filters.py
+++ b/rd_filters/rd_filters.py
@@ -9,16 +9,16 @@
 from pathlib import Path
 from typing import Any, Self
 
-try:
-    from typing import Annotated
-except ImportError:
-    from typing import Annotated
-
 import pkg_resources
 import typer
 from rdkit import Chem
 from rdkit.Chem import Descriptors
 
+try:
+    from typing import Annotated
+except ImportError:
+    from typing import Annotated
+
 DEFAULT_ALERTS_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/alerts.csv"))
 DEFAULT_RULES_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/rules.json"))
 
@@ -46,11 +46,11 @@ class Alert:
     priority: int
 
     @functools.cached_property
-    def mol(self) -> str:
+    def mol(self: Self) -> str:
         return Chem.MolFromSmarts(self.smarts)
 
     @property
-    def name(self) -> str:
+    def name(self: Self) -> str:
         return f"{self.name}:{self.description.replace(' ', '-')}"
 
 
@@ -62,7 +62,7 @@ class Rule:
     max: float
 
     @property
-    def name(self) -> str:
+    def name(self: Self) -> str:
         if self.id is None:
             return self.property
         return self.id
@@ -81,7 +81,7 @@ class Violation:
     violation: str
 
     @property
-    def msg(self) -> str:
+    def msg(self: Self) -> str:
         return f"{self.id}: {self.violation}"
 
 
@@ -106,7 +106,7 @@ class RDFilters:
     rules: list[Rule]
 
     @classmethod
-    def from_files(cls, *, alerts: Path, rules: Path, exclude: set[str] | None = None) -> Self:
+    def from_files(cls: type[Self], *, alerts: Path, rules: Path, exclude: set[str] | None = None) -> Self:
         if exclude is None:
             exclude = set()
         return cls(
@@ -114,26 +114,29 @@ def from_files(cls, *, alerts: Path, rules: Path, exclude: set[str] | None = Non
             rules=[r for r in read_rules_file(rules) if r.property in exclude],
         )
 
-    def __post_init__(self):
+    def __post_init__(self: Self) -> None:
         for rule in self.rules:
             if rule.property not in _rule_fns:
-                raise KeyError(f"Property '{rule.property}' of rule '{rule.name} is unknown")
+                _msg = f"Property '{rule.property}' of rule '{rule.name} is unknown"
+                raise KeyError(_msg)
 
-    def filter(self, inputs: Iterable[Input]) -> Generator[Input]:
+    def filter(self: Self, inputs: Iterable[Input]) -> Generator[Input]:
         for inp in inputs:
             try:
                 next(iter(self.detect(inp.smiles)))
-            except StopIteration:
+            except StopIteration:  # noqa: PERF203
                 yield inp
 
-    def detect_all(self, inputs: Iterable[Input]) -> Generator[Violation]:
+    def detect_all(self: Self, inputs: Iterable[Input]) -> Generator[Violation]:
         for inp in inputs:
+            ok = False
             for msg in self.detect(inp.smiles):
                 yield Violation(inp.smiles, inp.id, msg)
-            else:
+                ok = False
+            if ok:
                 yield Violation(inp.smiles, inp.id, "OK")
 
-    def detect(self, smiles: str) -> Generator[str]:
+    def detect(self: Self, smiles: str) -> Generator[str]:
         mol = Chem.MolFromSmiles(smiles)
         if mol is None:
             yield "INVALID"
@@ -157,8 +160,8 @@ class Filter:
     out: Callable[[Violation], Any]
     rf: RDFilters
 
-    def __call__(self, data: Path):
-        def fn(task):
+    def __call__(self: Self, data: Path) -> None:
+        def fn(task: Input) -> None:
             for v in self.rf.detect_all([task]):
                 self.out(v)
 
@@ -198,11 +201,11 @@ def report(
         ),
     ],
     num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)],
-):
+) -> None:
     exclude = {s.strip() for s in exclude.split(",")}
     rf = RDFilters.from_files(alerts=alerts, rules=rules, exclude=exclude)
 
-    def fn(task):
+    def fn(task: Input) -> None:
         for v in rf.detect_all([task]):
             print(v.msg)
 
@@ -242,11 +245,11 @@ def filter_ok(
         ),
     ],
     num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)],
-):
+) -> None:
     exclude = {s.strip() for s in exclude.split(",")}
     rf = RDFilters.from_files(alerts=alerts, rules=rules, exclude=exclude)
 
-    def fn(task):
+    def fn(task: Input) -> None:
         for v in rf.filter([task]):
             print(v.id)
 
diff --git a/tests/__init__.py b/tests/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/tests/test_rdfilter.py b/tests/test_rdfilter.py
index e3f6e00..2b40caf 100644
--- a/tests/test_rdfilter.py
+++ b/tests/test_rdfilter.py
@@ -1,3 +1,5 @@
+from typing import Self
+
 import pytest
 
 from rd_filters import rd_filters
@@ -57,7 +59,7 @@
 
 
 class Test:
-    def test_detect(self):
+    def test_detect(self: Self) -> None:
         alerts = rd_filters.read_alerts_file(rd_filters.DEFAULT_ALERTS_FILE)
         rf = rd_filters.RDFilters(alerts, [])
         for smiles, expected in _lint_data.items():

From 3d60a9fe2a3afaa8ab7bf8eb901f2bc8585b0fa2 Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Mon, 31 Jul 2023 20:53:58 -0700
Subject: [PATCH 13/14] ci: small improvements

---
 .github/workflows/publish.yaml |  2 +-
 pyproject.toml                 | 10 ++++------
 2 files changed, 5 insertions(+), 7 deletions(-)

diff --git a/.github/workflows/publish.yaml b/.github/workflows/publish.yaml
index 421f82f..77962e2 100644
--- a/.github/workflows/publish.yaml
+++ b/.github/workflows/publish.yaml
@@ -36,7 +36,7 @@ jobs:
         with:
           python-version: "3.11"
       - name: Install build meta-dependencies
-        run: pip install $META_DEPS
+        run: pip install .
       - name: Build sdists and wheels with Poetry
         run: |
           poetry build
diff --git a/pyproject.toml b/pyproject.toml
index 2534731..aa9bcb5 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,8 +1,5 @@
-[metadata]
-description-file = "README.md"
-
 [build-system]
-requires = ["poetry>=1.5,<2", "virtualenv>=20.0.33", "wheel>=0.37,<1.0"]
+requires = ["poetry-core>=1.6,<2", "virtualenv>=20.0.33", "wheel>=0.37,<1.0"]
 build-backend = "poetry.masonry.api"
 
 [tool.poetry]
@@ -15,8 +12,9 @@ license = "MIT"
 readme = "README.md"
 keywords = ["chemistry", "alerts", "chembl", "rdkit"]
 homepage = "https://github.com/PatWalters/rd_filters"
-repository = "https://github.com/PatWalters/rd_filters"
-documentation = "https://github.com/PatWalters/rd_filters"
+Source = "https://github.com/PatWalters/rd_filters"
+Documentation = "https://github.com/PatWalters/rd_filters"
+Tracker = "https://github.com/PatWalters/rd_filters/issues"
 classifiers = [
     "Development Status :: 3 - Alpha",
     "Natural Language :: English",

From 79fabb39cea294499a640e9da2d8109a2c6571c1 Mon Sep 17 00:00:00 2001
From: Douglas Myers-Turnbull <dmyersturnbull@gmail.com>
Date: Tue, 1 Aug 2023 12:14:47 -0700
Subject: [PATCH 14/14] feat: optionally return json

---
 rd_filters/data/alerts.csv | 2504 ++++++++++++++++++------------------
 rd_filters/rd_filters.py   |  334 +++--
 tests/test_rdfilter.py     |   15 +-
 3 files changed, 1459 insertions(+), 1394 deletions(-)

diff --git a/rd_filters/data/alerts.csv b/rd_filters/data/alerts.csv
index ee563a5..794e455 100644
--- a/rd_filters/data/alerts.csv
+++ b/rd_filters/data/alerts.csv
@@ -1,1252 +1,1252 @@
-id,description,smarts,group,priority
-1,R1 Reactive alkyl halides,"[Br,Cl,I][CX4;CH,CH2]",Glaxo,8
-2,R2 Acid halides,"[S,C](=[O,S])[F,Br,Cl,I]",Glaxo,8
-3,R3 Carbazides,O=CN=[N+]=[N-],Glaxo,8
-4,R4 Sulphate esters,"COS(=O)O[C,c]",Glaxo,8
-5,R5 Sulphonates,"COS(=O)(=O)[C,c]",Glaxo,8
-6,R6 Acid anhydrides,C(=O)OC(=O),Glaxo,8
-7,R7 Peroxides,OO,Glaxo,8
-8,R8 Pentafluorophenyl esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),Glaxo,8
-9,R9 Paranitrophenyl esters,C(=O)Oc1ccc(N(=O)~[OX1])cc1,Glaxo,8
-10,R10 esters of HOBT,C(=O)Onnn,Glaxo,8
-11,R11 Isocyanates & Isothiocyanates,"N=C=[S,O]",Glaxo,8
-12,R12 Triflates,OS(=O)(=O)C(F)(F)F,Glaxo,8
-13,R13 lawesson's reagent and derivatives,P(=S)(S)S,Glaxo,8
-14,R14 phosphoramides,NP(=O)(N)N,Glaxo,8
-15,R15 Aromatic azides,cN=[N+]=[N-],Glaxo,8
-16,R16 beta carbonyl quaternary Nitrogen,"C(=O)C[N+,n+]",Glaxo,8
-17,R17 acylhydrazide,[N;R0][N;R0]C(=O),Glaxo,8
-18,"R18 Quaternary C, Cl, I, P or S","[C+,Cl+,I+,P+,S+]",Glaxo,8
-19,R19 Phosphoranes,C=P,Glaxo,8
-20,R20 Chloramidines,[Cl]C([C&R0])=N,Glaxo,8
-21,R21 Nitroso,[N&D2](=O),Glaxo,8
-22,R22 P/S Halides,"[P,S][Cl,Br,F,I]",Glaxo,8
-23,R23 Carbodiimide,N=C=N,Glaxo,8
-24,R24 Isonitrile,[N+]#[C-],Glaxo,8
-25,R25 Triacyloximes,C(=O)N(C(=O))OC(=O),Glaxo,8
-26,R26 Cyanohydrins,N#CC[OH],Glaxo,8
-27,R27 Acyl cyanides,N#CC(=O),Glaxo,8
-28,R28 Sulfonyl cyanides,S(=O)(=O)C#N,Glaxo,8
-29,R29 Cyanophosphonates,P(OCC)(OCC)(=O)C#N,Glaxo,8
-30,R30 Azocyanamides,[N;R0]=[N;R0]C#N,Glaxo,8
-31,R31 Azoalkanals,[N;R0]=[N;R0]CC=O,Glaxo,8
-32,I1 Aliphatic methylene chains 7 or more long,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],Glaxo,8
-33,I2 Compounds with 4 or more acidic groups,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",Glaxo,8
-34,I3 Crown ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],Glaxo,8
-35,I4 Disulphides,SS,Glaxo,8
-36,I5 Thiols,[SH],Glaxo,8
-37,"I6 Epoxides, Thioepoxides, Aziridines","C1[O,S,N]C1",Glaxo,8
-38,"I7 2,4,5 trihydroxyphenyl",c([OH])c([OH])c([OH]),Glaxo,8
-39,"I8 2,3,4 trihydroxyphenyl",c([OH])c([OH])cc([OH]),Glaxo,8
-40,I9 Hydrazothiourea,N=NC(=S)N,Glaxo,8
-41,I10 Thiocyanate,SC#N,Glaxo,8
-42,I11 Benzylic quaternary Nitrogen,cC[N+],Glaxo,8
-43,I12 Thioesters,"C[O,S;R0][C;R0](=S)",Glaxo,8
-44,I13 Cyanamides,N[CH2]C#N,Glaxo,8
-45,I14 Four membered lactones,C1(=O)OCC1,Glaxo,8
-46,I15 Di and Triphosphates,P(=O)([OH])OP(=O)[OH],Glaxo,8
-47,I16 Betalactams,N1CCC1=O,Glaxo,8
-48,N1 Quinones,O=C1[#6]~[#6]C(=O)[#6]~[#6]1,Glaxo,8
-49,N2 Polyenes,C=CC=CC=CC=C,Glaxo,8
-50,N3 Saponin derivatives,O1CCCCC1OC2CCC3CCCCC3C2,Glaxo,8
-51,N4 Cytochalasin derivatives,O=C1NCC2CCCCC21,Glaxo,8
-52,N5 Cycloheximide derivatives,O=C1CCCC(N1)=O,Glaxo,8
-53,N6 Monensin derivatives,O1CCCCC1C2CCCO2,Glaxo,8
-54,N7 Cyanidin derivatives,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,Glaxo,8
-55,N8 Squalestatin derivatives,C12OCCC(O1)CC2,Glaxo,8
-56,> 2 ester groups,"C(=O)O[C,H1].C(=O)O[C,H1].C(=O)O[C,H1]",Dundee,4
-57,2-halo pyridine,"n1c([F,Cl,Br,I])cccc1",Dundee,4
-58,acid halide,"C(=O)[Cl,Br,I,F]",Dundee,4
-59,acyclic C=C-O,C=[C!r]O,Dundee,4
-60,acyl cyanide,N#CC(=O),Dundee,4
-61,acyl hydrazine,C(=O)N[NH2],Dundee,4
-62,aldehyde,[CH1](=O),Dundee,4
-63,Aliphatic long chain,[R0;D2][R0;D2][R0;D2][R0;D2],Dundee,4
-64,alkyl halide,"[CX4][Cl,Br,I]",Dundee,4
-65,amidotetrazole,c1nnnn1C=O,Dundee,4
-66,aniline,c1cc([NH2])ccc1,Dundee,4
-67,azepane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4
-68,Azido group,N=[N+]=[N-],Dundee,4
-69,Azo group,N#N,Dundee,4
-70,azocane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4
-71,benzidine,"[cR2]1[cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2][cR2]1[cR2]2[cR2][cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2]2",Dundee,4
-72,beta-keto/anhydride,"[C,c](=O)[CX4,CR0X3,O][C,c](=O)",Dundee,4
-73,biotin analogue,C12C(NC(N1)=O)CSC2,Dundee,4
-74,Carbocation/anion,"[C+,c+,C-,c-]",Dundee,4
-75,catechol,"c1c([OH])c([OH,NH2,NH])ccc1",Dundee,4
-76,charged oxygen or sulfur atoms,"[O+,o+,S+,s+]",Dundee,4
-77,chinone,"C1(=[O,N])C=CC(=[O,N])C=C1",Dundee,4
-78,chinone,"C1(=[O,N])C(=[O,N])C=CC=C1",Dundee,4
-79,conjugated nitrile group,C=[C!r]C#N,Dundee,4
-80,crown ether,"[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]",Dundee,4
-81,cumarine,c1ccc2c(c1)ccc(=O)o2,Dundee,4
-82,cyanamide,N[CH2]C#N,Dundee,4
-83,cyanate/aminonitrile/thiocyanate,"[N,O,S]C#N",Dundee,4
-84,cyanohydrins,N#CC[OH],Dundee,4
-85,cycloheptane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4
-86,cycloheptane,[CR2]1[CR2][CR2]cc[CR2][CR2]1,Dundee,4
-87,cyclooctane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4
-88,cyclooctane,[CR2]1[CR2][CR2]cc[CR2][CR2][CR2]1,Dundee,4
-89,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])c([N+0X3R0,nX3R0])[cR2][cR2]1",Dundee,4
-90,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2]c([N+0X3R0,nX3R0])[cR2]1",Dundee,4
-91,diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2][cR2]c1([N+0X3R0,nX3R0])",Dundee,4
-92,diazo group,[N!R]=[N!R],Dundee,4
-93,diketo group,"[C,c](=O)[C,c](=O)",Dundee,4
-94,disulphide,SS,Dundee,4
-95,enamine,[CX2R0][NX3R0],Dundee,4
-96,ester of HOBT,C(=O)Onnn,Dundee,4
-97,four member lactones,C1(=O)OCC1,Dundee,4
-98,halogenated ring,"c1cc([Cl,Br,I,F])cc([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4
-99,halogenated ring,"c1ccc([Cl,Br,I,F])c([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4
-100,heavy metal,"[Hg,Fe,As,Sb,Zn,Se,se,Te,B,Si]",Dundee,4
-101,het-C-het not in ring,"[NX3R0,NX4R0,OR0,SX2R0][CX4][NX3R0,NX4R0,OR0,SX2R0]",Dundee,4
-102,hydantoin,C1NC(=O)NC(=O)1,Dundee,4
-103,hydrazine,N[NH2],Dundee,4
-104,hydroquinone,"[OH]c1ccc([OH,NH2,NH])cc1",Dundee,4
-105,hydroxamic acid,C(=O)N[OH],Dundee,4
-106,imine,C=[N!R],Dundee,4
-107,imine,"N=[CR0][N,n,O,S]",Dundee,4
-108,iodine,I,Dundee,4
-109,isocyanate,N=C=O,Dundee,4
-110,isolated alkene,"[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]=[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]",Dundee,4
-111,ketene,C=C=O,Dundee,4
-112,"methylidene-1,3-dithiole",S1C=CSC1=S,Dundee,4
-113,Michael acceptor,"C=!@CC=[O,S]",Dundee,4
-114,Michael acceptor,"[$([CH]),$(CC)]#CC(=O)[C,c]",Dundee,4
-115,Michael acceptor,"[$([CH]),$(CC)]#CS(=O)(=O)[C,c]",Dundee,4
-116,Michael acceptor,C=C(C=O)C=O,Dundee,4
-117,Michael acceptor,"[$([CH]),$(CC)]#CC(=O)O[C,c]",Dundee,4
-118,N oxide,"[NX2,nX3][OX1]",Dundee,4
-119,"N-acyl-2-amino-5-mercapto-1,3,4-thiadiazole",s1c(S)nnc1NC=O,Dundee,4
-120,N-C-halo,"NC[F,Cl,Br,I]",Dundee,4
-121,N-halo,"[NX3,NX4][F,Cl,Br,I]",Dundee,4
-122,N-hydroxyl pyridine,n[OH],Dundee,4
-123,nitro group,[N+](=O)[O-],Dundee,4
-124,N-nitroso,[#7]-N=O,Dundee,4
-125,oxime,"[C,c]=N[OH]",Dundee,4
-126,oxime,"[C,c]=NOC=O",Dundee,4
-127,Oxygen-nitrogen single bond,"[OR0,NR0][OR0,NR0]",Dundee,4
-128,perfluorinated chain,[CX4](F)(F)[CX4](F)F,Dundee,4
-129,peroxide,OO,Dundee,4
-130,phenol ester,c1ccccc1OC(=O)[#6],Dundee,4
-131,phenyl carbonate,c1ccccc1OC(=O)O,Dundee,4
-132,phosphor,P,Dundee,4
-133,phthalimide,"[cR,CR]~C(=O)NC(=O)~[cR,CR]",Dundee,4
-134,Polycyclic aromatic hydrocarbon,a1aa2a3a(a1)A=AA=A3=AA=A2,Dundee,4
-135,Polycyclic aromatic hydrocarbon,a21aa3a(aa1aaaa2)aaaa3,Dundee,4
-136,Polycyclic aromatic hydrocarbon,a31a(a2a(aa1)aaaa2)aaaa3,Dundee,4
-137,polyene,[CR0]=[CR0][CR0]=[CR0],Dundee,4
-138,quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[nX3+,NX3+](~[s,S,c,C,n,N])~[s,S,c,C,n,N]",Dundee,4
-139,quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[n+,N+](~[s,S,c,C,n,N,o,O])(~[s,S,c,C,n,N,o,O])~[s,S,c,C,n,N,o,O]",Dundee,4
-140,quaternary nitrogen,[*]=[N+]=[*],Dundee,4
-141,saponine derivative,O1CCCCC1OC2CCC3CCCCC3C2,Dundee,4
-142,silicon halogen,"[Si][F,Cl,Br,I]",Dundee,4
-143,stilbene,c1ccccc1C=Cc2ccccc2,Dundee,4
-144,sulfinic acid,"[SX3](=O)[O-,OH]",Dundee,4
-145,Sulfonic acid,"[C,c]S(=O)(=O)O[C,c]",Dundee,4
-146,Sulfonic acid,"S(=O)(=O)[O-,OH]",Dundee,4
-147,sulfonyl cyanide,S(=O)(=O)C#N,Dundee,4
-148,sulfur oxygen single bond,[SX2]O,Dundee,4
-149,sulphate,OS(=O)(=O)[O-],Dundee,4
-150,Sulphur-nitrogen single bond,[SX2H0][N],Dundee,4
-151,Thiobenzothiazole,c12ccccc1(SC(S)=N2),Dundee,4
-152,thiobenzothiazole,c12ccccc1(SC(=S)N2),Dundee,4
-153,Thiocarbonyl group,"[C,c]=S",Dundee,4
-154,thioester,SC=O,Dundee,4
-155,thiol,[S-],Dundee,4
-156,thiol,[SH],Dundee,4
-157,Three-membered heterocycle,"*1[O,S,N]*1",Dundee,4
-158,triflate,OS(=O)(=O)C(F)(F)F,Dundee,4
-159,triphenyl methylsilyl,"[SiR0,CR0](c1ccccc1)(c2ccccc2)(c3ccccc3)",Dundee,4
-160,triple bond,C#C,Dundee,4
-161,2halo_pyrazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7][#6][#6]1",BMS,7
-162,2halo_pyrazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6;!$(c-N)][#7][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)]1",BMS,7
-163,2halo_pyridazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#6][#7]1",BMS,7
-164,2halo_pyridazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7]1",BMS,7
-165,2halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)][#6][#6;!$(c-N)]1",BMS,7
-166,2halo_pyridine_5EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6][#6;!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c=O);!$(c-N)]1",BMS,7
-167,2halo_pyrimidine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#7][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7
-168,3halo_pyridazine_2EWG,"[#7;R1]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6][#7]1",BMS,7
-169,3halo_pyridazine_4EWG,"[#7;R1]1[#6][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#7]1",BMS,7
-170,4_pyridone_3_5_EWG,"[#7,#8,#16]1~[#6;H]~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6](=O)~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6;H]1",BMS,7
-171,4halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O);!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6;!$(c=O);!$(c-N)]1",BMS,7
-172,4halo_pyrimidine_2_6EWG,"[#7]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7;R1][#6]([F,Cl,Br,I])[#6][#6]1([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7
-173,4halo_pyrimidine_5EWG,"[#7]1[#6][#7;R1][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7
-174,CH2_S#O_3_ring,"[CH2]1[O,S]C1",BMS,7
-175,HOBT_ester,"O=C(-[!N])O[$(nnn),$([#7]-[#7]=[#7])]",BMS,7
-176,NO_phosphonate,P(=O)ON,BMS,7
-177,acrylate,[CH2]=[C;!$(C-N);!$(C-O)]C(=O),BMS,7
-178,activated_4mem_ring,"[#6]1~[$(C(=O)),$(S(=O))]~[O,S,N]~[$(C(=O)),$(S(=O))]1",BMS,7
-179,activated_S#O_3_ring,"C1~[O,S]~[C,N,O,S]1[a,N,O,S]",BMS,7
-180,activated_acetylene,"[$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))]C#[C;!$(C-N);!$(C-n)]",BMS,7
-181,activated_diazo,"[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])=[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7
-182,activated_vinyl_ester,"O=COC=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7
-183,activated_vinyl_sulfonate,"O(-S(=O)(=O))C=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7
-184,acyclic_imide,"[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]",BMS,7
-185,acyl_123_triazole,[#7;R1]1~[#7;R1]~[#7;R1](-C(=O))~[#6]~[#6]1,BMS,7
-186,acyl_134_triazole,[#7]1~[#7]~[#6]~[#7](-C(=O)[!N])~[#6]1,BMS,7
-187,acyl_activated_NO,"O=C(-[!N])O[$([#7;+]),$(N(C=[O,S,N])(C=[O,S,N]))]",BMS,7
-188,acyl_cyanide,C(=O)-C#N,BMS,7
-189,acyl_imidazole,"[C;!$(C-N)](=O)[#7]1[#6;H1,$([#6]([*;!R]))][#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7
-190,acyl_pyrazole,"[C;!$(C-N)](=O)[#7]1[#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7
-191,aldehyde,"[C,c][C;H1](=O)",BMS,7
-192,alpha_dicarbonyl,C(=O)!@C(=O),BMS,7
-193,alpha_halo_EWG,"[$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-])]-[CH,CH2]-[Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7
-194,alpha_halo_amine,"[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]",BMS,7
-195,alpha_halo_carbonyl,"C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7
-196,alpha_halo_heteroatom,"[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$(C(F)(F))][F,Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7
-197,alpha_halo_heteroatom_tert,"[N,n,O,S;!$(S(=O)(=O))]-C([Cl,Br,I,$(O(S(=O)(=O)))])(C)(C)",BMS,7
-198,anhydride,"[$(C(=O)),$(C(=S))]-[O,S]-[$(C(=O)),$(C(=S)),$(C(=[N;!R])),$(C(=N(-[C;X4])))]",BMS,7
-199,aryl_phosphonate,P(=O)-[O;!R]-a,BMS,7
-200,aryl_thiocarbonyl,a-[S;X2;!R]-[C;!R](=O),BMS,7
-201,azide,"[$(N#[N+]-[N-]),$([N-]=[N+]=N)]",BMS,7
-202,aziridine_diazirine,"[C,N]1~[C,N]~N~1",BMS,7
-203,azo_amino,[N]=[N;!R]-[N],BMS,7
-204,azo_aryl,c[N;!R;!+]=[N;!R;!+]-c,BMS,7
-205,azo_filter1,[N;!R]=[N;!R]-[N]=[*],BMS,7
-206,azo_filter2,[N;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!r3;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!$(N-S(=O)(=O));!$(N-C=O)],BMS,7
-207,azo_filter3,[N;!R]-[N;!R]-[N;!R],BMS,7
-208,azo_filter4,a-N=N-[N;H2],BMS,7
-209,bad_boron,"[B-,BH2,BH3,$(B(F)(F))]",BMS,7
-210,bad_cations,"[C+,F+,Cl+,Br+,I+,Se+]",BMS,7
-211,benzidine_like,c([N;!+])1ccc(c2ccc([N;!+])cc2)cc1,BMS,7
-212,beta_lactone,"[#6,#15,#16]1(=O)~[#6]~[#6]~[#8,#16]1",BMS,7
-213,betalactam,C1(=O)~[#6]~[#6]N1,BMS,7
-214,betalactam_EWG,"C1(=O)~[#6]~[#6]N1([$(S(=O)(=O)[C,c,O&D2]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)[C,c,O&D2])])",BMS,7
-215,bis_activated_aryl_ester,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7
-216,bis_keto_olefin,"CC(=O)[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]=[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]C(=O)C",BMS,7
-217,boron_warhead,"[C,c]~[#5]",BMS,7
-218,branched_polycyclic_aromatic,a1(a2aa(a3aaaaa3)aa(a4aaaaa4)a2)aaaaa1,BMS,7
-219,carbodiimide_iso#thio#cyanate,"N=C=[N,O,S]",BMS,7
-220,carbonyl_halide,"O=C[F,Cl,Br,I]",BMS,7
-221,contains_metal,"[$([Ru]),$([Rh]),$([#34]),$([Pd]),$([Sc]),$([Bi]),$([Sb]),$([Ag]),$([Ti]),$([Al]),$([Cd]),$([V]),$([In]),$([Cr]),$([Sn]),$([Mn]),$([La]),$([Fe]),$([Er]),$([Tm]),$([Yb]),$([Lu]),$([Hf]),$([Ta]),$([W]),$([Re]),$([Co]),$([Os]),$([Ni]),$([Ir]),$([Cu]),$([Zn]),$([Ga]),$([Ge]),$([#33]),$([Y]),$([Zr]),$([Nb]),$([Ce]),$([Pr]),$([Nd]),$([Sm]),$([Eu]),$([Gd]),$([Tb]),$([Dy]),$([Ho]),$([Pt]),$([Au]),$([Hg]),$([Tl]),$([Pb]),$([Ac]),$([Th]),$([Pa]),$([Mo]),$([U]),$([Tc]),$([Te]),$([Po]),$([At])]",BMS,7
-222,crown_ether,"[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]",BMS,7
-223,cyano_phosphonate,"P(O[A,a])(O[A,a])(=O)C#N",BMS,7
-224,cyanohydrin,"[C;X4](-[OH,NH1,NH2,SH])(-C#N)",BMS,7
-225,diamino_sulfide,"[N,n]~[S;!R;D2]~[N,n]",BMS,7
-226,diazo_carbonyl,"[$(N=N=C~C=O),$(N#N-C~C=O)]",BMS,7
-227,diazonium,a[N+]#N,BMS,7
-228,dicarbonyl_sulfonamide,"[$(N(-C(=O))(-C(=O))(-S(=O))),$(n([#6](=O))([#6](=O))([#16](=O)))]",BMS,7
-229,disulfide_acyclic,[S;!R;X2]-[S;!R;X2],BMS,7
-230,disulfonyliminoquinone,S(=O)(=O)N=C1C=CC(=NS(=O)(=O))C=C1,BMS,7
-231,double_trouble_warhead,NC(C[S;D1])C([N;H1]([O;D1]))=O,BMS,7
-232,flavanoid,O=C2CC(a3aaaaa3)Oa1aaaaa12,BMS,7
-233,four_nitriles,C#N.C#N.C#N.C#N,BMS,7
-234,gte_10_carbon_sb_chain,[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R],BMS,7
-235,gte_2_N_quats,"[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]",BMS,7
-236,gte_2_free_phos,P([O;D1])=O.P([O;D1])=O,BMS,7
-237,gte_2_sulfonic_acid,"[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]",BMS,7
-238,gte_3_COOH,C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1],BMS,7
-239,gte_3_iodine,[#53].[#53].[#53],BMS,7
-240,gte_4_basic_N,"[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)]",BMS,7
-241,gte_4_nitro,"[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)]",BMS,7
-242,gte_5_phenolic_OH,a[O;D1].a[O;D1].a[O;D1].a[O;D1].a[O;D1],BMS,7
-243,gte_7_aliphatic_OH,C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1],BMS,7
-244,gte_7_total_hal,"[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]",BMS,7
-245,gte_8_CF2_or_CH2,"[CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0]",BMS,7
-246,halo_5heterocycle_bis_EWG,"[#7,#8,#16]1[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#7][#6]1([Cl,Br,I])",BMS,7
-247,halo_acrylate,"[$([C;H2]),$([C&H1;$(C-F)]),$([C&H1;$(C-Cl)]),$([C&H1;$(C-Br)]),$([C&H1;$(CI)]),$(C(F)F),$(C(Cl)Cl),$(C(Br)Br),$(C(I)I),$(C(F)Cl),$(C(F)Br),$(C(F)I),$(C(Cl)Br),$(C(Br)I)](=[$([C&H1;$(C(-C(=O)))]),$(C(F)(C(=O))),$(C(Cl)(C(=O))),$(C(Br)(C(=O))),$(C(I)(C(=O))),$(C(C)(C(=O))),$(C(c)(C(=O)))])",BMS,7
-248,halo_imino,"C(=[#7])([Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7
-249,halo_olefin_bis_EWG,"C([Cl,Br,I,$(O(S(=O)(=O)))])=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7
-250,halo_phenolic_carbonyl,"C(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7
-251,halo_phenolic_sulfonyl,"S(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7
-252,halogen_heteroatom,"[!C;!c;!H][F,Cl,Br,I]",BMS,7
-253,hetero_silyl,[Si]~[!#6],BMS,7
-254,hydrazine,[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]-[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))],BMS,7
-255,hydrazothiourea,[N;!R]=NC(=S)N,BMS,7
-256,hydroxamate_warhead,C([N;H1]([O;D1]))=O,BMS,7
-257,hyperval_sulfur,"[$([#16&D3]),$([#16&D4])]=,:[#6]",BMS,7
-258,isonitrile,[N+]#[C-],BMS,7
-259,keto_def_heterocycle,"[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]",BMS,7
-260,linear_polycyclic_aromatic_I,"[$(a12aaaaa1aa3a(aa(aaaa4)a4a3)a2),$(a12aaaaa1aa3a(aaa4a3aaaa4)a2),$(a12aaaaa1a(aa5)a3a(aaa4a3a5aaa4)a2)]",BMS,7
-261,linear_polycyclic_aromatic_II,"[$(a12aaaa4a1a3a(aaaa3aa4)aa2),$(a12aaaaa1a3a(aaa4a3aaaa4)aa2),$(a1(a(aaaa4)a4a3a2aaaa3)a2aaaa1)]",BMS,7
-262,maleimide_etc,"[$([C;H1]),$(C(-[F,Cl,Br,I]))]1=[$([C;H1]),$(C(-[F,Cl,Br,I]))]C(=O)[N,O,S]C(=O)1",BMS,7
-263,meldrums_acid_deriv,O=C1OC(C)(C)OC(C1)=O,BMS,7
-264,monofluoroacetate,"[C;H2](F)C(=O)[O,N,S]",BMS,7
-265,nitrone,[C;!R]=[N+][O;D1],BMS,7
-266,nitrosamine,N-[N;X2](=O),BMS,7
-267,non_ring_CH2O_acetal,"[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]",BMS,7
-268,non_ring_acetal,"[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]",BMS,7
-269,non_ring_ketal,"[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)",BMS,7
-270,ortho_hydroiminoquinone,c1c([N;D1])c([N;D1])c[cH1][cH1]1,BMS,7
-271,ortho_hydroquinone,"a1c([O,S;D1])c([O,S;D1])a[cH1][cH1]1",BMS,7
-272,ortho_nitrophenyl_carbonyl,"[#6]1(-O-[C;!R](=[O,N;!R]))[#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6][#6][#6]1",BMS,7
-273,ortho_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=CC(=[O,N,S;!R])C(=[O,N,S])C=[CH1,$(C(-[Cl,Br,I]))]1",BMS,7
-274,oxaziridine,"C1~[O,S]~N1",BMS,7
-275,oxime,[$(C=N[O;D1]);!$(C=[N+])][#6][#6],BMS,7
-276,oxonium,"[o+,O+]",BMS,7
-277,para_hydroiminoquinone,a1[cH1]c([N;D1])[cH1]ac([N;D1])1,BMS,7
-278,para_hydroquinone,"a1[cH1]c([O,S;D1])[cH1]ac([O,S;D1])1",BMS,7
-279,para_nitrophenyl_ester,"[#6]1(-O(-[C;!R](-[!N])(=[O,N;!R])))[#6][#6][#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6]1",BMS,7
-280,para_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=[CH1,$(C(-[Cl,Br,I]))]C(=[O,N,S])[CH1,$(C(-[Cl,Br,I]))]=[CH1,$(C(-[Cl,Br,I]))]C1(=[O,N,S])",BMS,7
-281,paraquat_like,[#6]1[#6][#6]([#6]2[#6][#6][#7;+][#6][#6]2)[#6][#6][#7;+]1,BMS,7
-282,pentafluorophenylester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),BMS,7
-283,perchloro_cp,C1(Cl)(Cl)C(Cl)C(Cl)=C(Cl)C1(Cl),BMS,7
-284,perhalo_dicarbonyl_phenyl,"c1(C=O)c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1(C=O)",BMS,7
-285,perhalo_phenyl,"c1c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1([Br,Cl,I])",BMS,7
-286,peroxide,[#8]~[#8],BMS,7
-287,phenolate_bis_EWG,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7
-288,phos_serine_warhead,NC(COP(O)(O)=O)C(O)=O,BMS,7
-289,phos_threonine_warhead,NC(C(C)OP(O)(O)=O)C(O)=O,BMS,7
-290,phos_tyrosine_warhead,NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O,BMS,7
-291,phosphite,"[c,C]-[P;v3]",BMS,7
-292,phosphonium,[#15;+]~[!O],BMS,7
-293,phosphorane,C=P,BMS,7
-294,phosphorous_nitrogen_bond,"[#15]~[N,n]",BMS,7
-295,phosphorus_phosphorus_bond,P~P,BMS,7
-296,phosphorus_sulfur_bond,P~S,BMS,7
-297,polyene,C=[C;!R][C;!R]=[C;!R][C;!R]=[C;!R],BMS,7
-298,polyhalo_phenol_a,"c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1.c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1",BMS,7
-299,polyhalo_phenol_b,"c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1.c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1",BMS,7
-300,polyhalo_phenol_c,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7
-301,polyhalo_phenol_d,"c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1.c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1",BMS,7
-302,polyhalo_phenol_e,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7
-303,polysulfide,[S;D2]-[S;D2]-[S;D2],BMS,7
-304,porphyrin,"[#6;r16,r17,r18]~[#6]1~[#6]~[#6]~[#6](~[#6])~[#7]1",BMS,7
-305,primary_halide_sulfate,"[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7
-306,quat_N_N,"[N,n;R;+]!@[N,n]",BMS,7
-307,quat_N_acyl,"[N,n;+]!@C(=O)",BMS,7
-308,quinone_methide,"[#6;!$([#6](-[N,O,S]))]1=[#6;!$([#6](-[N,O,S]))][#6](=[#6])[#6;!$([#6](-[N,O,S]))]=[#6;!$([#6](-[N,O,S]))][#6]1(=[O,N,S])",BMS,7
-309,rhodanine,C(=C)1SC(=S)NC(=O)1,BMS,7
-310,secondary_halide_sulfate,"[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7
-311,sulf_D2_nitrogen,[S;D2](-[N;!$(N(=C));!$(N(-S(=O)(=O)));!$(N(-C(=O)))]),BMS,7
-312,sulf_D2_oxygen_D2,[S;D2][O;D2],BMS,7
-313,sulf_D3_nitrogen,"[S;D3](-N)(-[c,C])(-[c,C])",BMS,7
-314,sulfite_sulfate_ester,"[C,c]OS(=O)O[C,c]",BMS,7
-315,sulfonium,[S+;X3;$(S-C);!$(S-[O;D1])],BMS,7
-316,sulfonyl_anhydride,"[$(C(=O)),$(S(=O)(=O))][O,S](S(=O)(=O))",BMS,7
-317,sulfonyl_halide,"S(=O)(=O)[F,Cl,Br,I]",BMS,7
-318,sulfonyl_heteroatom,"[!#6;!#1;!#11;!#19]O(S(=O)(=O)(-[C,c]))",BMS,7
-319,sulphonyl_cyanide,S(=O)(=O)C#N,BMS,7
-320,tertiary_halide_sulfate,"[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])",BMS,7
-321,thio_hydroxamate,"[S;D2]([$(N(=C)),$(N(-S(=O)(=O))),$(N(-C(=O)))])",BMS,7
-322,thio_xanthate,[S;!R]-[C;!R](=[S;!R])(-[S;!R]),BMS,7
-323,thiocarbonate,"SC(=O)[O,S]",BMS,7
-324,thioester,"[S;!R;H0]C(=[S,O;!R])([!O;!S;!N])",BMS,7
-325,thiol_warhead,NC(C[S;D1])C(O)=O,BMS,7
-326,thiopyrylium,"c1[S,s;+]cccc1",BMS,7
-327,thiosulfoxide,"[C,c][S;X3](~O)-S",BMS,7
-328,triamide,"[$(N(-C(=O))(-C(=O))(-C(=O))),$(n([#6](=O))([#6](=O))([#6](=O)))]",BMS,7
-329,triaryl_phosphine_oxide,P(=O)(a)(a)(a),BMS,7
-330,trichloromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(Cl)(Cl)(Cl),BMS,7
-331,triflate,OS(=O)(=O)(C(F)(F)(F)),BMS,7
-332,trifluoroacetate_ester,C(F)(F)(F)C(=O)O,BMS,7
-333,trifluoroacetate_thioester,C(F)(F)(F)C(=O)S,BMS,7
-334,trifluoromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(F)(F)(F),BMS,7
-335,trihalovinyl_heteroatom,"C(-[Cl,Br,I])(-[Cl,Br,I])=C(-[Cl,Br,I])(-[N,O,S])",BMS,7
-336,trinitro_aromatic,"[$(a1aaa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])a1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1aa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1a([$(N(=O)(=O)),$([N+](=O)[O-])])aa([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])]))]",BMS,7
-337,trinitromethane_derivative,"C([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])",BMS,7
-338,tris_activated_aryl_ester,"[$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aaa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1)]",BMS,7
-339,trisub_bis_act_olefin,"[CH;!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7
-340,vinyl_carbonyl_EWG,"[C;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=[C;!R]([C;!R](=O))([!$([#8]);!$([#7])])",BMS,7
-341,ene_six_het_A(483),[#6]-1(-[#6](~[!#6&!#1]~[#6]-[!#6&!#1]-[#6]-1=[!#6&!#1])~[!#6&!#1])=[#6;!R],PAINS,6
-342,hzone_phenol_A(479),c:1:c:c(:c(:c:c:1)-[#6]=[#7]-[#7])-[O;H1],PAINS,6
-343,anil_di_alk_A(478),"[C;H2]N([C;H2])c1cc([$([H]),$([C;H2]),$([O][C;H2][C;H2])])c(N)c([H])c1",PAINS,6
-344,indol_3yl_alk(461),"n:1(c(c(c:2:c:1:c:c:c:c:2-[H])-[C;D4]-[H])-[$([C;H2]),$([C]=,:[!C]),$([C;H1][N]),$([C;H1]([C;H2])[N;H1][C;H2]),$([C;H1]([C;H2])[C;H2][N;H1][C;H2])])-[$([H]),$([C;H2])]",PAINS,6
-345,quinone_A(370),"[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1",PAINS,6
-346,azo_A(324),[#7;!R]=[#7],PAINS,6
-347,imine_one_A(321),"[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]",PAINS,6
-348,mannich_A(296),[#7]-[C;X4]-c1ccccc1-[O;H1],PAINS,6
-349,anil_di_alk_B(251),c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6]=[#6],PAINS,6
-350,anil_di_alk_C(246),"c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7](-[#6;X4])-[$([#1]),$([#6;X4])]",PAINS,6
-351,ene_rhod_A(235),[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8],PAINS,6
-352,hzone_phenol_B(215),c:1(:c:c:c(:c:c:1)-[#6]=[#7]-[#7])-[#8]-[#1],PAINS,6
-353,ene_five_hetA1(201A),"[#6]-1(=[#6])-[#6]=[#7]-[#7,#8,#16]-[#6]-1=[#8]",PAINS,6
-354,ene_five_het_A(201),[#6]-1(=[#6])-[#6]=[#7]-[!#6&!#1]-[#6]-1=[#8],PAINS,6
-355,anil_di_alk_D(198),"c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6;X4]-[$([#8]-[#1]),$([#6]=[#6]-[#1]),$([#7]-[#6;X4])]",PAINS,6
-356,imine_one_isatin(189),[#8]=[#6]-2-[#6](=!@[#7]-[#7])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6
-357,anil_di_alk_E(186),"[#6](-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])-[$([#1]),$([#6]-[#1])])-[#1])-[#1]",PAINS,6
-358,thiaz_ene_A(128),"[#6]-1(=[#6](-[$([#1]),$([#6](-[#1])-[#1]),$([#6]=[#8])])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6]-[#1]),$([#6]:[#6])])=[#7;!R])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
-359,pyrrole_A(118),n2(-[#6]:1:[!#1]:[#6]:[#6]:[#6]:[#6]:1)c(cc(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6
-360,catechol_A(92),c:1:c:c(:c(:c:c:1)-[#8;H1])-[#8;H1],PAINS,6
-361,ene_five_het_B(90),[#6]-1(=[#6])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6
-362,imine_one_fives(89),[#6]-1=[!#1]-[!#6&!#1]-[#6](-[#6]-1=[!#6&!#1;!R])=[#8],PAINS,6
-363,ene_five_het_C(85),[#6]-1(-[#6](-[#6]=[#6]-[!#6&!#1]-1)=[#6])=[!#6&!#1],PAINS,6
-364,hzone_pipzn(79),"CN1[C;H2][C;H2]N(N=[C;H1][#6]=,:[#6])[C;H2][C;H2]1",PAINS,6
-365,keto_keto_beta_A(68),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6
-366,hzone_pyrrol(64),Cn1cccc1C=NN,PAINS,6
-367,ene_one_ene_A(57),[#6]=!@[#6](-[!#1])-@[#6](=!@[!#6&!#1])-@[#6](=!@[#6])-[!#1],PAINS,6
-368,cyano_ene_amine_A(56),N#CC=C(N)C(C#N)C#N,PAINS,6
-369,ene_five_one_A(55),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6])-[#6]-2=[#8],PAINS,6
-370,cyano_pyridone_A(54),N#Cc1ccc[#7;H1]c1=S,PAINS,6
-371,anil_alk_ene(51),c:1:c:c-2:c(:c:c:1)-[#6]-3-[#6](-[#6]-[#7]-2)-[#6]-[#6]=[#6]-3,PAINS,6
-372,amino_acridine_A(46),c:1:c:2:c(:c:c:c:1):n:c:3:c(:c:2-[#7]):c:c:c:c:3,PAINS,6
-373,ene_five_het_D(46),[#6]-1(=[#6])-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6
-374,thiophene_amino_Aa(45),[H]N([H])c1sc([!#1])c([!#1])c1C=O,PAINS,6
-375,ene_five_het_E(44),[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2,PAINS,6
-376,sulfonamide_A(43),"NS(=O)(=O)c1cc([F,Cl,Br,I])cc([F,Cl,Br,I])c1O",PAINS,6
-377,thio_ketone(43),[#6]-[#6](=[#16])-[#6],PAINS,6
-378,sulfonamide_B(41),[H]N(c1ccc([O;H1])cc1)S(=O)=O,PAINS,6
-379,anil_no_alk(40),"c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[$([#8]),$([#7]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#7](-[#1])-[#1]",PAINS,6
-380,thiophene_amino_Ab(40),"[$([#1]),$([#6](-[#1])-[#1]),$([#6]:[#6])]-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8])-[$([#6]:1:[#6]:[#6]:[#6]:[#6]:[#6]:1),$([#6]:1:[#16]:[#6]:[#6]:[#6]:1)]",PAINS,6
-381,het_pyridiniums_A(39),"[H]c1c([$([N]),$([H])])ccc2ccc[n+]([$([O;X1]),$([C;H3]),$([#6][#6]:[#6]),$([#6][#6][#8]),$([#6][#6](C)=[#8]),$([#6][#6](N)=[#8]),$([#6][#6][#6])])c12",PAINS,6
-382,anthranil_one_A(38),CC(=O)c1ccccc1[#7;H1][!$([#6]=[#8])],PAINS,6
-383,cyano_imine_A(37),[#7;H1][#7]=[#6](-[#6]#[#7])-[#6]=[!#6&!#1;!R],PAINS,6
-384,diazox_sulfon_A(36),"[#7](-c:1:c:c:c:c:c:1)-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[#6]:[#6]:[#6]:3:[#7]:[$([#8]),$([#16])]:[#7]:[#6]:2:3",PAINS,6
-385,hzone_anil_di_alk(35),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]-[$([#6](=[#8])-[#6](-[#1])(-[#1])-[#16]-[#6]:[#7]),$([#6](=[#8])-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[#7]),$([#6](=[#8])-[#6]:[#6]-[#8]-[#1]),$([#6]:[#7]),$([#6](-[#1])(-[#1])-[#6](-[#1])-[#8]-[#1])])-[#1])-[#1]",PAINS,6
-386,rhod_sat_A(33),[#7]-1-[#6](=[#16])-[#16]-[#6;X4]-[#6]-1=[#8],PAINS,6
-387,hzone_enamin(30),"[#7][#7]=[#6][#6](-[$([#1]),$([#6])])=[#6]([#6])-!@[$([#7]),$([#8])]",PAINS,6
-388,pyrrole_B(29),[#6;X4]c1ccc([#6]:[#6])n1c2ccccc2,PAINS,6
-389,thiophene_hydroxy(28),s1ccc(c1)-[#8;H1],PAINS,6
-390,cyano_pyridone_B(27),"[!#6][#6]1=,:[#7][#6]([#6])=,:[#6](C#N)[#6](=O)[#7]1",PAINS,6
-391,imine_one_sixes(27),[#6]-1(-[#6](=[#8])-[#7]-[#6](=[#8])-[#7]-[#6]-1=[#8])=[#7],PAINS,6
-392,dyes5A(27),"[#6]=,:[#6]:[#7]([#6])~[#6]:[#6]=,:[#6][#6]~[#6]:[#7]",PAINS,6
-393,naphth_amino_A(25),"c1cc2cccc3[#7][#6]=,:[#7]c(c1)c23",PAINS,6
-394,naphth_amino_B(25),[C;X4]1[N;H1]c3cccc2cccc([N;H1]1)c23,PAINS,6
-395,ene_one_ester(24),[#6]-[#8]-[#6](=[#8])-[#6](-[#7][#6])=[#6]-[#6](-[#6])=[#8],PAINS,6
-396,thio_dibenzo(23),"S=[#6]1[#6]=,:[#6][!#6,!#6][#6]=,:[#6]1",PAINS,6
-397,cyano_cyano_A(23),"[#6](-[#6]#[#7])(-[#6]#[#7])-[#6](-[$([#6]#[#7]),$([#6]=[#7])])-[#6]#[#7]",PAINS,6
-398,hzone_acyl_naphthol(22),[H]c2c([H])c([H])c1c([H])c(C(=O)NN=C)c(O)c([H])c1c2[H],PAINS,6
-399,het_65_A(21),O=Cc1cnn2c([#8;H1])ccnc12,PAINS,6
-400,imidazole_A(19),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#1])-[#6]:[!#1],PAINS,6
-401,ene_cyano_A(19),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6]-c:1:c:c:c:c:c:1,PAINS,6
-402,anthranil_acid_A(19),C=NNc1ccccc1C(=O)[#8;H1],PAINS,6
-403,dyes3A(19),"[#6]-,:[#6]:[#7+]=,:[#6][#6]=[#6][#7][#6;X4]",PAINS,6
-404,dhp_bis_amino_CN(19),"[#6]=,:[#6]C1C(C#N)=C(N)SC(N)=C1C#N",PAINS,6
-405,het_6_tetrazine(18),"[#7]~[#6]:1:[#7]:[#7]:[#6](:[$([#7]),$([#6]-[#1]),$([#6]-[#7]-[#1])]:[$([#7]),$([#6]-[#7])]:1)-[$([#7]-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6
-406,ene_one_hal(17),"[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]",PAINS,6
-407,cyano_imine_B(17),N#CC(C#N)=NNc1ccccc1,PAINS,6
-408,thiaz_ene_B(17),"[#6]NC(=O)-!@[#6]1=,:[#6]([$([N]),$(NC(=O)[#6]:[#6])])[#7]([$([#6;H2]-[#6;H1]=[#6;H2]),$([#6]=,:[#6])])[#6](=S)[#16]1",PAINS,6
-409,ene_rhod_B(16),"[H]C([$([#6]-[#35]),$([#6]:[#6](-[#1]):[#6](-[F,Cl,Br,I]):[#6]:[#6]-[F,Cl,Br,I]),$([#6]:[#6](-[#1]):[#6](-[#1]):[#6]-[#16]-[#6](-[#1])-[#1]),$([#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-[#8]-[#6;H2]),$([#6]:1:[#6](-[#6;H2]):[#7](-[#6;H2]):[#6](-[#6;H2]):[#6]:1)])=C1SC(=O)[N]C1=O",PAINS,6
-410,thio_carbonate_A(15),"[#7,#8]c2ccc1oc(=[#8,#16])sc1c2",PAINS,6
-411,anil_di_alk_furan_A(15),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-c:1:c(:c(:c(:o:1)-[#6]=[#7]-[#7](-[#1])-[#6]=[!#6&!#1])-[#1])-[#1],PAINS,6
-412,ene_five_het_F(15),O=[#6]2[#6](=!@[#6]c1ccccc1)Sc3ccccc23,PAINS,6
-413,anil_di_alk_F(14),"c:1:c:c(:c:c:c:1-[#6;X4]-c:2:c:c:c(:c:c:2)-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])])-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])]",PAINS,6
-414,hzone_anil(14),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#6]=[#7]-[#7]-[#1],PAINS,6
-415,het_5_pyrazole_OH(14),"c1(nn(c(c1-[$([#1]),$([#6]-[#1])])-[#8]-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6;X4]",PAINS,6
-416,het_thio_666_A(13),"c:2(:c:1-[#16]-c:3:c(-[#7](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])-[$([#1]),$([#6](-[#1])(-[#1])-[#1]),$([#6](-[#1])(-[#1])-[#6]-[#1])]):c(:c(~[$([#1]),$([#6]:[#6])]):c(:c:3-[#1])-[$([#1]),$([#7](-[#1])-[#1]),$([#8]-[#6;X4])])~[$([#1]),$([#7](-[#1])-[#6;X4]),$([#6]:[#6])])-[#1]",PAINS,6
-417,styrene_A(13),[#6]-2-[#6]-c:1:c(:c:c:c:c:1)-[#6](-c:3:c:c:c:c:c-2:3)=[#6]-[#6],PAINS,6
-418,ene_rhod_C(13),"[#16]-1-[#6](=[#7]-[#6]:[#6])-[#7](-[$([#1]),$([#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]),$([#6]:[#6])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[$([#6]:[#6]:[#6]-[#17]),$([#6]:[!#6&!#1])]",PAINS,6
-419,dhp_amino_CN_A(13),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]=[#6])-[#8]-1)-[#6](-[#1])-[#1],PAINS,6
-420,cyano_imine_C(12),[#8]=[#16](=[#8])-[#6](-[#6]#[#7])=[#7]-[#7]-[#1],PAINS,6
-421,thio_urea_A(12),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2,PAINS,6
-422,thiophene_amino_B(12),"c:1:c(:c:c:c:c:1)-[#7](-[#1])-c:2:c(:c(:c(:s:2)-[$([#6]=[#8]),$([#6]#[#7]),$([#6](-[#8]-[#1])=[#6])])-[#7])-[$([#6]#[#7]),$([#6](:[#7]):[#7])]",PAINS,6
-423,keto_keto_beta_B(12),[#6;X4]-1-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6
-424,keto_phenone_A(11),c:1:c-3:c(:c:c:c:1)-[#6]:2:[#7]:[!#1]:[#6]:[#6]:[#6]:2-[#6]-3=[#8],PAINS,6
-425,cyano_pyridone_C(11),[#6]-1(-[#6](=[#6](-[#6]#[#7])-[#6](~[#8])~[#7]~[#6]-1~[#8])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6]:[#6],PAINS,6
-426,thiaz_ene_C(11),"[#6]-1(=[#6](-!@[#6]=[#7])-[#16]-[#6](-[#7]-1)=[#8])-[$([F,Cl,Br,I]),$([#7+](:[#6]):[#6])]",PAINS,6
-427,hzone_thiophene_A(11),"c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):[!#6&!#1]:[#6](:[#6]:2-[#6](-[#1])=[#7]-[#7](-[#1])-[$([#6]:1:[#7]:[#6]:[#6](-[#1]):[#16]:1),$([#6]:[#6](-[#1]):[#6]-[#1]),$([#6]:[#7]:[#6]:[#7]:[#6]:[#7]),$([#6]:[#7]:[#7]:[#7]:[#7])])-[$([#1]),$([#8]-[#1]),$([#6](-[#1])-[#1])]",PAINS,6
-428,ene_quin_methide(10),"[!#1]:[!#1]-[#6](-[$([#1]),$([#6]#[#7])])=[#6]-1-[#6]=:[#6]-[#6](=[$([#8]),$([#7;!R])])-[#6]=:[#6]-1",PAINS,6
-429,het_thio_676_A(10),"c:1:c:c-2:c(:c:c:1)-[#6]-[#6](-c:3:c(-[#16]-2):c(:c(-[#1]):c(:c:3-[#1])-[$([#1]),$([#8]),$([#16;X2]),$([#6;X4]),$([#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])])])-[#1])-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])]",PAINS,6
-430,ene_five_het_G(10),"[#6]-1(=[#6])-[#6](-[#7,#16,#8][#6](-[!#1])=[#7]-1)=[#8]",PAINS,6
-431,acyl_het_A(9),[#7+](:[!#1]:[!#1]:[!#1])-[!#1]=[#8],PAINS,6
-432,anil_di_alk_G(9),[#6;X4]-[#7](-[#6;X4])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6]2=:[#7][#6]:[#6]:[!#1]2)-[#1])-[#1],PAINS,6
-433,dhp_keto_A(9),"[#7]-1(-[$([#6;X4]),$([#1])])-[#6]=:[#6](-[#6](=[#8])-[#6]:[#6]:[#6])-[#6](-[#6])-[#6](=[#6]-1-[#6](-[#1])(-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6
-434,thio_urea_B(9),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2,PAINS,6
-435,anil_alk_bim(9),c:1:3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1]):n:c(-[#1]):n:3-[#6],PAINS,6
-436,imine_imine_A(9),c:1:c:c-2:c(:c:c:1)-[#7]=[#6]-[#6]-2=[#7;!R],PAINS,6
-437,thio_urea_C(9),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](=[#8])-[#6]-2:[!#1]:[!#6&!#1]:[#6]:[#6]-2,PAINS,6
-438,imine_one_fives_B(9),[#7;!R]=[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[#16]-2,PAINS,6
-439,dhp_amino_CN_B(9),"[$([#7](-[#1])-[#1]),$([#8]-[#1])]-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-c:1:c(:n(-[#6]):n:c:1)-[#8]-2",PAINS,6
-440,anil_OC_no_alk_A(8),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:n:c:1-[#1])-[#8]-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6
-441,het_thio_66_one(8),[#6](=[#8])-[#6]-1=[#6]-[#7]-c:2:c(-[#16]-1):c:c:c:c:2,PAINS,6
-442,styrene_B(8),"c:1:c:c-2:c(:c:c:1)-[#6](-c:3:c(-[$([#16;X2]),$([#6;X4])]-2):c:c:c(:c:3)-[$([#1]),$([#17]),$([#6;X4])])=[#6]-[#6]",PAINS,6
-443,het_thio_5_A(8),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:c(:c(:n:1-!@[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)-[#1],PAINS,6
-444,anil_di_alk_ene_A(8),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6](-[#1])-c:1:c(:c:c:c:c:1)-[#16;X2]-c:3:c-2:c:c:c:c:3,PAINS,6
-445,ene_rhod_D(8),"[#16]-1-[#6](=!@[#7]-[$([#1]),$([#7](-[#1])-[#6]:[#6])])-[#7](-[$([#1]),$([#6]:[#7]:[#6]:[#6]:[#16])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[#6]:[#6]-[$([#17]),$([#8]-[#6]-[#1])]",PAINS,6
-446,ene_rhod_E(8),[#16]-1-[#6](=[#8])-[#7]-[#6](=[#16])-[#6]-1=[#6](-[#1])-[#6]:[#6],PAINS,6
-447,anil_OH_alk_A(8),c:1:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1])-[#1],PAINS,6
-448,pyrrole_C(8),n1(-[#6;X4])c(c(-[#1])c(c1-[#6]:[#6])-[#1])-[#6](-[#1])-[#1],PAINS,6
-449,thio_urea_D(8),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2,PAINS,6
-450,thiaz_ene_D(8),[#7](-c:1:c:c:c:c:c:1)-c2[n+]c(cs2)-c:3:c:c:c:c:c:3,PAINS,6
-451,ene_rhod_F(8),n:1:c:c:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-2-[#6](=[#8])-[#7]-[#6](=[!#6&!#1])-[#7]-2,PAINS,6
-452,thiaz_ene_E(8),"[#6]-1(=[#6](-[#6](-[#1])(-[#6])-[#6])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6](-[#1])-[#1])])=[#8])-[#16]-[#6;R]",PAINS,6
-453,het_65_B(7),[!#1]:1:[!#1]-2:[!#1](:[!#1]:[!#1]:[!#1]:1)-[#7](-[#1])-[#7](-[#6]-2=[#8])-[#6],PAINS,6
-454,keto_keto_beta_C(7),c:1:c:c-2:c(:c:c:1)-[#6](=[#6](-[#6]-2=[#8])-[#6])-[#8]-[#1],PAINS,6
-455,het_66_A(7),c:2:c:c:1:n:n:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6]=[#8],PAINS,6
-456,thio_urea_E(7),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:c:c:2,PAINS,6
-457,thiophene_amino_C(7),"[#6](-[#1])-[#6](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6]-[#6]-[#6]=[#8])-[$([#6](=[#8])-[#8]),$([#6]#[#7])])-[#6](-[#1])-[#1]",PAINS,6
-458,hzone_phenone(7),"[#6](-c:1:c(:c(:c(:c:c:1-[#1])-[$([#6;X4]),$([#1])])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[$([#1]),$([#17])])-[#1])-[#1])=[$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#7](-[#1])-[#6](=[#7]-[#1])-[#7](-[#1])-[#1]),$([#6](-[#1])-[#7])]",PAINS,6
-459,ene_rhod_G(7),[#8](-[#1])-[#6](=[#8])-c:1:c:c(:c:c:c:1)-[#6]:[!#1]:[#6]-[#6](-[#1])=[#6]-2-[#6](=[!#6&!#1])-[#7]-[#6](=[!#6&!#1])-[!#6&!#1]-2,PAINS,6
-460,ene_cyano_B(7),[#6]-1(=[#6]-[#6](-c:2:c:c(:c(:n:c-1:2)-[#7](-[#1])-[#1])-[#6]#[#7])=[#6])-[#6]#[#7],PAINS,6
-461,dhp_amino_CN_C(7),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]:[#6])-[#8]-1)-[#6]#[#7],PAINS,6
-462,het_5_A(7),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6]=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6
-463,ene_five_het_H(6),[#7]-1=[#6]-[#6](-[#6](-[#7]-1)=[#16])=[#6],PAINS,6
-464,thio_amide_A(6),c1(coc(c1-[#1])-[#6](=[#16])-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[!#1]-[#6](-[#1])(-[#1])-[#6]-2(-[#1])-[#1])-[#1],PAINS,6
-465,ene_cyano_C(6),[#6]=[#6](-[#6]#[#7])-[#6](=[#7]-[#1])-[#7]-[#7],PAINS,6
-466,hzone_furan_A(6),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6
-467,anil_di_alk_H(6),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[!#1]:[#6]:[#6]:[#6]:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-468,het_65_C(6),"n2c1ccccn1c(c2-[$([#6](-[!#1])=[#6](-[#1])-[#6]:[#6]),$([#6]:[#8]:[#6])])-[#7]-[#6]:[#6]",PAINS,6
-469,thio_urea_F(6),[#6]-1-[#7](-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#7]-1-[#1],PAINS,6
-470,ene_five_het_I(6),c:1(:c:c:c:o:1)-[#6](-[#1])=!@[#6]-3-[#6](=[#8])-c:2:c:c:c:c:c:2-[!#6&!#1]-3,PAINS,6
-471,keto_keto_gamma(5),[#8]=[#6]-1-[#6;X4]-[#6]-[#6](=[#8])-c:2:c:c:c:c:c-1:2,PAINS,6
-472,quinone_B(5),c:1:c:c-2:c(:c:c:1)-[#6](-c3cccc4noc-2c34)=[#8],PAINS,6
-473,het_6_pyridone_OH(5),[#8](-[#1])-c:1:n:c(:c:c:c:1)-[#8]-[#1],PAINS,6
-474,hzone_naphth_A(5),"c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6]=[#7]-[#7](-[#1])-[$([#6]:[#6]),$([#6]=[#16])])-[#1])-[#1])-[#1])-[#1])-[#1]",PAINS,6
-475,thio_ester_A(5),[#6]-1=[#6](-[#16]-[#6](-[#6]=[#6]-1)=[#16])-[#7],PAINS,6
-476,ene_misc_A(5),[#6]-1=[#6]-[#6](-[#8]-[#6]-1-[#8])(-[#8])-[#6],PAINS,6
-477,cyano_pyridone_D(5),[#8]=[#6]-1-[#6](=[#6]-[#6](=[#7]-[#7]-1)-[#6]=[#8])-[#6]#[#7],PAINS,6
-478,het_65_Db(5),C3=CN1C(=NC(=C1-[#7]-[#6])-c:2:c:c:c:c:n:2)C=C3,PAINS,6
-479,het_666_A(5),[#7]N-2-c:1:c:c:c:c:c:1-[#6](=[#7])-c:3:c-2:c:c:c:c:3,PAINS,6
-480,diazox_sulfon_B(5),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](-[#1])-[#6](-[#1])-[#7](-[#6](-[#1])-[#6]-2-[#1])-[#16](=[#8])(=[#8])-c:3:c:c:c:c:4:n:s:n:c:3:4,PAINS,6
-481,anil_NH_alk_A(5),c:1(:c(:c-2:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#7]-2-[#1])=[#8])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
-482,sulfonamide_C(5),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c(:c:c:2)-[!#6&!#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6
-483,het_thio_N_55(5),[#6](-[#1])-[#6]:2:[#7]:[#7](-c:1:c:c:c:c:c:1):[#16]:3:[!#6&!#1]:[!#1]:[#6]:[#6]:2:3,PAINS,6
-484,keto_keto_beta_D(5),[#8]=[#6]-[#6]=[#6](-[#1])-[#8]-[#1],PAINS,6
-485,ene_rhod_H(5),[#7]-1-2-[#6](=[#7]-[#6](=[#8])-[#6](=[#7]-1)-[#6](-[#1])-[#1])-[#16]-[#6](=[#6](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6
-486,imine_ene_A(5),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7](-[#6;X4])-[#6;X4],PAINS,6
-487,het_thio_656a(5),c:1:3:c(:c:c:c:c:1):c:2:n:n:c(-[#16]-[#6](-[#1])(-[#1])-[#6]=[#8]):n:c:2:n:3-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1],PAINS,6
-488,pyrrole_D(5),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#1])-[#1])-[#1],PAINS,6
-489,pyrrole_E(5),n2(-[#6]:1:[!#1]:[!#6&!#1]:[!#1]:[#6]:1-[#1])c(c(-[#1])c(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6
-490,thio_urea_G(5),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6]([#7;R])[#7;R],PAINS,6
-491,anisol_A(5),"c:1(:c(:c(:c(:c(:c:1-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[$([#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]),$([#6](-[#1])(-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#1])])-[#1])-[#8]-[#6](-[#1])-[#1]",PAINS,6
-492,pyrrole_F(5),n2(-[#6]:1:[#6](-[#6]#[#7]):[#6]:[#6]:[!#6&!#1]:1)c(c(-[#1])c(c2)-[#1])-[#1],PAINS,6
-493,dhp_amino_CN_D(5),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-c:1:c(:c:c:s:1)-[#8]-2,PAINS,6
-494,thiazole_amine_A(4),[#7](-[#1])-c:1:n:c(:c:s:1)-c:2:c:n:c(-[#7](-[#1])-[#1]):s:2,PAINS,6
-495,het_6_imidate_A(4),[#7]=[#6]-1-[#7](-[#1])-[#6](=[#6](-[#7]-[#1])-[#7]=[#7]-1)-[#7]-[#1],PAINS,6
-496,anil_OC_no_alk_B(4),c:1:c(:c:2:c(:c:c:1):c:c:c:c:2)-[#8]-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#7]-[#1])-[#1])-[#1],PAINS,6
-497,styrene_C(4),c:1:c:c-2:c(:c:c:1)-[#6]-[#16]-c3c(-[#6]-2=[#6])ccs3,PAINS,6
-498,azulene(4),c:2:c:c:c:1:c(:c:c:c:1):c:c:2,PAINS,6
-499,furan_acid_A(4),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
-500,cyano_pyridone_E(4),[!#1]:[#6]-[#6]-1=[#6](-[#1])-[#6](=[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1-[#1])-[#6]:[#8],PAINS,6
-501,anil_alk_thio(4),[#6]-1-3=[#6](-[#6](-[#7]-c:2:c:c:c:c:c-1:2)(-[#6])-[#6])-[#16]-[#16]-[#6]-3=[!#1],PAINS,6
-502,anil_di_alk_I(4),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-503,het_thio_6_furan(4),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:n:c(:c(:n:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-c:3:c(:c(:c(:o:3)-[#1])-[#1])-[#1],PAINS,6
-504,anil_di_alk_ene_B(4),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6]-c:1:c(:c:c:c:c:1)-[#6]-2(-[#1])-[#1],PAINS,6
-505,imine_one_B(4),"[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#7](-[#1])-[$([#7]-[#1]),$([#6]:[#6])]",PAINS,6
-506,anil_OC_alk_A(4),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):o:c:3:c(-[#1]):c(:c(-[#8]-[#6](-[#1])-[#1]):c(:c:2:3)-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
-507,ene_five_het_J(4),[#16]=[#6]-1-[#7](-[#1])-[#6]=[#6]-[#6]-2=[#6]-1-[#6](=[#8])-[#8]-[#6]-2=[#6]-[#1],PAINS,6
-508,pyrrole_G(4),"n2(-c:1:c(:c:c(:c(:c:1)-[#1])-[$([#7](-[#1])-[#1]),$([#6]:[#7])])-[#1])c(c(-[#1])c(c2-[#1])-[#1])-[#1]",PAINS,6
-509,ene_five_het_K(4),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6]-2-[#6](=[#8])-[!#6&!#1]-[#6]=:[!#1]-2)-[#1])-[#1],PAINS,6
-510,cyano_ene_amine_B(4),[#6]=[#6]-[#6](-[#6]#[#7])(-[#6]#[#7])-[#6](-[#6]#[#7])=[#6]-[#7](-[#1])-[#1],PAINS,6
-511,thio_ester_B(4),"[#6]:[#6]-[#6](=[#16;X1])-[#16;X2]-[#6](-[#1])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
-512,ene_five_het_L(4),[#8]=[#6]-3-[#6](=!@[#6](-[#1])-c:1:c:n:c:c:1)-c:2:c:c:c:c:c:2-[#7]-3,PAINS,6
-513,hzone_thiophene_B(4),"c:1(:c(:c(:c(:s:1)-[#1])-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])=[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2",PAINS,6
-514,dhp_amino_CN_E(4),[#6](-[#1])(-[#1])-[#16;X2]-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1,PAINS,6
-515,het_5_B(4),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#7](-[#1])-[#6]=[#8])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
-516,imine_imine_B(3),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7]=[#6],PAINS,6
-517,thiazole_amine_B(3),c:1(:c:c:c(:c:c:1)-[#6](-[#1])-[#1])-c:2:c(:s:c(:n:2)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1],PAINS,6
-518,imine_ene_one_A(3),[#6]-2(-[#6]=[#7]-c:1:c:c:c:c:c:1-[#7]-2)=[#6](-[#1])-[#6]=[#8],PAINS,6
-519,diazox_A(3),[#8](-c:1:c:c:c:c:c:1)-c:3:c:c:2:n:o:n:c:2:c:c:3,PAINS,6
-520,ene_one_A(3),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7]-c:2:c:c:c:3:c(:c:2):c:c:c(:n:3)-[#7](-[#6])-[#6])=[#8],PAINS,6
-521,anil_OC_no_alk_C(3),[#7](-[#1])(-[#1])-c:1:c(:c:c:c:n:1)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
-522,thiazol_SC_A(3),[#6]-[#16;X2]-c:1:n:c(:c:s:1)-[#1],PAINS,6
-523,het_666_B(3),c:1:c-3:c(:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2-[#8]-3)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6
-524,furan_A(3),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6]#[#6]-[#6;X4],PAINS,6
-525,colchicine_A(3),[#6]-1(-[#6](=[#6]-[#6]=[#6]-[#6]=[#6]-1)-[#7]-[#1])=[#7]-[#6],PAINS,6
-526,thiophene_C(3),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-[#6](=[#8])-c:1:c(-[#16;X2]):s:c(:c:1)-[$([#6]#[#7]),$([#6]=[#8])]",PAINS,6
-527,anil_OC_alk_B(3),"c:1:3:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[F,Cl,Br,I])-[#6]-2=[#8])-[#7](-[#1])-[#6]:[#6]:[#6]:[#6](-[#8]-[#6](-[#1])-[#1]):[#6]:[#6]:3",PAINS,6
-528,het_thio_66_A(3),c:1-2:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]=[#6]-2-[#16;X2]-[#6](-[#1])(-[#1])-[#6](=[#8])-c:3:c:c:c:c:c:3,PAINS,6
-529,rhod_sat_B(3),[#7]-2(-c:1:c:c:c:c:c:1-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[!#1]:[!#1]:[!#1])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
-530,ene_rhod_I(3),[#7]-2(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](=[#6](-[#1])-c:1:c:c:c:c(:c:1)-[Br])-[#6]-2=[#8],PAINS,6
-531,keto_thiophene(3),c:1(:c(:c:2:c(:s:1):c:c:c:c:2)-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6
-532,imine_imine_C(3),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])=[#7]-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#6](-[#1])-[#1])-[#6]:[#6],PAINS,6
-533,het_65_pyridone_A(3),"[#6]:2(:[#6](-[#6](-[#1])-[#1]):[#6]-1:[#6](-[#7]=[#6](-[#7](-[#6]-1=[!#6&!#1;X1])-[#6](-[#1])-[$([#6](=[#8])-[#8]),$([#6]:[#6])])-[$([#1]),$([#16]-[#6](-[#1])-[#1])]):[!#6&!#1;X2]:2)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]",PAINS,6
-534,thiazole_amine_C(3),"c:1(:n:c(:c(-[#1]):s:1)-[!#1]:[!#1]:[!#1](-[$([#8]-[#6](-[#1])-[#1]),$([#6](-[#1])-[#1])]):[!#1]:[!#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(-[#1]):c(:c(-[#1]):o:2)-[#1]",PAINS,6
-535,het_thio_pyr_A(3),n:1:c(:c(:c(:c(:c:1-[#16]-[#6]-[#1])-[#6]#[#7])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]:[#6],PAINS,6
-536,melamine_A(3),"c:1:4:c(:n:c(:n:c:1-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#7](-[#1])-c:3:c:c(:c(:c:c:3-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])]):c:c:c:c:4",PAINS,6
-537,anil_NH_alk_B(3),[#7](-[#1])(-[#6]:1:[#6]:[#6]:[!#1]:[#6]:[#6]:1)-c:2:c:c:c(:c:c:2)-[#7](-[#1])-[#6]-[#1],PAINS,6
-538,rhod_sat_C(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#7]-[#6]=[#8])-[#16]-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
-539,thiophene_amino_D(3),[#6]=[#6]-[#6](=[#8])-[#7]-c:1:c(:c(:c(:s:1)-[#6](=[#8])-[#8])-[#6]-[#1])-[#6]#[#7],PAINS,6
-540,anil_OC_alk_C(3),"[$([#1]),$([#6](-[#1])-[#1])]-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:n:2",PAINS,6
-541,het_thio_65_A(3),[#6](-[#1])(-[#1])-[#16;X2]-c3nc1c(n(nc1-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)nn3,PAINS,6
-542,het_thio_656b(3),[#6]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-c:3:n:n:c:2:c:1:c(:c(:c(:c(:c:1:n(:c:2:n:3)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-543,thiazole_amine_D(3),"s:1:c(:[n+](-[#6](-[#1])-[#1]):c(:c:1-[#1])-[#6])-[#7](-[#1])-c:2:c:c:c:c:c:2[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
-544,thio_urea_H(3),[#6]-2(=[#16])-[#7](-[#6](-[#1])(-[#1])-c:1:c:c:c:o:1)-[#6](=[#7]-[#7]-2-[#1])-[#6]:[#6],PAINS,6
-545,cyano_pyridone_F(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-[#6]#[#7])-[#6]#[#7],PAINS,6
-546,rhod_sat_D(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6
-547,ene_rhod_J(3),"[#6](-[#1])(-[#1])-[#7]-2-[#6](=[$([#16]),$([#7])])-[!#6&!#1]-[#6](=[#6]-1-[#6](=[#6](-[#1])-[#6]:[#6]-[#7]-1-[#6](-[#1])-[#1])-[#1])-[#6]-2=[#8]",PAINS,6
-548,imine_phenol_A(3),[#6]=[#7;!R]-c:1:c:c:c:c:c:1-[#8]-[#1],PAINS,6
-549,thio_carbonate_B(3),[#8]=[#6]-2-[#16]-c:1:c(:c(:c:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#8]-2,PAINS,6
-550,het_thio_N_5A(3),[#7]=[#6]-1-[#7]=[#6]-[#7]-[#16]-1,PAINS,6
-551,het_thio_N_65A(3),[#7]-2-[#16]-[#6]-1=[#6](-[#6]:[#6]-[#7]-[#6]-1)-[#6]-2=[#16],PAINS,6
-552,anil_di_alk_J(3),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]=[#6](-[#6])-[#6]:[#6])-[#1])-[#1],PAINS,6
-553,pyrrole_H(3),n1-2cccc1-[#6]=[#7](-[#6])-[#6]-[#6]-2,PAINS,6
-554,ene_cyano_D(3),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6](-[#16])-[#16],PAINS,6
-555,cyano_cyano_B(3),[#6]-1(-[#6]#[#7])(-[#6]#[#7])-[#6](-[#1])(-[#6](=[#8])-[#6])-[#6]-1-[#1],PAINS,6
-556,ene_five_het_M(3),"[#6]-1=:[#6]-[#6](-[#6](-[$([#8]),$([#16])]-1)=[#6]-[#6]=[#8])=[#8]",PAINS,6
-557,cyano_ene_amine_C(3),[#6]:[#6]-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](-[#6]#[#7])=[#6](-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
-558,thio_urea_I(3),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#7]=[#6]-c:2:c:n:c:c:2,PAINS,6
-559,dhp_amino_CN_F(3),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-c:1:c:c:c:s:1)-[#6](=[#6](-[#6](-[#1])-[#1])-[#8]-2)-[#6](=[#8])-[#8]-[#6],PAINS,6
-560,anthranil_acid_B(3),c:1:c-3:c(:c:c(:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#8]-[#1])-[#6](-[#7](-[#6]-3=[#8])-[#6](-[#1])-[#1])=[#8],PAINS,6
-561,diazox_B(3),[Cl]-c:2:c:c:1:n:o:n:c:1:c:c:2,PAINS,6
-562,thio_aldehyd_A(3),[#6]-[#6](=[#16])-[#1],PAINS,6
-563,thio_amide_B(2),[#6;X4]-[#7](-[#1])-[#6](-[#6]:[#6])=[#6](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6
-564,imidazole_B(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-c1cn(cn1)-[#1],PAINS,6
-565,thiazole_amine_E(2),[#8]=[#6]-[#7](-[#1])-c:1:c(-[#6]:[#6]):n:c(-[#6](-[#1])(-[#1])-[#6]#[#7]):s:1,PAINS,6
-566,thiazole_amine_F(2),[#6](-[#1])-[#7](-[#1])-c:1:n:c(:c:s:1)-c2cnc3n2ccs3,PAINS,6
-567,thio_ester_C(2),[#7]-1-[#6](=[#8])-[#6](=[#6](-[#6])-[#16]-[#6]-1=[#16])-[#1],PAINS,6
-568,ene_one_B(2),[#6](-[#16])(-[#7])=[#6](-[#1])-[#6]=[#6](-[#1])-[#6]=[#8],PAINS,6
-569,quinone_C(2),[#8]=[#6]-3-c:1:c(:c:c:c:c:1)-[#6]-2=[#6](-[#8]-[#1])-[#6](=[#8])-[#7]-c:4:c-2:c-3:c:c:c:4,PAINS,6
-570,keto_naphthol_A(2),"c:1:2:c:c:c:c(:c:1:c(:c:c:c:2)-[$([#8]-[#1]),$([#7](-[#1])-[#1])])-[#6](-[#6])=[#8]",PAINS,6
-571,thio_amide_C(2),[#6](-[#1])(-c:1:c:c:c:c:c:1)(-c:2:c:c:c:c:c:2)-[#6](=[#16])-[#7]-[#1],PAINS,6
-572,phthalimide_misc(2),[#7]-2(-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1])-[#6]-2=[#8])-c:3:c(:c:c(:c(:c:3)-[#1])-[#8])-[#1],PAINS,6
-573,sulfonamide_D(2),c:1:c:c(:c:c:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#7](-[#1])-[#16](=[#8])=[#8],PAINS,6
-574,anil_NH_alk_C(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]-[#1],PAINS,6
-575,het_65_E(2),s1c(c(c-2c1-[#7](-[#1])-[#6](-[#6](=[#6]-2-[#1])-[#6](=[#8])-[#8]-[#1])=[#8])-[#7](-[#1])-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6
-576,hzide_naphth(2),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#7](-[#1])-[#6]=[#8])-[#1])-[#1])-[#1],PAINS,6
-577,anisol_B(2),[#6](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6;X4])-[#1],PAINS,6
-578,thio_carbam_ene(2),[#6]-1=[#6]-[#7]-[#6](-[#16]-[#6;X4]-1)=[#16],PAINS,6
-579,thio_amide_D(2),[#6](-[#7](-[#6]-[#1])-[#6]-[#1]):[#6]-[#7](-[#1])-[#6](=[#16])-[#6]-[#1],PAINS,6
-580,het_65_Da(2),n2nc(c1cccc1c2-[#6])-[#6],PAINS,6
-581,thiophene_D(2),s:1:c(:c(-[#1]):c(:c:1-[#6](=[#8])-[#7](-[#1])-[#7]-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6
-582,het_thio_6_ene(2),[#6]-1:[#6]-[#7]=[#6]-[#6](=[#6]-[#7]-[#6])-[#16]-1,PAINS,6
-583,cyano_keto_A(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#6]#[#7])-[#6](=[#8])-[#6],PAINS,6
-584,anthranil_acid_C(2),"c2(c(-[#7](-[#1])-[#1])n(-c:1:c:c:c:c:c:1-[#6](=[#8])-[#8]-[#1])nc2-[#6]=[#8])-[$([#6]#[#7]),$([#6]=[#16])]",PAINS,6
-585,naphth_amino_C(2),c:2:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#7](-[#7]=[#6]-3)-[#1],PAINS,6
-586,naphth_amino_D(2),c:2:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#7]-[#7]=[#7]-3,PAINS,6
-587,thiazole_amine_G(2),c1csc(n1)-[#7]-[#7]-[#16](=[#8])=[#8],PAINS,6
-588,het_66_B(2),c:1:c:c:c:2:c(:c:1):n:c(:n:c:2)-[#7](-[#1])-[#6]-3=[#7]-[#6](-[#6]=[#6]-[#7]-3-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
-589,coumarin_A(2),c:1-3:c(:c(:c(:c(:c:1)-[#8]-[#6]-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-3,PAINS,6
-590,anthranil_acid_D(2),c:12:c(:c:c:c:n:1)c(c(-[#6](=[#8])~[#8;X1])s2)-[#7](-[#1])-[#1],PAINS,6
-591,het_66_C(2),c:1:2:n:c(:c(:n:c:1:[#6]:[#6]:[#6]:[!#1]:2)-[#6](-[#1])=[#6](-[#8]-[#1])-[#6])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6],PAINS,6
-592,thiophene_amino_E(2),c1csc(c1-[#7](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-c2cccs2,PAINS,6
-593,het_6666_A(2),c:2:c:c:1:n:c:3:c(:n:c:1:c:c:2):c:c:c:4:c:3:c:c:c:c:4,PAINS,6
-594,sulfonamide_E(2),[#6]:[#6]-[#7](-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6
-595,anil_di_alk_K(2),c:1:c:c(:c:c:c:1-[#7](-[#1])-[#1])-[#7](-[#6;X3])-[#6;X3],PAINS,6
-596,het_5_C(2),"[#7]-2=[#6](-c:1:c:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])(-[#6](-[#9])(-[#9])-[#9])-[#7]-2-[$([#6]:[#6]:[#6]:[#6]:[#6]:[#6]),$([#6](=[#16])-[#6]:[#6]:[#6]:[#6]:[#6]:[#6])]",PAINS,6
-597,ene_six_het_B(2),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#6](-[#1])=[#6]-3-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](=[#6](-[#1])-c:2:c:c:c:c:c:2)-[#7]-3-[#1],PAINS,6
-598,steroid_A(2),[#8]=[#6]-4-[#6]-[#6]-[#6]-3-[#6]-2-[#6](=[#8])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1-[#6]-2-[#6]-[#6]-[#6]-3=[#6]-4,PAINS,6
-599,het_565_A(2),c:1:2:c:3:c(:c(-[#8]-[#1]):c(:c:1:c(:c:n:2-[#6])-[#6]=[#8])-[#1]):n:c:n:3,PAINS,6
-600,thio_imine_ium(2),[#6;X4]-[#7+](-[#6;X4]-[#8]-[#1])=[#6]-[#16]-[#6]-[#1],PAINS,6
-601,anthranil_acid_E(2),[#6]-3(=[#8])-[#6](=[#6](-[#1])-[#7](-[#1])-c:1:c:c:c:c:c:1-[#6](=[#8])-[#8]-[#1])-[#7]=[#6](-c:2:c:c:c:c:c:2)-[#8]-3,PAINS,6
-602,hzone_furan_B(2),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:c:c:n:c:c:2",PAINS,6
-603,thiophene_E(2),"c:1(:c(:c(:c(:s:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])-[#6](=[#8])-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6
-604,ene_misc_B(2),[#6]:[#6]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#6]=[#8])-[#7]-2-[#6](=[#8])-[#6]-1(-[#1])-[#6](-[#1])(-[#1])-[#6]=[#6]-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#6]-2=[#8],PAINS,6
-605,het_thio_5_B(2),[#6]-1(-[#6]=[#8])(-[#6]:[#6])-[#16;X2]-[#6]=[#7]-[#7]-1-[#1],PAINS,6
-606,thiophene_amino_F(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#6]#[#7])-[#6]:3:[!#1]:[!#1]:[!#1]:[!#1]:[!#1]:3,PAINS,6
-607,anil_OC_alk_D(2),"[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2-[$([#6](-[#1])-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6
-608,tert_butyl_A(2),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c:c(:c(:c:1-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])-[#7])-[#1],PAINS,6
-609,thio_urea_J(2),c:1(:c(:o:c:c:1)-[#6]-[#1])-[#6]=[#7]-[#7](-[#1])-[#6](=[#16])-[#7]-[#1],PAINS,6
-610,het_thio_65_B(2),[#7](-[#1])-c1nc(nc2nnc(n12)-[#16]-[#6])-[#7](-[#1])-[#6],PAINS,6
-611,coumarin_B(2),c:1-2:c(:c:c:c:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6](=[#8])-[#8]-2)-[#1],PAINS,6
-612,thio_urea_K(2),[#6]-2(=[#16])-[#7]-1-[#6]:[#6]-[#7]=[#7]-[#6]-1=[#7]-[#7]-2-[#1],PAINS,6
-613,thiophene_amino_G(2),[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-c:1:c:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6
-614,anil_NH_alk_D(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c:c:1-[#7](-[#1])-[#6](-[#1])(-[#6])-[#6](-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-615,het_thio_5_C(2),[#16]=[#6]-2-[#7](-[#1])-[#7]=[#6](-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#8]-2,PAINS,6
-616,thio_keto_het(2),[#16]=[#6]-c:1:c:c:c:2:c:c:c:c:n:1:2,PAINS,6
-617,het_thio_N_5B(2),[#6]~1~[#6](~[#7]~[#7]~[#6](~[#6](-[#1])-[#1])~[#6](-[#1])-[#1])~[#7]~[#16]~[#6]~1,PAINS,6
-618,quinone_D(2),[#6]-1(-[#6]=:[#6]-[#6]=:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1],PAINS,6
-619,anil_di_alk_furan_B(2),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(-[#1]):c(:c(:o:1)-[#6](-[#1])=[#6]-[#6]#[#7])-[#1],PAINS,6
-620,ene_six_het_C(2),[#8]=[#6]-1-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7]-[#6]-1=[#6]-[#1],PAINS,6
-621,het_55_A(2),[#6]:[#6]-[#7]:2:[#7]:[#6]:1-[#6](-[#1])(-[#1])-[#16;X2]-[#6](-[#1])(-[#1])-[#6]:1-[#6]:2-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])=[#6]-[#1],PAINS,6
-622,het_thio_65_C(2),n:1:c(:n(:c:2:c:1:c:c:c:c:2)-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-[#6](-[#1])=[#6]-[#1],PAINS,6
-623,hydroquin_A(2),c:1(:c:c(:c(:c:c:1)-[#8]-[#1])-[#6](=!@[#6]-[#7])-[#6]=[#8])-[#8]-[#1],PAINS,6
-624,anthranil_acid_F(2),c:1(:c:c(:c(:c:c:1)-[#7](-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1])-[#8]-[#1],PAINS,6
-625,pyrrole_I(2),n2(-[#6](-[#1])-[#1])c-1c(-[#6]:[#6]-[#6]-1=[#8])cc2-[#6](-[#1])-[#1],PAINS,6
-626,thiophene_amino_H(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6
-627,imine_one_fives_C(2),[#6]:[#6]-[#7;!R]=[#6]-2-[#6](=[!#6&!#1])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6
-628,keto_phenone_zone_A(2),c:1:c:c:c:c:c:1-[#6](=[#8])-[#7](-[#1])-[#7]=[#6]-3-c:2:c:c:c:c:c:2-c:4:c:c:c:c:c-3:4,PAINS,6
-629,dyes7A(2),c:1:c(:c:c:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=!@[#6](-[#1])-[#6](-[#1])=[#6]-[#6]=@[#7]-c:2:c:c:c:c:c:2,PAINS,6
-630,het_pyridiniums_B(2),[#6]:1:2:[!#1]:[#7+](:[!#1]:[#6](:[!#1]:1:[#6]:[#6]:[#6]:[#6]:2)-[*])~[#6]:[#6],PAINS,6
-631,het_5_D(2),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#16]-[#6])-[#6]-2=[#8],PAINS,6
-632,thiazole_amine_H(1),c:1:c:c:c(:c:c:1-[#7](-[#1])-c2nc(c(-[#1])s2)-c:3:c:c:c(:c:c:3)-[#6](-[#1])(-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
-633,thiazole_amine_I(1),[#6](-[#1])(-[#1])-[#7](-[#1])-[#6]=[#7]-[#7](-[#1])-c1nc(c(-[#1])s1)-[#6]:[#6],PAINS,6
-634,het_thio_N_5C(1),[#6]:[#6]-[#7](-[#1])-[#6](=[#8])-c1c(snn1)-[#7](-[#1])-[#6]:[#6],PAINS,6
-635,sulfonamide_F(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6
-636,thiazole_amine_J(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6
-637,het_65_F(1),s2c:1:n:c:n:c(:c:1c(c2-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7]-[#7]=[#6]-c3ccco3,PAINS,6
-638,keto_keto_beta_E(1),[#6](=[#8])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6](-[#8]-[#1])=[#6](-[#1])-[#6](=[#8])-[#6],PAINS,6
-639,ene_five_one_B(1),c:2(:c:1-[#6](-[#6](-[#6](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])(-[#1])-[#1])=[#8])=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6
-640,keto_keto_beta_zone(1),[#6]:[#6]-[#7](-[#1])-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6]:[#6],PAINS,6
-641,thio_urea_L(1),[#6;X4]-[#16;X2]-[#6](=[#7]-[!#1]:[!#1]:[!#1]:[!#1])-[#7](-[#1])-[#7]=[#6],PAINS,6
-642,het_thio_urea_ene(1),[#6]-1(=[#7]-[#7](-[#6](-[#16]-1)=[#6](-[#1])-[#6]:[#6])-[#6]:[#6])-[#6]=[#8],PAINS,6
-643,cyano_amino_het_A(1),c:1(:c(:c:2:c(:n:c:1-[#7](-[#1])-[#1]):c:c:c(:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-[#6]#[#7])-[#6]#[#7],PAINS,6
-644,tetrazole_hzide(1),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7](-[#1])-[#7](-[#1])-c2nnnn2-[#6])=[#8],PAINS,6
-645,imine_naphthol_A(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#7]-[#6]:[#6])-[#6](-[#1])-[#1])-[#8]-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-646,misc_anisole_A(1),c:1(:c(:c:2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1]):c(:c(:c(:c:2-[#7](-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
-647,het_thio_665(1),c:1:c:c-2:c(:c:c:1)-[#16]-c3c(-[#7]-2)cc(s3)-[#6](-[#1])-[#1],PAINS,6
-648,anil_di_alk_L(1),c:1:c:c:c-2:c(:c:1)-[#6](-[#6](-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-4-[#6](-c:3:c:c:c:c:c:3-[#6]-4=[#8])=[#8])(-[#1])-[#1])(-[#1])-[#1],PAINS,6
-649,colchicine_B(1),c:1(:c:c:c(:c:c:1)-[#6]-3=[#6]-[#6](-c2cocc2-[#6](=[#6]-3)-[#8]-[#1])=[#8])-[#16]-[#6](-[#1])-[#1],PAINS,6
-650,misc_aminoacid_A(1),[#6;X4]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6
-651,imidazole_amino_A(1),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#7]=!@[#6])-[#7](-[#1])-[#1],PAINS,6
-652,phenol_sulfite_A(1),[#6](-c:1:c:c:c(:c:c:1)-[#8]-[#1])(-c:2:c:c:c(:c:c:2)-[#8]-[#1])-[#8]-[#16](=[#8])=[#8],PAINS,6
-653,het_66_D(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6],PAINS,6
-654,misc_anisole_B(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c(-[#6](-[#1])-[#1])c:c:2,PAINS,6
-655,tetrazole_A(1),[#6](-[#1])(-[#1])-c1nnnn1-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6
-656,het_65_G(1),[#6]-2(=[#7]-c1c(c(nn1-[#6](-[#6]-2(-[#1])-[#1])=[#8])-[#7](-[#1])-[#1])-[#7](-[#1])-[#1])-[#6],PAINS,6
-657,misc_trityl_A(1),[#6](-[#6]:[#6])(-[#6]:[#6])(-[#6]:[#6])-[#16]-[#6]:[#6]-[#6](=[#8])-[#8]-[#1],PAINS,6
-658,misc_pyridine_OC(1),[#8]=[#6](-c:1:c(:c(:n:c(:c:1-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
-659,het_6_hydropyridone(1),[#7]-1=[#6](-[#7](-[#6](-[#6](-[#6]-1(-[#1])-[#6]:[#6])(-[#1])-[#1])=[#8])-[#1])-[#7]-[#1],PAINS,6
-660,misc_stilbene(1),[#6]-1(=[#6](-[#6](-[#6](-[#6](-[#6]-1(-[#1])-[#1])(-[#1])-[#6](=[#8])-[#6])(-[#1])-[#6](=[#8])-[#8]-[#1])(-[#1])-[#1])-[#6]:[#6])-[#6]:[#6],PAINS,6
-661,misc_imidazole(1),[#6](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[Cl])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[Cl])-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c3nc(c(n3-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6
-662,anil_NH_no_alk_A(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
-663,het_6_imidate_B(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#8]-[#1])-[#6]-2=[#6](-[#8]-[#6](-[#7]=[#7]-2)=[#7])-[#7](-[#1])-[#1],PAINS,6
-664,anil_alk_B(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
-665,styrene_anil_A(1),c:1:c:c-3:c(:c:c:1)-c:2:c:c:c(:c:c:2-[#6]-3=[#6](-[#1])-[#6])-[#7](-[#1])-[#1],PAINS,6
-666,misc_aminal_acid(1),c:1:c:c-2:c(:c:c:1)-[#7](-[#6](-[#8]-[#6]-2)(-[#6](=[#8])-[#8]-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])-[#1],PAINS,6
-667,anil_no_alk_D(1),n:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
-668,anil_alk_C(1),[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#6](-[#6])(-[#6])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
-669,misc_anisole_C(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6]-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])(-[#1])-[#1])-[#6]:[#6],PAINS,6
-670,het_465_misc(1),c:1-2:c:c-3:c(:c:c:1-[#8]-[#6]-[#8]-2)-[#6]-[#6]-3,PAINS,6
-671,anthranil_acid_G(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
-672,anil_di_alk_M(1),c:1(:c:4:c(:n:c(:c:1-[#6](-[#1])(-[#1])-[#7]-3-c:2:c(:c(:c(:c(:c:2-[#6](-[#1])(-[#1])-[#6]-3(-[#1])-[#1])-[#1])-[#1])-[#1])-[#1])-[#1]):c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-673,anthranil_acid_H(1),c:1:c(:c2:c(:c:c:1)c(c(n2-[#1])-[#6]:[#6])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6
-674,thio_urea_M(1),"[#6]:[#6]-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c(:c(:c(:c(:c:1-[F,Cl,Br,I])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1]",PAINS,6
-675,thiazole_amine_K(1),n:1:c3:c(:c:c2:c:1nc(s2)-[#7])sc(n3)-[#7],PAINS,6
-676,het_thio_5_imine_A(1),[#7]=[#6]-1-[#16]-[#6](=[#7])-[#7]=[#6]-1,PAINS,6
-677,thio_amide_E(1),c:1:c(:n:c:c:c:1)-[#6](=[#16])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6
-678,het_thio_676_B(1),c:1-2:c(:c(:c(:c(:c:1-[#6](-c:3:c(-[#16]-[#6]-2(-[#1])-[#1]):c(:c(-[#1]):c(:c:3-[#1])-[#1])-[#1])-[#8]-[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6
-679,sulfonamide_G(1),[#6](-[#1])(-[#1])(-[#1])-c:1:c(:c(:c(:c(:n:1)-[#7](-[#1])-[#16](-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])(=[#8])=[#8])-[#1])-[#1])-[#1],PAINS,6
-680,thio_thiomorph_Z(1),[#6](=[#8])(-[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1)-c:2:c(:c(:c(:c(:c:2-[#16]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-681,naphth_ene_one_A(1),c:1:c:c:3:c:2:c(:c:1)-[#6](-[#6]=[#6](-c:2:c:c:c:3)-[#8]-[#6](-[#1])-[#1])=[#8],PAINS,6
-682,naphth_ene_one_B(1),c:1-3:c:2:c(:c(:c:c:1)-[#7]):c:c:c:c:2-[#6](-[#6]=[#6]-3-[#6](-[F])(-[F])-[F])=[#8],PAINS,6
-683,amino_acridine_A(1),c:1:c:c:c:c:2:c:1:c:c:3:c(:n:2):n:c:4:c(:c:3-[#7]):c:c:c:c:4,PAINS,6
-684,keto_phenone_B(1),c:1:c-3:c(:c:c:c:1)-[#6]-2=[#7]-[!#1]=[#6]-[#6]-[#6]-2-[#6]-3=[#8],PAINS,6
-685,hzone_acid_A(1),c:1-3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#7]-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
-686,sulfonamide_H(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-c:2:n:n:c(:c(:c:2-[#1])-[#1])-[#1],PAINS,6
-687,het_565_indole(1),c2(c(-[#1])n(-[#6](-[#1])-[#1])c:3:c(:c(:c:1n(c(c(c:1:c2:3)-[#1])-[#1])-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6
-688,pyrrole_J(1),c1(c-2c(c(n1-[#6](-[#8])=[#8])-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#16]-2)-[#6](-[#1])-[#1],PAINS,6
-689,pyrazole_amino_B(1),s1ccnc1-c2c(n(nc2-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
-690,pyrrole_K(1),c1(c(c(c(n1-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
-691,anthranil_acid_I(1),c:1:2(:c(:c(:c(:o:1)-[#6])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6]:2-[#6](=[#8])-[#8]-[#1],PAINS,6
-692,thio_amide_F(1),[!#1]:[#6]-[#6](=[#16])-[#7](-[#1])-[#7](-[#1])-[#6]:[!#1],PAINS,6
-693,ene_one_C(1),[#6]-1(=[#8])-[#6](-[#6](-[#6]#[#7])=[#6](-[#1])-[#7])-[#6](-[#7])-[#6]=[#6]-1,PAINS,6
-694,het_65_H(1),c2(c-1n(-[#6](-[#6]=[#6]-[#7]-1)=[#8])nc2-c3cccn3)-[#6]#[#7],PAINS,6
-695,cyano_imine_D(1),[#8]=[#6]-1-[#6](=[#7]-[#7]-[#6]-[#6]-1)-[#6]#[#7],PAINS,6
-696,cyano_misc_A(1),c:2(:c:1:c:c:c:c:c:1:n:n:c:2)-[#6](-[#6]:[#6])-[#6]#[#7],PAINS,6
-697,ene_misc_C(1),c:1:c:c-2:c(:c:c:1)-[#6]=[#6]-[#6](-[#7]-2-[#6](=[#8])-[#7](-[#1])-c:3:c:c(:c(:c:c:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
-698,het_66_E(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-c:3:c:c:c:c:c:3)-c:4:c:c:c:c:c:4-[#8]-[#1],PAINS,6
-699,keto_keto_beta_F(1),[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#6](-[#1])-[#6]#[#6],PAINS,6
-700,misc_naphthimidazole(1),c:1:c:4:c(:c:c2:c:1nc(n2-[#1])-[#6]-[#8]-[#6](=[#8])-c:3:c:c(:c:c(:c:3)-[#7](-[#1])-[#1])-[#7](-[#1])-[#1]):c:c:c:c:4,PAINS,6
-701,naphth_ene_one_C(1),c:2(:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#6]=[#6]-[#6]-3=[#7])-[#7],PAINS,6
-702,keto_phenone_C(1),c:2(:c:1:c:c:c:c:c:1:c-3:c(:c:2)-[#6](-c:4:c:c:c:c:c-3:4)=[#8])-[#8]-[#1],PAINS,6
-703,coumarin_C(1),[#6]-2(-[#6]=[#7]-c:1:c:c(:c:c:c:1-[#8]-2)-[Cl])=[#8],PAINS,6
-704,thio_est_cyano_A(1),[#6]-1=[#6]-[#7](-[#6](-c:2:c-1:c:c:c:c:2)(-[#6]#[#7])-[#6](=[#16])-[#16])-[#6]=[#8],PAINS,6
-705,het_65_imidazole(1),c2(nc:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])n2-[#6])-[#7](-[#1])-[#6](-[#7](-[#1])-c:3:c(:c:c:c:c:3-[#1])-[#1])=[#8],PAINS,6
-706,anthranil_acid_J(1),[#7](-[#1])(-[#6]:[#6])-c:1:c(-[#6](=[#8])-[#8]-[#1]):c:c:c(:n:1)-[#6]:[#6],PAINS,6
-707,colchicine_het(1),c:1-3:c(:c:c:c:c:1)-[#16]-[#6](=[#7]-[#7]=[#6]-2-[#6]=[#6]-[#6]=[#6]-[#6]=[#6]-2)-[#7]-3-[#6](-[#1])-[#1],PAINS,6
-708,ene_misc_D(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#6](-[#6])-[#16]-[#6]-2(-[#1])-[#1])-[#6],PAINS,6
-709,indole_3yl_alk_B(1),c:12:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#6]:[#6])n2-!@[#6]:[#6])-[#6](-[#1])-[#1],PAINS,6
-710,anil_OH_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c:c:c(:c:c:1-[#8]-[#1])-[#16](=[#8])(=[#8])-[#8]-[#1],PAINS,6
-711,thiazole_amine_L(1),s:1:c:c:c(:c:1-[#1])-c:2:c:s:c(:n:2)-[#7](-[#1])-[#1],PAINS,6
-712,pyrazole_amino_A(1),c1c(-[#7](-[#1])-[#1])nnc1-c2c(-[#6](-[#1])-[#1])oc(c2-[#1])-[#1],PAINS,6
-713,het_thio_N_5D(1),n1nscc1-c2nc(no2)-[#6]:[#6],PAINS,6
-714,anil_alk_indane(1),c:1(:c:c-3:c(:c:c:1)-[#7]-[#6]-4-c:2:c:c:c:c:c:2-[#6]-[#6]-3-4)-[#6;X4],PAINS,6
-715,anil_di_alk_N(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#6]-3-[#6](-[#6]#[#7])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#7]-2-3)-[#1],PAINS,6
-716,het_666_C(1),c:2-3:c(:c:c:1:c:c:c:c:c:1:c:2)-[#7](-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#7]-3)-[#6]:[#6]-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
-717,ene_one_D(1),[#6](-[#8]-[#1]):[#6]-[#6](=[#8])-[#6](-[#1])=[#6](-[#6])-[#6],PAINS,6
-718,anil_di_alk_indol(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#1])-[#16](=[#8])=[#8],PAINS,6
-719,anil_no_alk_indol_A(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#6](-[#1])-[#1])-[#1],PAINS,6
-720,dhp_amino_CN_G(1),"[#16;X2]-1-[#6]=[#6](-[#6]#[#7])-[#6](-[#6])(-[#6]=[#8])-[#6](=[#6]-1-[#7](-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6
-721,anil_di_alk_dhp(1),[#7]-2-[#6]=[#6](-[#6]=[#8])-[#6](-c:1:c:c:c(:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6]~3=[#6]-2~[#7]~[#6](~[#16])~[#7]~[#6]~3~[#7],PAINS,6
-722,anthranil_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#7](-[#1])-[#7](-[#1])-c:3:n:c:c:s:3,PAINS,6
-723,hzone_anthran_Z(1),c:1:c:2:c(:c:c:c:1):c(:c:3:c(:c:2):c:c:c:c:3)-[#6]=[#7]-[#7](-[#1])-c:4:c:c:c:c:c:4,PAINS,6
-724,ene_one_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](-[#1])-[#7]-[#6](=[#8])-[#6](-[#7](-[#1])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6](=[#8])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6
-725,het_76_A(1),s:1:c(:c(-[#1]):c(:c:1-[#6]-3=[#7]-c:2:c:c:c:c:c:2-[#6](=[#7]-[#7]-3-[#1])-c:4:c:c:n:c:c:4)-[#1])-[#1],PAINS,6
-726,thio_urea_N(1),o:1:c(:c(-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#6]-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6
-727,anil_di_alk_coum(1),c:1:c(:c:c:c:c:1)-[#7](-[#6]-[#1])-[#6](-[#1])-[#6](-[#1])-[#6](-[#1])-[#7](-[#1])-[#6](=[#8])-[#6]-2=[#6](-[#8]-[#6](-[#6](=[#6]-2-[#6](-[#1])-[#1])-[#1])=[#8])-[#6](-[#1])-[#1],PAINS,6
-728,ene_one_amide_B(1),c2-3:c:c:c:1:c:c:c:c:c:1:c2-[#6](-[#1])-[#6;X4]-[#7]-[#6]-3=[#6](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
-729,het_thio_656c(1),c:1:c(:c:c:c:c:1)-[#6]-4=[#7]-[#7]:2:[#6](:[#7+]:c:3:c:2:c:c:c:c:3)-[#16]-[#6;X4]-4,PAINS,6
-730,het_5_ene(1),[#6]-2(=[#8])-[#6](=[#6](-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#7]=[#6](-c:1:c:c:c:c:c:1)-[#8]-2,PAINS,6
-731,thio_imide_A(1),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[#1])-[#6]-2=[#8])-[#16]-c:3:c:c:c:c:c:3,PAINS,6
-732,dhp_amidine_A(1),[#7]-1(-[#1])-[#7]=[#6](-[#7]-[#1])-[#16]-[#6](=[#6]-1-[#6]:[#6])-[#6]:[#6],PAINS,6
-733,thio_urea_O(1),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])-c:2:c(:c(:c(:o:2)-[#6]-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6
-734,anil_di_alk_O(1),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-735,thio_urea_P(1),[#8]=[#6]-!@n:1:c:c:c-2:c:1-[#7](-[#1])-[#6](=[#16])-[#7]-2-[#1],PAINS,6
-736,het_pyraz_misc(1),[#6](-[F])(-[F])-[#6](=[#8])-[#7](-[#1])-c:1:c(-[#1]):n(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6]):n:c:1-[#1],PAINS,6
-737,diazox_C(1),[#7]-2=[#7]-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#7]=[#7]-[#6]:[#6]-2,PAINS,6
-738,diazox_D(1),[#6]-2(-[#1])(-[#8]-[#1])-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#6](-[#1])(-[#8]-[#1])-[#6]=[#6]-2,PAINS,6
-739,misc_cyclopropane(1),[#6]-1(-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#1])(-[#6](=[#8])-[#7](-[#1])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])(-[#1])-[#8])-[#16](=[#8])(=[#8])-[#6]:[#6],PAINS,6
-740,imine_ene_one_B(1),[#6]-1:[#6]-[#6](=[#8])-[#6]=[#6]-1-[#7]=[#6](-[#1])-[#7](-[#6;X4])-[#6;X4],PAINS,6
-741,coumarin_D(1),c:1:c:c(:c:c-2:c:1-[#6](=[#6](-[#1])-[#6](=[#8])-[#8]-2)-c:3:c:c:c:c:c:3)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#8]:[#6],PAINS,6
-742,misc_furan_A(1),c:1:c(:o:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-c:2:c:c-3:c(:c:c:2)-[#8]-[#6](-[#8]-3)(-[#1])-[#1],PAINS,6
-743,rhod_sat_E(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#7](-[#1])-c:2:c:c:c:c:3:c:c:c:c:c:2:3)-[#6]-4=[#8],PAINS,6
-744,rhod_sat_imine_A(1),[#7]-3(-[#6](=[#8])-c:1:c:c:c:c:c:1)-[#6](=[#7]-c:2:c:c:c:c:c:2)-[#16]-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6
-745,rhod_sat_F(1),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#1])-[#6]-2=[#16],PAINS,6
-746,het_thio_5_imine_B(1),[#7]-1(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6]:[#6])-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6
-747,het_thio_5_imine_C(1),[#16]-1-[#6](=[#7]-[#7]-[#1])-[#16]-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6
-748,ene_five_het_N(1),"[#6]-2(=[#8])-[#6](=[#6](-[#1])-c:1:c(:c:c:c(:c:1)-[F,Cl,Br,I])-[#8]-[#6](-[#1])-[#1])-[#7]=[#6](-[#16]-[#6](-[#1])-[#1])-[#16]-2",PAINS,6
-749,thio_carbam_A(1),[#6](-[#1])(-[#1])-[#16]-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
-750,misc_anilide_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
-751,misc_anilide_B(1),c:1(:c(:c:c(:c:c:1-[#6])-[Br])-[#6])-[#7](-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]-[#6]-[#6],PAINS,6
-752,mannich_B(1),c:1-2:c(:c:c:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6]:[#6]-[#8]-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#1],PAINS,6
-753,mannich_catechol_A(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#8])-[#8])-[#1],PAINS,6
-754,anil_alk_D(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
-755,het_65_I(1),n:1:2:c:c:c(:c:c:1:c:c(:c:2-[#6](=[#8])-[#6]:[#6])-[#6]:[#6])-[#6](~[#8])~[#8],PAINS,6
-756,misc_urea_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#6;X4])(-[#6;X4])-[#7](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
-757,imidazole_C(1),[#6]-3(-[#1])(-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[Br])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1],PAINS,6
-758,styrene_imidazole_A(1),[#6](=[#6](-[#1])-[#6](-[#1])(-[#1])-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])(-[#6]:[#6])-[#6]:[#6],PAINS,6
-759,thiazole_amine_M(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:n:c:c:2)-[#7](-[#1])-[#6]:[#6]-[#6](-[#1])-[#1],PAINS,6
-760,misc_pyrrole_thiaz(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:c:c:c:2)-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-c:3:c:c:c:n:3-[#1],PAINS,6
-761,pyrrole_L(1),n:1(-[#1]):c(:c(-[#6](-[#1])-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#8]-[#6](-[#1])-[#1],PAINS,6
-762,het_thio_65_D(1),"c:2(:n:c:1:c(:c(:c:c(:c:1-[#1])-[F,Cl,Br,I])-[#1]):n:2-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6]",PAINS,6
-763,ene_misc_E(1),c:1(:c(:c-2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]=[#6]-[#6](-[#1])-[#16]-2)-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
-764,thio_cyano_A(1),[#7]-1(-[#1])-[#6](=[#16])-[#6](-[#1])(-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6]-1-[#6]:[#6])-[#1],PAINS,6
-765,cyano_amino_het_B(1),n:1:c(:c(:c(:c(:c:1-[#16;X2]-c:2:c:c:c:c:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-c:3:c:c:c:c:c:3)-[#6]#[#7])-[#7](-[#1])-[#1],PAINS,6
-766,cyano_pyridone_G(1),[#7]-2(-c:1:c:c:c(:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-n:3:c:n:c:c:3)-[#6]#[#7],PAINS,6
-767,het_65_J(1),o:1:c(:c:c:2:c:1:c(:c(:c(:c:2-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](~[#8])~[#8],PAINS,6
-768,ene_one_yne_A(1),[#6]#[#6]-[#6](=[#8])-[#6]#[#6],PAINS,6
-769,anil_OH_no_alk_B(1),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#8]-[#1])-[#6]=[#8])-[#1])-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
-770,hzone_acyl_misc_A(1),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[$([#1]),$([#6](-[#1])-[#1])])-c:2:c:c:c:c(:c:2)-[*]-[*]-[*]-c:3:c:c:c:o:3",PAINS,6
-771,thiophene_F(1),[#16](=[#8])(=[#8])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6
-772,anil_OC_alk_E(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6](-[#1])-[#1],PAINS,6
-773,anil_OC_alk_F(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6]=[#8])-[#16],PAINS,6
-774,het_65_K(1),n1nnnc2cccc12,PAINS,6
-775,het_65_L(1),c:1-2:c(-[#1]):s:c(:c:1-[#6](=[#8])-[#7]-[#7]=[#6]-2-[#7](-[#1])-[#1])-[#6]=[#8],PAINS,6
-776,coumarin_E(1),c:1-3:c(:c:2:c(:c:c:1-[Br]):o:c:c:2)-[#6](=[#6]-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
-777,coumarin_F(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:o:c:c:2-[Br])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
-778,coumarin_G(1),"c:1-2:c(:c:c(:c:c:1-[F,Cl,Br,I])-[F,Cl,Br,I])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#1])-[#6](=[#7]-[#1])-[#8]-2)-[#1]",PAINS,6
-779,coumarin_H(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:c(:c:s:2)-[#6]:[#16]:[#6]-[#1])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
-780,het_thio_67_A(1),[#6](-[#1])(-[#1])-[#16;X2]-c:2:n:n:c:1-[#6]:[#6]-[#7]=[#6]-[#8]-c:1:n:2,PAINS,6
-781,sulfonamide_I(1),[#16](=[#8])(=[#8])(-c:1:c:n(-[#6](-[#1])-[#1]):c:n:1)-[#7](-[#1])-c:2:c:n(:n:c:2)-[#6](-[#1])(-[#1])-[#6]:[#6]-[#8]-[#6](-[#1])-[#1],PAINS,6
-782,het_65_mannich(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#8]-2)-[#6](-[#1])(-[#1])-[#7]-3-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6]-3)-[#1])-[#1])-[#1],PAINS,6
-783,anil_alk_A(1),[#6](-[#1])(-[#1])-[#8]-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c:1:n(:c(:n:c:1:c:2-[#1])-[#1])-[#6]-[#1])-[#1])-[#1],PAINS,6
-784,het_5_inium(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#7+](-c:2:c:c:c:c:c:2)-[#6](=[#7]-c:3:c:c:c:c:c:3)-[#7]-4)-[#1],PAINS,6
-785,anil_di_alk_P(1),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:1:s:c(:n:c:1:c:2)-[#16]-[#6](-[#1])-[#1],PAINS,6
-786,thio_urea_Q(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(-[#1]):c(:c:2-[#1])-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6]:[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6
-787,thio_pyridine_A(1),[#6]:1(:[#7]:[#6](:[#7]:[!#1]:[#7]:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#16]-[#6;X4],PAINS,6
-788,melamine_B(1),n:1:c(:n:c(:n:c:1-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6]-[#1])-[#6]=[#8],PAINS,6
-789,misc_phthal_thio_N(1),c:1(:n:s:c(:n:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](=[#8])-c:2:c:c:c:c:c:2-[#6](=[#8])-[#8]-[#1])-c:3:c:c:c:c:c:3,PAINS,6
-790,hzone_acyl_misc_B(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-c:2:c:c:c:c:c:2-[#8]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
-791,tert_butyl_B(1),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1],PAINS,6
-792,diazox_E(1),[#7](-[#1])(-[#1])-c:1:c(-[#7](-[#1])-[#1]):c(:c(-[#1]):c:2:n:o:n:c:1:2)-[#1],PAINS,6
-793,anil_NH_no_alk_B(1),"[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1])-[F,Cl,Br,I])-[#1]",PAINS,6
-794,anil_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7]=[#6]-2-[#6](=[#6]~[#6]~[#6]=[#6]-2)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
-795,anil_no_alk_B(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-n:2:c:c:c:c:2)-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6
-796,thio_ene_amine_A(1),[#16]=[#6]-[#6](-[#6](-[#1])-[#1])=[#6](-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
-797,het_55_B(1),[#6]-1:[#6]-[#8]-[#6]-2-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#6]-1-2,PAINS,6
-798,cyanamide_A(1),[#8]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-[#6](=[#7]-[#6]#[#7])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6
-799,ene_one_one_A(1),[#8]=[#6]-[#6]-1=[#6](-[#16]-[#6](=[#6](-[#1])-[#6])-[#16]-1)-[#6]=[#8],PAINS,6
-800,ene_six_het_D(1),[#8]=[#6]-1-[#7]-[#7]-[#6](=[#7]-[#6]-1=[#6]-[#1])-[!#1]:[!#1],PAINS,6
-801,ene_cyano_E(1),[#8]=[#6]-[#6](-[#1])=[#6](-[#6]#[#7])-[#6],PAINS,6
-802,ene_cyano_F(1),[#8](-[#1])-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#1])-c:2:c(-[#1]):c(:c(:o:2)-[#6](-[#1])=[#6](-[#6]#[#7])-c:3:n:c:c:n:3)-[#1])-[#1])-[#1],PAINS,6
-803,hzone_furan_C(1),c:1:c(:c:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2)-[#7]=[#6](-[#1])-[#6]:3:[#6](:[#6](:[#6](:[!#1]:3)-c:4:c:c:c:c(:c:4)-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6
-804,anil_no_alk_C(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-c:2:c(-[#1]):c(:c(-[#6](-[#1])-[#1]):o:2)-[#6]=[#8])-[#1])-[#1],PAINS,6
-805,hzone_acid_D(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c(:c:c:1)-[#7]-[#7]=[#6](-[#1])-[#6]:2:[#6](:[#6](:[#6](:[!#1]:2)-c:3:c:c:c:c:c:3)-[#1])-[#1],PAINS,6
-806,hzone_furan_E(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c:c(:c:1)-[#6]:[!#1]:[#6]-[#6]=[#7]-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#8],PAINS,6
-807,het_6_pyridone_NH2(1),[#8](-[#1])-[#6]:1:[#6](:[#6]:[!#1]:[#6](:[#7]:1)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8],PAINS,6
-808,imine_one_fives_D(1),[#6]-1(=[!#6&!#1])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6
-809,pyrrole_M(1),n2(-c:1:c:c:c:c:c:1)c(c(-[#1])c(c2-[#6]=[#7]-[#8]-[#1])-[#1])-[#1],PAINS,6
-810,pyrrole_N(1),n2(-[#6](-[#1])-c:1:c(:c(:c:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#1])c(c2-[#6]-[#1])-[#1])-[#6]-[#1],PAINS,6
-811,pyrrole_O(1),n1(-[#6](-[#1])-[#1])c(c(-[#6](=[#8])-[#6])c(c1-[#6]:[#6])-[#6])-[#6](-[#1])-[#1],PAINS,6
-812,ene_cyano_G(1),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6](-[#6]#[#7])-c:2:n:c:c:s:2)-[#1])-[#1],PAINS,6
-813,sulfonamide_J(1),n3(-c:1:c:c:c:c:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c:s:2)c(c(-[#1])c(c3-[#1])-[#1])-[#1],PAINS,6
-814,misc_pyrrole_benz(1),n2(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])c(c(-[#1])c(c2-[#1])-[#1])-[#1],PAINS,6
-815,thio_urea_R(1),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=[#8],PAINS,6
-816,ene_one_one_B(1),[#6]-1(-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6]-[#6](-[#1])(-[#1])-[#6]-1=[#8])=[#6](-[#7]-[#1])-[#6]=[#8],PAINS,6
-817,dhp_amino_CN_H(1),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#16]-[#6;X4]-[#16]-1,PAINS,6
-818,het_66_anisole(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:c:c:n:c:3:c(:c:c:c(:c:2:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
-819,thiazole_amine_N(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:n:c(:c:s:2)-c:3:c:c:c(:c:c:3)-[#8]-[#6](-[#1])-[#1],PAINS,6
-820,het_pyridiniums_C(1),[#6]~1~3~[#7](-[#6]:[#6])~[#6]~[#6]~[#6]~[#6]~1~[#6]~2~[#7]~[#6]~[#6]~[#6]~[#7+]~2~[#7]~3,PAINS,6
-821,het_5_E(1),[#7]-3(-c:2:c:1:c:c:c:c:c:1:c:c:c:2)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6
-822,"2,2-dimethyl-4,5-dicarboxy-dithiole",C1(C)(C)SC(C(=O)O)=C(C(=O)O)S1,SureChEMBL,5
-823,"2,3,4_trihydroxyphenyl",c([OH])c([OH])c([OH]),SureChEMBL,5
-824,"2,3,5_trihydroxyphenyl",c([OH])c([OH])cc([OH]),SureChEMBL,5
-825,acid_anhydrides,C(=O)OC(=O),SureChEMBL,5
-826,acid_halides,"[S,C](=[O,S])[F,Br,Cl,I]",SureChEMBL,5
-827,Acridine,c1c2cc4ccccc4nc2ccc1,SureChEMBL,5
-828,Active_Phosphate,"P(=S)([OH1,O$(O[#6])])([OH1,O$(O[#6])])[S,O]",SureChEMBL,5
-829,acyl_cyanide,C(=O)-C#N,SureChEMBL,5
-830,Adjacent_Ring_Double_Bonds,[*;R]=[*;R]=[*;R],SureChEMBL,5
-831,Aldehyde,[#6][C!H0]=O,SureChEMBL,5
-832,Aliphatic_Triflate,COS(=O)(=O)C(F)(F)F,SureChEMBL,5
-833,alkyl_halides,"[Br,Cl,I][CX4;CH,CH2]",SureChEMBL,5
-834,AlkylEnamine,"[C;H1$(C([#6;!$(C=O)])),H0$(C([#6;!$(C=O)])[#6;!$(C=O)])]=[CH1]!@N([#6;!$(C(=O))])[#6;!$(C(=O))]",SureChEMBL,5
-835,Allene,*=C=*,SureChEMBL,5
-836,Alpha_Halo_Carbonyl,"[C;!$(C[N])](=O)!@[C;h1,h2;H1,H2][F,Cl,Br,I]",SureChEMBL,5
-837,amidotetrazole,c1nnnn1C=O,SureChEMBL,5
-838,Amino_Naphtalimide,c1(N)ccc(C(=O)NC3(=O))c(c3ccc2)c21,SureChEMBL,5
-839,Aminonitrile,NC#N,SureChEMBL,5
-840,Anhydride,[#6]C(=O)OC(=O)[#6],SureChEMBL,5
-841,Any_Carbazide,O=*N=[N+]=[N-],SureChEMBL,5
-842,aromatic_azides,cN=N=N,SureChEMBL,5
-843,Azanitrone,N=[N+]([O-])C,SureChEMBL,5
-844,azoalkanals,[N;R0]=[N;R0]CC=O,SureChEMBL,5
-845,Azobenzene,c1ccccc1[N!r]=[N!r]c2ccccc2,SureChEMBL,5
-846,Azocyanamide,[N;R0]=[N;R0]C#N,SureChEMBL,5
-847,b-Carbonyl_Quaternary_Nitrogen,"C(=O)CC[N+,n+]",SureChEMBL,5
-848,benzylic_quaternary_nitrogen,"cC[N+,NX4]",SureChEMBL,5
-849,beta-carbonyl_quaternary_nitrogen,"C(=O)C[N+,n+,NX4,nX4]",SureChEMBL,5
-850,Beta-Fluoro-ethyl-ON,"[C;H2$(CF),H1$(C(F)F)]!@[CH2][N,O]",SureChEMBL,5
-851,biotin_analogue,C12C(NC(N1)=O)CSC2,SureChEMBL,5
-852,carbazides,C(=O)N=N=N,SureChEMBL,5
-853,carbodiimides,N=C=N,SureChEMBL,5
-854,CCl3-CHO_releasing,"C(Cl)(Cl)(Cl)C([O,S])[NX3]",SureChEMBL,5
-855,Chloramidine,[Cl]C([C&R0])=N,SureChEMBL,5
-856,Conjugated_Dithioether,SC(=[!r])S,SureChEMBL,5
-857,Crown_Ether_12CRO4,O1CCOCCOCCOCC1,SureChEMBL,5
-858,Crown_Ether_15CRO5,O1CCOCCOCCOCCOCC1,SureChEMBL,5
-859,Crown_Ether_16CRO6,O1CCOCCOCCOCCOCCOCC1,SureChEMBL,5
-860,crown_ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],SureChEMBL,5
-861,cyanamide,N[CH2]C#N,SureChEMBL,5
-862,Cyanophosphonate,P(OCC)(OCC)(=O)C#N,SureChEMBL,5
-863,Cyanohydrin,N#CC[OH1],SureChEMBL,5
-864,di_and_triphosphates,P(=O)([OH])OP(=O)[OH],SureChEMBL,5
-865,Diacetylene,C#CC#C,SureChEMBL,5
-866,Diazoalkane,C=[N+]=[N-],SureChEMBL,5
-867,Diazonium_Salt,[N+]#N,SureChEMBL,5
-868,Diene,C!@=[CH1]-C!@=[CH1]-[CX3](=O),SureChEMBL,5
-869,Dinitrobenzene_1,c1c([N+](=O)[O-])c([N+](=O)[O-])ccc1,SureChEMBL,5
-870,Dinitrobenzene_2,c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1,SureChEMBL,5
-871,Dinitrobenzene_3,c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1,SureChEMBL,5
-872,disulfides,[SX2][SX2],SureChEMBL,5
-873,Dithiocarbamate,NC(=S)S,SureChEMBL,5
-874,Dithiole-2-thione,S1SC=CC1=S,SureChEMBL,5
-875,Dithiole-3-thione,S1C=CSC1=C,SureChEMBL,5
-876,Dithiomethylene_acetal,S[C;!$(C=*)]S,SureChEMBL,5
-877,Enyne,C=!@CC#C,SureChEMBL,5
-878,"epoxides,_thioepoxides,_aziridines","C1[O,S,N]C1",SureChEMBL,5
-879,ester_of_HOBT,C(=O)Onnn,SureChEMBL,5
-880,Flavin,"c1cccc(NC(=NC(=[N,S,O])NC(=O)3)C3=N2)c12",SureChEMBL,5
-881,Fluorescein,c1cc(O)cc(OC(=CC(=O)C=C3)C3=C2)c12,SureChEMBL,5
-882,Fluorinated_Carbon_1,C(C(CF)F)F,SureChEMBL,5
-883,Fluorinated_Carbon_2,C(C(F)F)(F)F,SureChEMBL,5
-884,four_member_lactones,C1(=O)OCC1,SureChEMBL,5
-885,geminal_amines,[NH1;!r][CX4][NH1;!r],SureChEMBL,5
-886,geminal_dinitriles,N#CCC#N,SureChEMBL,5
-887,"halo-pyridine,_-diazoles_and_-triazoles","[Cl,Br,I]c1[c,n][c,n][c,n][c,n]n1",SureChEMBL,5
-888,hydrazothiourea,N=NC(S)N,SureChEMBL,5
-889,Imidazolium,c1[n+]([#6])ccn1([#6]),SureChEMBL,5
-890,Imine2,"[#6,#8,#16]-[CH1]=[NH1]",SureChEMBL,5
-891,imines_(not_ring),"[#6][C;R0](=[N;R0,O0])[#6]",SureChEMBL,5
-892,isocyanates_and_isothiocyanates,"N=C=[S,O]",SureChEMBL,5
-893,isonitrile,[N+]#[C-],SureChEMBL,5
-894,ketene,C=C=O,SureChEMBL,5
-895,Lawesson_Reagent_Derivatives,P(=S)(S)S,SureChEMBL,5
-896,"methylidene-1,3-dithiole",S1C=CSC1=S,SureChEMBL,5
-897,Michael_Phenyl_Ketone,c1ccccc1C(=O)C=!@CC(=O)!@*,SureChEMBL,5
-898,N-halo,"[NX3,NX4][F,Cl,Br,I]",SureChEMBL,5
-899,Nitrobenz-azadiazole_1,"c1ccc(n[o,s]n2)c2c1[N+](=O)[O-]",SureChEMBL,5
-900,Nitrobenz-azadiazole_2,"c1c([N+](=O)[O-])cc(n[o,s]n2)c2c1",SureChEMBL,5
-901,nitrosamine,N-[N;X2](=O),SureChEMBL,5
-902,nitroso,[N&D2](=O),SureChEMBL,5
-903,noname,"N1=C[S,NH1]C(=[C,N,P][C,N,O,P])C1(=O)",SureChEMBL,5
-904,N-Oxide_aliphatic,[N+!$(N=O)][O-X1],SureChEMBL,5
-905,N-S_(not_sulfonamides),[#6][S!$(S(~[OD1])~[OD1])][N;H0],SureChEMBL,5
-906,Orthoester,C(O)(O)[OH],SureChEMBL,5
-907,o-tertbutylphenol,c1c([OH1])c(C(C)(C)C)ccc1,SureChEMBL,5
-908,Oxobenzothiepine,C1(=O)C=CCSC=C1,SureChEMBL,5
-909,P_or_S_Halides,"[P,S][Cl,Br,F,I]",SureChEMBL,5
-910,p-Aminoaryl_diazo,Nc1aaa(N!@=N)aa1,SureChEMBL,5
-911,PCP,PCP,SureChEMBL,5
-912,paranitrophenyl_esters,C(=O)Oc1ccc([N+](=O)[O-])cc1,SureChEMBL,5
-913,pentahalophenyl,"c1c([F,Cl])c([F,Cl])c([F,Cl])c([F,Cl])c1([F,Cl])",SureChEMBL,5
-914,pentafluorophenyl_esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),SureChEMBL,5
-915,peroxide,[#8]~[#8],SureChEMBL,5
-916,Phenanthrene,c12cccc3c1c4c(cc3)cccc4cc2,SureChEMBL,5
-917,Phenylester,C(=O)!@Oc1ccccc1,SureChEMBL,5
-918,phosphonate_esters,[#6]P(=O)(~O)O[#6],SureChEMBL,5
-919,phosphoramides,NP(=O)(N)N,SureChEMBL,5
-920,phosphorane,C=P,SureChEMBL,5
-921,Phosphorus_Halide,"[S,P][F,Cl,Br,I]",SureChEMBL,5
-922,Polyene,C=!@CC=!@C,SureChEMBL,5
-923,polyenes,C=CC=CC=CC=C,SureChEMBL,5
-924,polyene_chain_between_aromatics,cC=CC=CC=Cc,SureChEMBL,5
-925,polyines,CC#CC#CC,SureChEMBL,5
-926,Polynuclear_Aromatic_1,c1cccc(cc(cccc2)c2c3)c13,SureChEMBL,5
-927,Polynuclear_Aromatic_2,c1cccc(c(cccc2)c2cc3)c13,SureChEMBL,5
-928,Polysulfide,*[SX2][SX2][SX2]*,SureChEMBL,5
-929,Sulphur_Halide,"[#16][F,Cl,Br,I]",SureChEMBL,5
-930,pyrene_fragments,c1c2cccc3c2c4c(cc3)cccc4c1,SureChEMBL,5
-931,Pyrylium,c1ccc[o+]c1,SureChEMBL,5
-932,reactive_carbonyls,"[C;!r](=[O,S])[S;!r]",SureChEMBL,5
-933,reactive_carbonyls,"[C;!r](=[O,S])[CD2;!r][F,Br,Cl]",SureChEMBL,5
-934,Ring_Triple_Bond,"[C,c;R]#[C,c;R]",SureChEMBL,5
-935,S=N_(not_ring),[S;R0]=[N;R0],SureChEMBL,5
-936,Sulfonate_Ester,O=[SX4](=O)OC,SureChEMBL,5
-937,sulfonyl_cyanide,S(=O)(=O)C#N,SureChEMBL,5
-938,Sulphate_Ester,"COS(=O)O[C,c]",SureChEMBL,5
-939,sulphonates,"COS(=O)(=O)[C,c]",SureChEMBL,5
-940,Sulphur_Nitrogen_single_bond,[SX2H0]!@[N],SureChEMBL,5
-941,Tetraazinane,C1NNC=NN1,SureChEMBL,5
-942,Thiocyanate,SC#N,SureChEMBL,5
-943,thioesters,"C[O,S;R0][C;R0](=S)",SureChEMBL,5
-944,thioles_(not_aromatic),[!a][SX2;H1],SureChEMBL,5
-945,Thiophosphothionate,"P(=S)(-[S;H1,H0$(S(P)C)])(-[O;H1,H0$(O(P)C)])(-N(C)C)",SureChEMBL,5
-946,thiourea,[N;!r][C;!r](=S)[N;!r],SureChEMBL,5
-947,Three_Membered_Heterocycle,"*1[O,S]*1",SureChEMBL,5
-948,Tri_Pentavalent_S,"[#16v3,#16v5]",SureChEMBL,5
-949,Triacyloxime,C(=O)N(C(=O))OC(=O),SureChEMBL,5
-950,Triazole,c1cnnn1!@C!@[NH1][#6],SureChEMBL,5
-951,triflate,OS(=O)(=O)(C(F)(F)(F)),SureChEMBL,5
-952,Triphenyl_Boranyl,B(c1ccccc1)(c2ccccc2)c3ccccc3,SureChEMBL,5
-953,triphenylphosphines,P(c1aaaaa1)(c1aaaaa1)(c1aaaaa1),SureChEMBL,5
-954,Triphenyl_Silyl,[Si](c1ccccc1)(c2ccccc2)(c3ccccc3),SureChEMBL,5
-955,Vinyl_Halide,"[Cl,Br,I]C=[!O!R]",SureChEMBL,5
-956,Vinyl_Sulphone,"[#6][CH1]!@=[CH1][S;H1,H0$(S(C)C)](=O)(=O)",SureChEMBL,5
-957,sulphates,[#6]S(=O)(=O)O,SureChEMBL,5
-958,tropone,C1C(=O)C=CC=CC=1,SureChEMBL,5
-959,Oxime,"[#6]C(=!@N[$(OC),$([OH])])[#6]",SureChEMBL,5
-960,hydrazone,[#6]C(=!@NNa)[#6],SureChEMBL,5
-961,Nitrosone_not_nitro,[$(N(~!@[#6])!@O);!$([N+]([O-])=O)],SureChEMBL,5
-962,Thiocarbonyl_group,C=S,SureChEMBL,5
-963,enamine_like,C=[NH],SureChEMBL,5
-964,analine,"c1ccccc1[NH2,NH3+]",SureChEMBL,5
-965,acid_anhydrides_2,"[#6]C(=O)!@OC(=!@[N,O])[#6]",SureChEMBL,5
-966,trifluroacetate_amide,FC(F)(F)C(=O)N,SureChEMBL,5
-967,triple_bond,[#6]C#[CH],SureChEMBL,5
-968,Allene,C=C=C,SureChEMBL,5
-969,thiatetrazolidine,"[$(Sc1nnn[nH,n-]1),$(Sc1nn[nH,n-]n1)]",SureChEMBL,5
-970,glycol,"[#6][O;R0][$(C([#6])[#6]),$([CH][#6]),$([CH2])][O;R0][#6]",SureChEMBL,5
-971,oxy-amide,[#6]C(=O)!@C!@C(=O)N,SureChEMBL,5
-972,formate_formide,"O=[CH][O,N][#6]",SureChEMBL,5
-973,pyranone,O=C1C=COC=C1,SureChEMBL,5
-974,Coumarin,c1cc2C=CC(=O)Oc2cc1,SureChEMBL,5
-975,aminothiazole,s1ccnc1[N!H0],SureChEMBL,5
-976,Thiazolidinone,O=C1CSCN1,SureChEMBL,5
-977,Thiomorpholinedione,N1C(=O)CSCC1=O,SureChEMBL,5
-978,oxepine,O1C=CC=CC=C1,SureChEMBL,5
-979,phenylethene,c1ccccc1!@[CH]=!@[C!H0],SureChEMBL,5
-980,Ethene,C=[CH2],SureChEMBL,5
-981,cyclobutene,C1CC=C1,SureChEMBL,5
-982,poly_sub_atomatic,*!@c1c(!@*)c(!@*)c(!@*)c(!@*)c1,SureChEMBL,5
-983,Isotopes,"[2#1,3#1,11C,11c,14C,14c,125I,32P,33P,35S]",SureChEMBL,5
-984,Undesirable_Elements_Salts,"[Ac,Ag,Am,Ar,As,At,Au,Ba,Be,Bi,Bk,Cd,Ce,Cf,Cm,Cr,Cs,Dy,Er,Eu,Fr,Ga,Gd,Ge,He,Hf,Ho,In,Ir,Kr,La,Lu,Mo,Nb,Nd,Ne,Ni,Np,Os,Pa,Pb,Pd,Pm,Po,Pr,Pt,Pu,Ra,Rb,Re,Rh,Rn,Ru,Sb,Sc,Se,Sm,Sr,Ta,Tb,Tc,Te,Th,Ti,Tl,Tm,U,V,W,Xe,Y,Yb,Zr]",SureChEMBL,5
-985,Metal_Carbon_bond,"[#6;$([#6]~[#3,#11,#12,#13,#19,#20,#26,#27,#28,#29,#30])]",SureChEMBL,5
-986,Aromatic_N-Oxide_more_than_one,[n+][O-X1].[n+][O-X1],SureChEMBL,5
-987,Nitro_more_than_one,[N+](=O)[O-].[N+](=O)[O-],SureChEMBL,5
-988,anhydride,C(=O)OC(=O),MLSMR,3
-989,pentafluorophenyl ester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),MLSMR,3
-990,p-nitrophenyl ester,C(=O)Oc1ccc([N+]([O-])=O)cc1,MLSMR,3
-991,any carbazide,O=*N=[N+]=[N-],MLSMR,3
-992,HOBT ester,C(=O)Onnn,MLSMR,3
-993,aromatic azide,cN=[N+]=[N-],MLSMR,3
-994,imine2,"[#6,#8,#16]-[CH1]=[NH1]",MLSMR,3
-995,sulfonyl cyanide,S(=O)(=O)C#N,MLSMR,3
-996,azocyanamide,[N;R0]=[N;R0]C#N,MLSMR,3
-997,cyanohydrin,N#CC[OH],MLSMR,3
-998,acyl cyanide,N#CC(=O),MLSMR,3
-999,acid halide,"[S,C](=[O,S])[F,Br,Cl,I]",MLSMR,3
-1000,chloramidine,[Cl]C([C&R0])=N,MLSMR,3
-1001,P/S halide,"[P,S][F,Cl,Br,I]",MLSMR,3
-1002,quaternary,"[C+,Cl+,I+,P+,S+]",MLSMR,3
-1003,unacceptable atoms,[!#6;!#7;!#8;!#16;!#1;!#3;!#9;!#11;!#12;!#15;!#17;!#19;!#20;!#30;!#35],MLSMR,3
-1004,triacyloxime,C(=O)N(C(=O))OC(=O),MLSMR,3
-1005,b-carbonyl quaternary nitrogen,"C(=O)CC[N+,n+]",MLSMR,3
-1006,benzylic quaternary nitrogen,cC[N+],MLSMR,3
-1007,phosphorane,C=P,MLSMR,3
-1008,Lawesson reagent derivatives,P(=S)(S)S,MLSMR,3
-1009,cyanophosphonate,P(OCC)(OCC)(=O)C#N,MLSMR,3
-1010,sulfonate,"COS(=O)(=O)[C,c]",MLSMR,3
-1011,Heteroaryl sulfonate,"a-S(=O)(=O)-O[$([a&!#6]),$(c[a&!#6]),$(cc[a&!#6]),$(ccc[a&!#6]),$(cccc[a&!#6]),$(ccccc[a&!#6])]",MLSMR,3
-1012,sulfate ester,"COS(=O)O[C,c]",MLSMR,3
-1013,triflate,OS(=O)(=O)C(F)(F)F,MLSMR,3
-1014,polyacidic,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",MLSMR,3
-1015,Sulfonic acid,[OH]-S(=O)(=O)-*,MLSMR,3
-1016,thiol,[SH],MLSMR,3
-1017,benzhydrol,[OH1]-C(-c1ccccc1)c2ccccc2,MLSMR,3
-1018,dihydroxybenzene,[OH1]c1ccc([OH1])cc1,MLSMR,3
-1019,"2,3,4trihydroxyphenyl",c([OH])c([OH])c([OH]),MLSMR,3
-1020,"2,4,5trihydroxyphenyl",c([OH])c([OH])cc([OH]),MLSMR,3
-1021,allene,*=C=*,MLSMR,3
-1022,Azide,N=N=N,MLSMR,3
-1023,azoalkanal,[N;R0]=[N;R0]CC=O,MLSMR,3
-1024,hydrazothiourea,N=NC(=S)N,MLSMR,3
-1025,Azo,N=N,MLSMR,3
-1026,aldehyde,[#6]-[CH1]=O,MLSMR,3
-1027,hemiacetal,[#6]-O[CH1](-[#6])[OH1],MLSMR,3
-1028,acetal,[#6]-O[CH1](-[#6])O-[#6],MLSMR,3
-1029,Ketone,[#6]-C(=O)-[#6],MLSMR,3
-1030,Ester,[#6]-C(=O)O-[#6],MLSMR,3
-1031,imine 1,"[#6,#8,#16]-C(=[NH1])[#6,#8,#16]",MLSMR,3
-1032,Imine 3,C=[NH],MLSMR,3
-1033,thioketone,CC(=S)C,MLSMR,3
-1034,thioester,"C[O,S;R0][C;R0](=S)",MLSMR,3
-1035,thionoester,COC(=S)C,MLSMR,3
-1036,thioamide,CC(=S)N,MLSMR,3
-1037,thiourea,NC(=S)N,MLSMR,3
-1038,nitroso,[N&D2](=O),MLSMR,3
-1039,long chain hydrocarbon,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],MLSMR,3
-1040,Long aliphatic chain,"[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]",MLSMR,3
-1041,Unbranched chain,"[$([A&D2]),$([A&D1])]!@[A&D2]!@[A&D2]!@[A&D2]!@[A&D2]!@[$([A&D2]),$([A&D1])]",MLSMR,3
-1042,polyene,C=CC=CC=CC=C,MLSMR,3
-1043,Dye 25,acC=&!@Cca,MLSMR,3
-1044,isonitrile,[N+]#[C-],MLSMR,3
-1045,thiocyanate,SC#N,MLSMR,3
-1046,cyanamide,N[CH2]C#N,MLSMR,3
-1047,Dye 16 (1),c([N+](=O)[O-]),MLSMR,3
-1048,nitro aromatic 2+,a-[N+](=O)[O-].a-[N+](=O)[O-],MLSMR,3
-1049,Dye 29,"O=[N+](-[O-])-caac-[$(N(C)C),$([NH]C),$([NH2])]",MLSMR,3
-1050,Dye 1 (1),"c1cccc(C(=O)[C,c]([#7])=,:[C,c]([#7])C2(=O))c12",MLSMR,3
-1051,Dye 7,"N=C1[#6]:,=[#6]C(=[C,N])[#6]:,=[#6]1",MLSMR,3
-1052,Dye 11,"*=,:[#6]C([#6]=,:*)[#6]=,:*",MLSMR,3
-1053,Dye 9,ac-*=&!@*-&!@C(=O)-&!@ca,MLSMR,3
-1054,Dye 32,"c1cccc2C(=O)C(C:,=*)C(=O)c12",MLSMR,3
-1055,Dye 6,c12cccc(C(=O)C(ca)C(=O)3)c2c3ccc1,MLSMR,3
-1056,Dye 22,NS(=O)(=O)c1cccc([#7])c1,MLSMR,3
-1057,Dye 2,OCccCO,MLSMR,3
-1058,Dye 26,c1ccccc1-n2nnnc2[CH2]*,MLSMR,3
-1059,alkyl halide,"[Br,Cl,I][CX4,CH,CH2,CH3]",MLSMR,3
-1060,Perhalo_ketone,"O=CC(-[F,Cl,Br,I])([F,Cl,Br,I])-[F,Cl,Br,I]",MLSMR,3
-1061,Beta halo carbonyl,"O=CCC[F,Cl,Br,I]",MLSMR,3
-1062,4-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[n]:[c,n]:[c,n]1",MLSMR,3
-1063,2-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[c,n]:[c,n]:[n]1",MLSMR,3
-1064,Hetero_hetero,"*[N,S,O]-&!@[N,S,O][#6]",MLSMR,3
-1065,peroxide,OO,MLSMR,3
-1066,disulfide,SS,MLSMR,3
-1067,hydrazine,[#6]-[NH]-[NH]-[#6],MLSMR,3
-1068,acyl hydrazine,[N;R0][N;R0]C(=O),MLSMR,3
-1069,vinyl michael acceptor1,"[#6]-[CH1]=C-C(=O)[#6,#7,#8]",MLSMR,3
-1070,vinyl michael acceptor2,"[CH2]=C-C(=O)[#6,#7,#8]",MLSMR,3
-1071,michael acceptor 5,N#CC(=C)C#N,MLSMR,3
-1072,Michael acceptor 6,"[#6,#7]-&!@[#6](=&!@[CH])-&!@C(=O)-&!@[C,N,O,S]",MLSMR,3
-1073,alkynyl michael acceptor1,"[#6]-C#CC(=O)[#6,#7,#8]",MLSMR,3
-1074,alkynyl michael acceptor2,"[CH1]#CC(=O)-[#6,#7,#8]",MLSMR,3
-1075,nitroalkane,C[N+](=O)[O-],MLSMR,3
-1076,crown ether,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],MLSMR,3
-1077,nitrate,[#6]-O-[N+](=O)[O-],MLSMR,3
-1078,Oxalyl,O=C-&!@C=O,MLSMR,3
-1079,Dipeptide,*-C(=O)-&!@[NH]-C-&!@C(=O)-&!@[NH]-*,MLSMR,3
-1080,quaternary nitroxy,C[N+](-[O-])(C)C,MLSMR,3
-1081,Triphenylphosphine,a-P(-a)-a,MLSMR,3
-1082,Phosphoric acid,[OH]-P(=O)(-O)-*,MLSMR,3
-1083,Phosphoric ester,COP(=O)(-*)O,MLSMR,3
-1084,di/triphosphate,P(=O)([OH])OP(=O)[OH],MLSMR,3
-1085,tri phosphoric esters,[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6],MLSMR,3
-1086,phosphoramide,NP(=O)(N)N,MLSMR,3
-1087,Phenalene,c1(c)c2c(c)cccc2ccc1,MLSMR,3
-1088,(poly(azo(anthracene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1[c,n]c3:[c,n]:[c,n]:[c,n]:[c,n]:c3[c,n]2",MLSMR,3
-1089,(poly(azo(phenanthrene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1:[c,n]:[c,n]:c3:[c,n]:[c,n]:[c,n]:[c,n]:c23",MLSMR,3
-1090,Dye 31,a1aaac2ac3acac4aaac(c34)c12,MLSMR,3
-1091,Dye 4,c12ccccc1C(=O)c3ccccc3C2=O,MLSMR,3
-1092,Dye 8,c12cccc(C(=O)N(-&!@C)C(=O)3)c2c3ccc1,MLSMR,3
-1093,"epoxide, aziridine, thioepoxide","C1[O,S,N]C1",MLSMR,3
-1094,propiolactone,C1(=O)OCC1,MLSMR,3
-1095,b-lactam,N1CCC1=O,MLSMR,3
-1096,cycloheximide,O=C1CCCC(N1)=O,MLSMR,3
-1097,aromatic Sulfonic ester,"[#6,#7]-S(=O)(=O)Oc",MLSMR,3
-1098,quinone,"[$([o,n]=c1ccc(=[o,n])cc1),$([O,N]=C1C=CC(=[O,N])C=C1),$([O,N]=C1[#6]:,=[#6]C(=[O,N])[#6]:,=[#6]1)]",MLSMR,3
-1099,saponin,O1CCCCC1OC2CCC3CCCCC3C2,MLSMR,3
-1100,monensin,O1CCCCC1C2CCCO2,MLSMR,3
-1101,squalestatin,C12OCCC(O1)CC2,MLSMR,3
-1102,cyanidin,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,MLSMR,3
-1103,cytochalasin,O=C1NCC2CCCCC21,MLSMR,3
-1104,Filter1_2_halo_ether,"[Cl,Br,I][CX4][CX4][$([O,S,N]*),Cl,Br,I]",Inpharmatica,1
-1105,Filter2_acyl_phosphyl_sulfonyl_halide,"[C,S,P](=O)[F,Cl,Br,I]",Inpharmatica,1
-1106,Filter3_allyl_halide,"[F,Cl,Br,I][CX4]C=C",Inpharmatica,1
-1107,Filter4_alpha_halo_carbonyl,"[Br,Cl,I][C!H0]C=[O,S]",Inpharmatica,1
-1108,Filter5_azo,"[$([NX2R0]-[!#7]),$([NX2R0H1])]=[$([NX2R0]-[!#7]),$([NX2R0H1])]",Inpharmatica,1
-1109,Filter6_benzyl_halide,"[Br,Cl,I][CX4]c",Inpharmatica,1
-1110,Filter7_diazo,[!#7]~[NX2]~[NX1],Inpharmatica,1
-1111,Filter8_thio_isocyanat_diimin,"N=C=[N,O,P,S]",Inpharmatica,1
-1112,Filter9_metal,"[$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53]~[*]),$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53;h])]",Inpharmatica,1
-1113,Filter10_Terminal_vinyl,"[CH2]=[CH][N,O,P,S;R0]",Inpharmatica,1
-1114,Filter11_nitrosamin,[NR0]~[NX2]~[OX1],Inpharmatica,1
-1115,Filter12_nitroso,"[$([NX2]~*),$([NX2H])]~[OX1]",Inpharmatica,1
-1116,Filter13_PS_double_bond,"S=[$([PX2]~*),$([PX2H])]",Inpharmatica,1
-1117,Filter14_thio_oxopyrylium_salt,"c1ccc[s,o;X2]c1",Inpharmatica,1
-1118,Filter15_thiosulfate,[SX4](~S)(~O)(~O)~*,Inpharmatica,1
-1119,Filter16_trialkyl_phosphin,[PX3]([#6])([#6])[#6],Inpharmatica,1
-1120,Filter17_trialkyl_phosphin2,[PX4](~[!O!S])([#6])([#6])[#6],Inpharmatica,1
-1121,Filter18_oxime_ester,"[$([CX3H1]-[!#7]),$([CX3H2])]=NO[C,S,P](=O)*",Inpharmatica,1
-1122,Filter19_hydroxyimide_ester,O=C[NX3](C=O)OC(=O)*,Inpharmatica,1
-1123,Filter20_hydrazine,[Nv3X3][Nv3X3!H0],Inpharmatica,1
-1124,Filter21_cyanhydrin,[NX1]#C[CX4][OH],Inpharmatica,1
-1125,Filter22_sulfonium_salt,*[SX3](*)*,Inpharmatica,1
-1126,Filter23_ortho_quinone,C1(C=CC=CC1=O)=O,Inpharmatica,1
-1127,Filter24_react_imide,"*C([F,Cl,Br,I,$(OS(=O)(=O)*)])=[NX2]*",Inpharmatica,1
-1128,Filter25_sulfonyl_halide,"*S(=O)(=O)[F,Cl,Br,I]",Inpharmatica,1
-1129,Filter26_alkyl_halide,"AA[CH2][F,Cl,Br,I,$(OS(=O)(=O)*)]",Inpharmatica,1
-1130,Filter27_anhydride,"*[C,S](=O)O[C,S](=O)*",Inpharmatica,1
-1131,Filter28_halo_pyrimidine,"c1nc(ncc1)[Br,I]",Inpharmatica,1
-1132,Filter29_thioester,"CC(=[OX1,SX1,NH])[$([SX2]-*),$([SX2H])]",Inpharmatica,1
-1133,Filter30_beta_halo_carbonyl,"[$(C(-C)(-C)(=O)),$([CH](=O)-C)](=O)CC[Br,I]",Inpharmatica,1
-1134,Filter31_so_bond,"[SX2R0][OX2]",Inpharmatica,1
-1135,Filter32_oo_bond,"[OX2R0][OX2]",Inpharmatica,1
-1136,Filter33_c10_alkyl,[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2],Inpharmatica,1
-1137,Filter34_isotope,"[2#1,3#1,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]",Inpharmatica,1
-1138,Filter35_pp_bond,P-P,Inpharmatica,1
-1139,Filter36_ss_double_bond,S=S,Inpharmatica,1
-1140,Filter37_silicate,[Si]~O,Inpharmatica,1
-1141,Filter38_aldehyde,O=[CH]*,Inpharmatica,1
-1142,Filter39_imine,C[CR0]=[NR0][*!O],Inpharmatica,1
-1143,Filter40_epoxide_aziridine,"C1C[N,S,O]1",Inpharmatica,1
-1144,Filter41_12_dicarbonyl,*C(=O)C(=O)*,Inpharmatica,1
-1145,Filter42_12_dicarbonyl_tautomer,[*!$(C[OH])]=C([OH])C(=O)*,Inpharmatica,1
-1146,Filter43_michael_acceptor_sp1,C#CC=O,Inpharmatica,1
-1147,Filter44_michael_acceptor2,"[$([C!$(C1(=O)C=CC(=O)C=C1)]C),$([Ch]),$(C[OH0])](=O)C=[C!$(C[Nv3X3,OH])]",Inpharmatica,1
-1148,Filter45_allyl_halide2,"[Br,Cl,I][CX4]C=[C,N,P]",Inpharmatica,1
-1149,Filter46_nhalide,"N[F,Cl,Br,I]",Inpharmatica,1
-1150,Filter47_so2f,O=S(=O)(*)F,Inpharmatica,1
-1151,Filter48_foso,O=S(*)OF,Inpharmatica,1
-1152,Filter49_halogen,"[FX2,ClX2,BrX2,IX2,IX3,IX4,IX5]",Inpharmatica,1
-1153,Filter50_grignard,"C[Mg][F,Cl,Br,I]",Inpharmatica,1
-1154,Filter51_pn3,N[PX3](N)N,Inpharmatica,1
-1155,Filter52_NC_haloamine,"NC[F,Cl,Br,I]",Inpharmatica,1
-1156,Filter53_para_quinones,O=C1C=CC(=O)C=C1,Inpharmatica,1
-1157,Filter56_SS_bond,S-S,Inpharmatica,1
-1158,Filter57_polyphenol1,Oc1cc(O)cc(O)c1,Inpharmatica,1
-1159,Filter58_polyphenol2,Oc1c(O)cc(O)cc1,Inpharmatica,1
-1160,Filter59_phoshorous_ylide,C=P,Inpharmatica,1
-1161,Filter60_Acyclic_N-S,N!@[SX2],Inpharmatica,1
-1162,Filter61_phosphor_halide_and_P_S_bond,"[#15]~[F,Cl,Br,I,#16]",Inpharmatica,1
-1163,Filter62_oxo_thio_halide,"[O,S]~[Cl,Br,I]",Inpharmatica,1
-1164,Filter63_polyaromatic,a1aaaa2ccc3ccccc3c12,Inpharmatica,1
-1165,Filter64_halo_ketone_sulfone,"[#6][C,S](=[O,S])C[F,Cl,Br,I]",Inpharmatica,1
-1166,Filter65_alkyl_sulfonate,"[#6][P,S](~[OX1])(~[OX1])O[C!H0]",Inpharmatica,1
-1167,Filter66_c4_perfluoralkyl,C(F)(F)C(F)(F)C(F)(F)C(F)(F),Inpharmatica,1
-1168,Filter67_S_or_O_C_triplebond_N,"[O,S]C#N",Inpharmatica,1
-1169,Filter68_anthracene_acridine,a1aaac2cc3ccccc3cc12,Inpharmatica,1
-1170,Filter69_thio_carbonate,"[O,S]C(=[O,S])[O,S]",Inpharmatica,1
-1171,Filter70_AlkylCN2,*(C#N)C#N,Inpharmatica,1
-1172,Filter71_thio_anhydride,"*C(=[O,S])[O,S]C(=[O,S])*",Inpharmatica,1
-1173,Filter72_hydrated_di_ketone,C(=O)C([OH])[OH],Inpharmatica,1
-1174,Filter73_thio_ketone,CC(=S)C,Inpharmatica,1
-1175,Filter74_thiol,*[SX2H],Inpharmatica,1
-1176,Filter75_alkyl_Br_I,"[C!H0][Br,I]",Inpharmatica,1
-1177,Filter76_S_ester,CC(=S)O,Inpharmatica,1
-1178,Filter77_alkyl_NO2,"[*!#7]~[#6]-,=CN(~O)(~O)",Inpharmatica,1
-1179,Filter78_bicyclic_Imide,*~@C1C(=O)NC(=O)C(~@*)1,Inpharmatica,1
-1180,Filter79_maleimide,[CH]1C(=O)NC(=O)[CH]=1,Inpharmatica,1
-1181,Filter80_Thioepoxide_aziridone,"[N,S]1[C,N,S][C,N,S]1",Inpharmatica,1
-1182,Filter81_Thiocarbamate,"S!@C(=!@[O,S])!@[#7]",Inpharmatica,1
-1183,Filter82_pyridinium,"[c,n]1[c,n][c,n][c,n][c,n]n(C)1",Inpharmatica,1
-1184,Filter83_per_halo_chain,"[F,Cl,Br,I]C-,=;!@C([F,Cl,Br,I])-,=;!@C([F,Cl,Br,I])",Inpharmatica,1
-1185,Filter84_nitrogen_mustard,"[N,P,Se,S][C!H0]C[Br,Cl,I]",Inpharmatica,1
-1186,Filter85_keto_acrylonitrile,*C(=O)C(=!@[C!H0])C#N,Inpharmatica,1
-1187,Filter86_cyanamide,N#C[#7!$(N(C#N)=C(N)NC)],Inpharmatica,1
-1188,Filter87_crowns,"[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[O,N]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@C",Inpharmatica,1
-1189,Filter88_ene_sulfone,[C!H0]=CS(=O)(=O)*,Inpharmatica,1
-1190,Filter89_hydroxylamine,"[*!$(C=O)]!@N!@[$([OX2])]",Inpharmatica,1
-1191,Filter90_N_double_bond_S,N=!@S,Inpharmatica,1
-1192,Filter92_trityl,*(c1ccccc1)(c1ccccc1)(c1ccccc1),Inpharmatica,1
-1193,Filter93_acetyl_urea,C(=O)!@N!@C(=O)[#7],Inpharmatica,1
-1194,Filter94_2_halo_pyridine,"c1nc(ccc1)[Br,I,Cl,F]",Inpharmatica,1
-1195,aromatic NO2,O~N(=O)-c(:*):*,LINT,2
-1196,deuterium,[2H],LINT,2
-1197,C13,[13#6],LINT,2
-1198,2-chloropyridine,n1c(cccc1)Cl,LINT,2
-1199,aniline,[NH2D1]-c(:*):*,LINT,2
-1200,"Si,B,Se atoms","[Si,B,Se]",LINT,2
-1201,hetero imides,[!#6]-[CH2]-N1C(=O)CCC(=O)1,LINT,2
-1202,poly ethers,O[CH2][CH2]O-!@[CH2][CH2]O,LINT,2
-1203,acyclic imines,"[$([CX3R0]([#6])[#6]),$([CX3HR0][#6])]=[$([NX2R0][#6]),$([NX2HR0])]",LINT,2
-1204,alkyl esters of S or P,"[S,P](=O)OC",LINT,2
-1205,ugly P compounds,"P(=[O,S])[C,N]([C,N])[C,N]",LINT,2
-1206,"acyclic N-,=N and not N bound to carbonyl or sulfone","[N;!$(N-[C,S]=*)]-,=;!@[N;!$(N-[C,S]=*)]",LINT,2
-1207,acyclic N-C-N,N-!@[CX4]-!@N,LINT,2
-1208,acyclic N-S,N-!@[SX2]-*,LINT,2
-1209,mustards,"[N,S,O][CH2][CH2]-[F,Cl,Br,I]",LINT,2
-1210,aldehyde,O=[C!H0],LINT,2
-1211,"1,2-dicarbonyl not in ring",O=[CX3]-!@[CX3]=O,LINT,2
-1212,"carbamate, T-boc Protected",NC(OC([CH3])([CH3])[CH3])=O,LINT,2
-1213,"carbamate, CBZ Protected",NC(O[CH2]c1ccccc1)=O,LINT,2
-1214,carbamate include di-substitued N,OC(=O)-!@[NX3],LINT,2
-1215,acyl halide,"O=C-[F,Cl,Br,I]",LINT,2
-1216,alkyl halide,"[CH2]-[Cl,Br,I]",LINT,2
-1217,alpha halo carbonyl,"O=C-C-[F,Cl,Br,I]",LINT,2
-1218,sufonyl halide,"S(=O)(=O)-[F,Cl,Br,I]",LINT,2
-1219,N:C-SCH2 groups,[ND1]=C-!@[SX2]-[CH2D2],LINT,2
-1220,26,N-C(=S)-N,LINT,2
-1221,terminal vinyl,[CH2D1]=[CD2]-!@*,LINT,2
-1222,28,S=P~*,LINT,2
-1223,thio cyanates,S-C#N,LINT,2
-1224,thiols,*-[S!H0],LINT,2
-1225,thionyl,[Sv4](=O)(-!@[!#1])-!@[!#1],LINT,2
-1226,n-haloamines,"N-[F,Cl,Br,I]",LINT,2
-1227,N-C-Hal or cyano methyl,"N-C-[F,Cl,Br,I,$(C#N)]",LINT,2
-1228,alpha beta-unsaturated ketones; center of Michael reactivity,"[$(C#N),$(N(~O)~O),$(C=O),$(S(=O)=O),$(C(F)(F)F),Cl][C!H0]=[C!H0]",LINT,2
-1229,aliphatic ketone not ring and not di-carbonyl,[C;!$(C=*)][C!R](=O)[CH2D2],LINT,2
-1230,"aliphatic ester, not lactones",C[C!R](=O)[O!R][CH2D2],LINT,2
-1231,"long aliphatic chain, 6+",[CH2][CH2][CH2]-!@[CH2][CH2][CH2],LINT,2
-1232,quinones,"O=[#6]1[#6]:,=[#6][#6](=O)[#6]:,=[#6]1",LINT,2
-1233,acyclic C=C-O,C=C-!@O-*,LINT,2
-1234,acyclic C=N-H,[NH1X2]=[C!R;!$(C(-N)(=[NH1])-N)],LINT,2
-1235,acyclic NO not nitro,O-!@[N;!$(N(=O)=O);!$([N+](=O)[O-])],LINT,2
-1236,42,S-S,LINT,2
-1237,43,O~O,LINT,2
-1238,thioester,C-C(=O)[SD2],LINT,2
-1239,aziridine-like N in 3-membered ring,N~1~*~*1,LINT,2
-1240,epoxides,O~1C~*1,LINT,2
-1241,aryl iodide,I-c:*,LINT,2
-1242,aryl bromide,Br-c:*,LINT,2
-1243,multiple aromatic rings,a1aaa2a(a1)aaa(a2):a,LINT,2
-1244,multiple aromatic rings,"[!#1]-,:1-:a2a(-:[!#1]:3:a1aaaa3)aaaa2",LINT,2
-1245,S/PO3 groups,"[P,S](~O)(~O)~O",LINT,2
-1246,adamantyl,C12CC3CC(C1)CC(C2)C3,LINT,2
-1247,too many cyano Groups (>1),C#N.C#N,LINT,2
-1248,too many COOH groups (>1),[CX3](=O)[OH1].[CX3](=O)[OH1],LINT,2
-1249,amino acid,[NH2][CX4]C(=O)O,LINT,2
-1250,chlorates,Cl~O,LINT,2
-1251,high halogen content (>3),"[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I]",LINT,2
+description,smarts,group,priority
+R1 Reactive alkyl halides,"[Br,Cl,I][CX4;CH,CH2]",Glaxo,8
+R2 Acid halides,"[S,C](=[O,S])[F,Br,Cl,I]",Glaxo,8
+R3 Carbazides,O=CN=[N+]=[N-],Glaxo,8
+R4 Sulphate esters,"COS(=O)O[C,c]",Glaxo,8
+R5 Sulphonates,"COS(=O)(=O)[C,c]",Glaxo,8
+R6 Acid anhydrides,C(=O)OC(=O),Glaxo,8
+R7 Peroxides,OO,Glaxo,8
+R8 Pentafluorophenyl esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),Glaxo,8
+R9 Paranitrophenyl esters,C(=O)Oc1ccc(N(=O)~[OX1])cc1,Glaxo,8
+R10 esters of HOBT,C(=O)Onnn,Glaxo,8
+R11 Isocyanates & Isothiocyanates,"N=C=[S,O]",Glaxo,8
+R12 Triflates,OS(=O)(=O)C(F)(F)F,Glaxo,8
+R13 lawesson's reagent and derivatives,P(=S)(S)S,Glaxo,8
+R14 phosphoramides,NP(=O)(N)N,Glaxo,8
+R15 Aromatic azides,cN=[N+]=[N-],Glaxo,8
+R16 beta carbonyl quaternary Nitrogen,"C(=O)C[N+,n+]",Glaxo,8
+R17 acylhydrazide,[N;R0][N;R0]C(=O),Glaxo,8
+"R18 Quaternary C, Cl, I, P or S","[C+,Cl+,I+,P+,S+]",Glaxo,8
+R19 Phosphoranes,C=P,Glaxo,8
+R20 Chloramidines,[Cl]C([C&R0])=N,Glaxo,8
+R21 Nitroso,[N&D2](=O),Glaxo,8
+R22 P/S Halides,"[P,S][Cl,Br,F,I]",Glaxo,8
+R23 Carbodiimide,N=C=N,Glaxo,8
+R24 Isonitrile,[N+]#[C-],Glaxo,8
+R25 Triacyloximes,C(=O)N(C(=O))OC(=O),Glaxo,8
+R26 Cyanohydrins,N#CC[OH],Glaxo,8
+R27 Acyl cyanides,N#CC(=O),Glaxo,8
+R28 Sulfonyl cyanides,S(=O)(=O)C#N,Glaxo,8
+R29 Cyanophosphonates,P(OCC)(OCC)(=O)C#N,Glaxo,8
+R30 Azocyanamides,[N;R0]=[N;R0]C#N,Glaxo,8
+R31 Azoalkanals,[N;R0]=[N;R0]CC=O,Glaxo,8
+I1 Aliphatic methylene chains 7 or more long,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],Glaxo,8
+I2 Compounds with 4 or more acidic groups,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",Glaxo,8
+I3 Crown ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],Glaxo,8
+I4 Disulphides,SS,Glaxo,8
+I5 Thiols,[SH],Glaxo,8
+"I6 Epoxides, Thioepoxides, Aziridines","C1[O,S,N]C1",Glaxo,8
+"I7 2,4,5 trihydroxyphenyl",c([OH])c([OH])c([OH]),Glaxo,8
+"I8 2,3,4 trihydroxyphenyl",c([OH])c([OH])cc([OH]),Glaxo,8
+I9 Hydrazothiourea,N=NC(=S)N,Glaxo,8
+I10 Thiocyanate,SC#N,Glaxo,8
+I11 Benzylic quaternary Nitrogen,cC[N+],Glaxo,8
+I12 Thioesters,"C[O,S;R0][C;R0](=S)",Glaxo,8
+I13 Cyanamides,N[CH2]C#N,Glaxo,8
+I14 Four membered lactones,C1(=O)OCC1,Glaxo,8
+I15 Di and Triphosphates,P(=O)([OH])OP(=O)[OH],Glaxo,8
+I16 Betalactams,N1CCC1=O,Glaxo,8
+N1 Quinones,O=C1[#6]~[#6]C(=O)[#6]~[#6]1,Glaxo,8
+N2 Polyenes,C=CC=CC=CC=C,Glaxo,8
+N3 Saponin derivatives,O1CCCCC1OC2CCC3CCCCC3C2,Glaxo,8
+N4 Cytochalasin derivatives,O=C1NCC2CCCCC21,Glaxo,8
+N5 Cycloheximide derivatives,O=C1CCCC(N1)=O,Glaxo,8
+N6 Monensin derivatives,O1CCCCC1C2CCCO2,Glaxo,8
+N7 Cyanidin derivatives,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,Glaxo,8
+N8 Squalestatin derivatives,C12OCCC(O1)CC2,Glaxo,8
+> 2 ester groups,"C(=O)O[C,H1].C(=O)O[C,H1].C(=O)O[C,H1]",Dundee,4
+2-halo pyridine,"n1c([F,Cl,Br,I])cccc1",Dundee,4
+acid halide,"C(=O)[Cl,Br,I,F]",Dundee,4
+acyclic C=C-O,C=[C!r]O,Dundee,4
+acyl cyanide,N#CC(=O),Dundee,4
+acyl hydrazine,C(=O)N[NH2],Dundee,4
+aldehyde,[CH1](=O),Dundee,4
+Aliphatic long chain,[R0;D2][R0;D2][R0;D2][R0;D2],Dundee,4
+alkyl halide,"[CX4][Cl,Br,I]",Dundee,4
+amidotetrazole,c1nnnn1C=O,Dundee,4
+aniline,c1cc([NH2])ccc1,Dundee,4
+azepane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4
+Azido group,N=[N+]=[N-],Dundee,4
+Azo group,N#N,Dundee,4
+azocane,[CH2R2]1N[CH2R2][CH2R2][CH2R2][CH2R2][CH2R2][CH2R2]1,Dundee,4
+benzidine,"[cR2]1[cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2][cR2]1[cR2]2[cR2][cR2][cR2]([Nv3X3,Nv4X4])[cR2][cR2]2",Dundee,4
+beta-keto/anhydride,"[C,c](=O)[CX4,CR0X3,O][C,c](=O)",Dundee,4
+biotin analogue,C12C(NC(N1)=O)CSC2,Dundee,4
+Carbocation/anion,"[C+,c+,C-,c-]",Dundee,4
+catechol,"c1c([OH])c([OH,NH2,NH])ccc1",Dundee,4
+charged oxygen or sulfur atoms,"[O+,o+,S+,s+]",Dundee,4
+chinone,"C1(=[O,N])C=CC(=[O,N])C=C1",Dundee,4
+chinone,"C1(=[O,N])C(=[O,N])C=CC=C1",Dundee,4
+conjugated nitrile group,C=[C!r]C#N,Dundee,4
+crown ether,"[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]@[CR2]@[CR2]@[OR2,NR2]",Dundee,4
+cumarine,c1ccc2c(c1)ccc(=O)o2,Dundee,4
+cyanamide,N[CH2]C#N,Dundee,4
+cyanate/aminonitrile/thiocyanate,"[N,O,S]C#N",Dundee,4
+cyanohydrins,N#CC[OH],Dundee,4
+cycloheptane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4
+cycloheptane,[CR2]1[CR2][CR2]cc[CR2][CR2]1,Dundee,4
+cyclooctane,[CR2]1[CR2][CR2][CR2][CR2][CR2][CR2][CR2]1,Dundee,4
+cyclooctane,[CR2]1[CR2][CR2]cc[CR2][CR2][CR2]1,Dundee,4
+diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])c([N+0X3R0,nX3R0])[cR2][cR2]1",Dundee,4
+diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2]c([N+0X3R0,nX3R0])[cR2]1",Dundee,4
+diaminobenzene,"[cR2]1[cR2]c([N+0X3R0,nX3R0])[cR2][cR2]c1([N+0X3R0,nX3R0])",Dundee,4
+diazo group,[N!R]=[N!R],Dundee,4
+diketo group,"[C,c](=O)[C,c](=O)",Dundee,4
+disulphide,SS,Dundee,4
+enamine,[CX2R0][NX3R0],Dundee,4
+ester of HOBT,C(=O)Onnn,Dundee,4
+four member lactones,C1(=O)OCC1,Dundee,4
+halogenated ring,"c1cc([Cl,Br,I,F])cc([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4
+halogenated ring,"c1ccc([Cl,Br,I,F])c([Cl,Br,I,F])c1[Cl,Br,I,F]",Dundee,4
+heavy metal,"[Hg,Fe,As,Sb,Zn,Se,se,Te,B,Si]",Dundee,4
+het-C-het not in ring,"[NX3R0,NX4R0,OR0,SX2R0][CX4][NX3R0,NX4R0,OR0,SX2R0]",Dundee,4
+hydantoin,C1NC(=O)NC(=O)1,Dundee,4
+hydrazine,N[NH2],Dundee,4
+hydroquinone,"[OH]c1ccc([OH,NH2,NH])cc1",Dundee,4
+hydroxamic acid,C(=O)N[OH],Dundee,4
+imine,C=[N!R],Dundee,4
+imine,"N=[CR0][N,n,O,S]",Dundee,4
+iodine,I,Dundee,4
+isocyanate,N=C=O,Dundee,4
+isolated alkene,"[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]=[$([CH2]),$([CH][CX4]),$(C([CX4])[CX4])]",Dundee,4
+ketene,C=C=O,Dundee,4
+"methylidene-1,3-dithiole",S1C=CSC1=S,Dundee,4
+Michael acceptor,"C=!@CC=[O,S]",Dundee,4
+Michael acceptor,"[$([CH]),$(CC)]#CC(=O)[C,c]",Dundee,4
+Michael acceptor,"[$([CH]),$(CC)]#CS(=O)(=O)[C,c]",Dundee,4
+Michael acceptor,C=C(C=O)C=O,Dundee,4
+Michael acceptor,"[$([CH]),$(CC)]#CC(=O)O[C,c]",Dundee,4
+N oxide,"[NX2,nX3][OX1]",Dundee,4
+"N-acyl-2-amino-5-mercapto-1,3,4-thiadiazole",s1c(S)nnc1NC=O,Dundee,4
+N-C-halo,"NC[F,Cl,Br,I]",Dundee,4
+N-halo,"[NX3,NX4][F,Cl,Br,I]",Dundee,4
+N-hydroxyl pyridine,n[OH],Dundee,4
+nitro group,[N+](=O)[O-],Dundee,4
+N-nitroso,[#7]-N=O,Dundee,4
+oxime,"[C,c]=N[OH]",Dundee,4
+oxime,"[C,c]=NOC=O",Dundee,4
+Oxygen-nitrogen single bond,"[OR0,NR0][OR0,NR0]",Dundee,4
+perfluorinated chain,[CX4](F)(F)[CX4](F)F,Dundee,4
+peroxide,OO,Dundee,4
+phenol ester,c1ccccc1OC(=O)[#6],Dundee,4
+phenyl carbonate,c1ccccc1OC(=O)O,Dundee,4
+phosphor,P,Dundee,4
+phthalimide,"[cR,CR]~C(=O)NC(=O)~[cR,CR]",Dundee,4
+Polycyclic aromatic hydrocarbon,a1aa2a3a(a1)A=AA=A3=AA=A2,Dundee,4
+Polycyclic aromatic hydrocarbon,a21aa3a(aa1aaaa2)aaaa3,Dundee,4
+Polycyclic aromatic hydrocarbon,a31a(a2a(aa1)aaaa2)aaaa3,Dundee,4
+polyene,[CR0]=[CR0][CR0]=[CR0],Dundee,4
+quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[nX3+,NX3+](~[s,S,c,C,n,N])~[s,S,c,C,n,N]",Dundee,4
+quaternary nitrogen,"[s,S,c,C,n,N,o,O]~[n+,N+](~[s,S,c,C,n,N,o,O])(~[s,S,c,C,n,N,o,O])~[s,S,c,C,n,N,o,O]",Dundee,4
+quaternary nitrogen,[*]=[N+]=[*],Dundee,4
+saponine derivative,O1CCCCC1OC2CCC3CCCCC3C2,Dundee,4
+silicon halogen,"[Si][F,Cl,Br,I]",Dundee,4
+stilbene,c1ccccc1C=Cc2ccccc2,Dundee,4
+sulfinic acid,"[SX3](=O)[O-,OH]",Dundee,4
+Sulfonic acid,"[C,c]S(=O)(=O)O[C,c]",Dundee,4
+Sulfonic acid,"S(=O)(=O)[O-,OH]",Dundee,4
+sulfonyl cyanide,S(=O)(=O)C#N,Dundee,4
+sulfur oxygen single bond,[SX2]O,Dundee,4
+sulphate,OS(=O)(=O)[O-],Dundee,4
+Sulphur-nitrogen single bond,[SX2H0][N],Dundee,4
+Thiobenzothiazole,c12ccccc1(SC(S)=N2),Dundee,4
+thiobenzothiazole,c12ccccc1(SC(=S)N2),Dundee,4
+Thiocarbonyl group,"[C,c]=S",Dundee,4
+thioester,SC=O,Dundee,4
+thiol,[S-],Dundee,4
+thiol,[SH],Dundee,4
+Three-membered heterocycle,"*1[O,S,N]*1",Dundee,4
+triflate,OS(=O)(=O)C(F)(F)F,Dundee,4
+triphenyl methylsilyl,"[SiR0,CR0](c1ccccc1)(c2ccccc2)(c3ccccc3)",Dundee,4
+triple bond,C#C,Dundee,4
+2halo_pyrazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7][#6][#6]1",BMS,7
+2halo_pyrazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6;!$(c-N)][#7][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)]1",BMS,7
+2halo_pyridazine_3EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#6][#7]1",BMS,7
+2halo_pyridazine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#6][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7]1",BMS,7
+2halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c-N)][#6][#6;!$(c-N)]1",BMS,7
+2halo_pyridine_5EWG,"[#7;R1]1[#6;!$(c=O)]([F,Cl,Br,I])[#6][#6;!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6;!$(c=O);!$(c-N)]1",BMS,7
+2halo_pyrimidine_5EWG,"[#7;R1]1[#6]([F,Cl,Br,I])[#7][#6][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7
+3halo_pyridazine_2EWG,"[#7;R1]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6][#7]1",BMS,7
+3halo_pyridazine_4EWG,"[#7;R1]1[#6][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6][#7]1",BMS,7
+4_pyridone_3_5_EWG,"[#7,#8,#16]1~[#6;H]~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6](=O)~[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])~[#6;H]1",BMS,7
+4halo_pyridine_3EWG,"[#7;R1]1[#6;!$(c=O);!$(c-N)][#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]([F,Cl,Br,I])[#6][#6;!$(c=O);!$(c-N)]1",BMS,7
+4halo_pyrimidine_2_6EWG,"[#7]1[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#7;R1][#6]([F,Cl,Br,I])[#6][#6]1([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7
+4halo_pyrimidine_5EWG,"[#7]1[#6][#7;R1][#6]([F,Cl,Br,I])[#6]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])[#6]1",BMS,7
+CH2_S#O_3_ring,"[CH2]1[O,S]C1",BMS,7
+HOBT_ester,"O=C(-[!N])O[$(nnn),$([#7]-[#7]=[#7])]",BMS,7
+NO_phosphonate,P(=O)ON,BMS,7
+acrylate,[CH2]=[C;!$(C-N);!$(C-O)]C(=O),BMS,7
+activated_4mem_ring,"[#6]1~[$(C(=O)),$(S(=O))]~[O,S,N]~[$(C(=O)),$(S(=O))]1",BMS,7
+activated_S#O_3_ring,"C1~[O,S]~[C,N,O,S]1[a,N,O,S]",BMS,7
+activated_acetylene,"[$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))]C#[C;!$(C-N);!$(C-n)]",BMS,7
+activated_diazo,"[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])=[N;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7
+activated_vinyl_ester,"O=COC=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7
+activated_vinyl_sulfonate,"O(-S(=O)(=O))C=[$(C(S(=O)(=O))),$(C(C(F)(F)(F))),$(C(C#N)),$(C(N(=O)(=O))),$(C([N+](=O)[O-])),$(C(C(=O)));!$(C(N))]",BMS,7
+acyclic_imide,"[C,c][C;!R](=O)[N;!R][C;!R](=O)[C,c]",BMS,7
+acyl_123_triazole,[#7;R1]1~[#7;R1]~[#7;R1](-C(=O))~[#6]~[#6]1,BMS,7
+acyl_134_triazole,[#7]1~[#7]~[#6]~[#7](-C(=O)[!N])~[#6]1,BMS,7
+acyl_activated_NO,"O=C(-[!N])O[$([#7;+]),$(N(C=[O,S,N])(C=[O,S,N]))]",BMS,7
+acyl_cyanide,C(=O)-C#N,BMS,7
+acyl_imidazole,"[C;!$(C-N)](=O)[#7]1[#6;H1,$([#6]([*;!R]))][#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7
+acyl_pyrazole,"[C;!$(C-N)](=O)[#7]1[#7][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))][#6;H1,$([#6]([*;!R]))]1",BMS,7
+aldehyde,"[C,c][C;H1](=O)",BMS,7
+alpha_dicarbonyl,C(=O)!@C(=O),BMS,7
+alpha_halo_EWG,"[$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-])]-[CH,CH2]-[Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7
+alpha_halo_amine,"[F,Cl,Br,I,$(O(S(=O)(=O)))]-[CH,CH2;!$(C(F)F)]-[N,n]",BMS,7
+alpha_halo_carbonyl,"C(=O)([CH,CH2][Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7
+alpha_halo_heteroatom,"[N,n,O,S;!$(S(=O)(=O))]-[CH,CH2;!$(C(F)(F))][F,Cl,Br,I,$(O(S(=O)(=O)))]",BMS,7
+alpha_halo_heteroatom_tert,"[N,n,O,S;!$(S(=O)(=O))]-C([Cl,Br,I,$(O(S(=O)(=O)))])(C)(C)",BMS,7
+anhydride,"[$(C(=O)),$(C(=S))]-[O,S]-[$(C(=O)),$(C(=S)),$(C(=[N;!R])),$(C(=N(-[C;X4])))]",BMS,7
+aryl_phosphonate,P(=O)-[O;!R]-a,BMS,7
+aryl_thiocarbonyl,a-[S;X2;!R]-[C;!R](=O),BMS,7
+azide,"[$(N#[N+]-[N-]),$([N-]=[N+]=N)]",BMS,7
+aziridine_diazirine,"[C,N]1~[C,N]~N~1",BMS,7
+azo_amino,[N]=[N;!R]-[N],BMS,7
+azo_aryl,c[N;!R;!+]=[N;!R;!+]-c,BMS,7
+azo_filter1,[N;!R]=[N;!R]-[N]=[*],BMS,7
+azo_filter2,[N;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!r3;!$(N-S(=O)(=O));!$(N-C=O)]-[N;!$(N-S(=O)(=O));!$(N-C=O)],BMS,7
+azo_filter3,[N;!R]-[N;!R]-[N;!R],BMS,7
+azo_filter4,a-N=N-[N;H2],BMS,7
+bad_boron,"[B-,BH2,BH3,$(B(F)(F))]",BMS,7
+bad_cations,"[C+,F+,Cl+,Br+,I+,Se+]",BMS,7
+benzidine_like,c([N;!+])1ccc(c2ccc([N;!+])cc2)cc1,BMS,7
+beta_lactone,"[#6,#15,#16]1(=O)~[#6]~[#6]~[#8,#16]1",BMS,7
+betalactam,C1(=O)~[#6]~[#6]N1,BMS,7
+betalactam_EWG,"C1(=O)~[#6]~[#6]N1([$(S(=O)(=O)[C,c,O&D2]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)[C,c,O&D2])])",BMS,7
+bis_activated_aryl_ester,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7
+bis_keto_olefin,"CC(=O)[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]=[$([C&H1]),$(C-F),$(C-Cl),$(C-Br),$(C-I)]C(=O)C",BMS,7
+boron_warhead,"[C,c]~[#5]",BMS,7
+branched_polycyclic_aromatic,a1(a2aa(a3aaaaa3)aa(a4aaaaa4)a2)aaaaa1,BMS,7
+carbodiimide_iso#thio#cyanate,"N=C=[N,O,S]",BMS,7
+carbonyl_halide,"O=C[F,Cl,Br,I]",BMS,7
+contains_metal,"[$([Ru]),$([Rh]),$([#34]),$([Pd]),$([Sc]),$([Bi]),$([Sb]),$([Ag]),$([Ti]),$([Al]),$([Cd]),$([V]),$([In]),$([Cr]),$([Sn]),$([Mn]),$([La]),$([Fe]),$([Er]),$([Tm]),$([Yb]),$([Lu]),$([Hf]),$([Ta]),$([W]),$([Re]),$([Co]),$([Os]),$([Ni]),$([Ir]),$([Cu]),$([Zn]),$([Ga]),$([Ge]),$([#33]),$([Y]),$([Zr]),$([Nb]),$([Ce]),$([Pr]),$([Nd]),$([Sm]),$([Eu]),$([Gd]),$([Tb]),$([Dy]),$([Ho]),$([Pt]),$([Au]),$([Hg]),$([Tl]),$([Pb]),$([Ac]),$([Th]),$([Pa]),$([Mo]),$([U]),$([Tc]),$([Te]),$([Po]),$([At])]",BMS,7
+crown_ether,"[$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18]),$([O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][CH,CH2;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18][O,S,#7;R1;r9,r10,r11,r12,r13,r14,r15,r16,r17,r18])]",BMS,7
+cyano_phosphonate,"P(O[A,a])(O[A,a])(=O)C#N",BMS,7
+cyanohydrin,"[C;X4](-[OH,NH1,NH2,SH])(-C#N)",BMS,7
+diamino_sulfide,"[N,n]~[S;!R;D2]~[N,n]",BMS,7
+diazo_carbonyl,"[$(N=N=C~C=O),$(N#N-C~C=O)]",BMS,7
+diazonium,a[N+]#N,BMS,7
+dicarbonyl_sulfonamide,"[$(N(-C(=O))(-C(=O))(-S(=O))),$(n([#6](=O))([#6](=O))([#16](=O)))]",BMS,7
+disulfide_acyclic,[S;!R;X2]-[S;!R;X2],BMS,7
+disulfonyliminoquinone,S(=O)(=O)N=C1C=CC(=NS(=O)(=O))C=C1,BMS,7
+double_trouble_warhead,NC(C[S;D1])C([N;H1]([O;D1]))=O,BMS,7
+flavanoid,O=C2CC(a3aaaaa3)Oa1aaaaa12,BMS,7
+four_nitriles,C#N.C#N.C#N.C#N,BMS,7
+gte_10_carbon_sb_chain,[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R]-[C;!R],BMS,7
+gte_2_N_quats,"[N,n;H0;+;!$(N~O);!$(n~O)].[N,n;H0;+;!$(N~O);!$(n~O)]",BMS,7
+gte_2_free_phos,P([O;D1])=O.P([O;D1])=O,BMS,7
+gte_2_sulfonic_acid,"[C,c]S(=O)(=O)[O;D1].[C,c]S(=O)(=O)[O;D1]",BMS,7
+gte_3_COOH,C(=O)[O;D1].C(=O)[O;D1].C(=O)[O;D1],BMS,7
+gte_3_iodine,[#53].[#53].[#53],BMS,7
+gte_4_basic_N,"[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(Nc)].[N;!$(N(=[N,O,S,C]));!$(N(S(=O)(=O)));!$(N(C(F)(F)(F)));!$(N(C#N));!$(N(C(=O)));!$(N(C(=S)));!$(N(C(=N)));!$(N(#C));!$(N-c)]",BMS,7
+gte_4_nitro,"[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)].[$([N+](=O)[O-]),$(N(=O)=O)]",BMS,7
+gte_5_phenolic_OH,a[O;D1].a[O;D1].a[O;D1].a[O;D1].a[O;D1],BMS,7
+gte_7_aliphatic_OH,C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1].C[O;D1],BMS,7
+gte_7_total_hal,"[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I].[Cl,Br,I]",BMS,7
+gte_8_CF2_or_CH2,"[CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0][CH2,$(C(F)(F));R0]",BMS,7
+halo_5heterocycle_bis_EWG,"[#7,#8,#16]1[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#6]([$(S(=O)(=O)),$([F,Cl]),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])[#7][#6]1([Cl,Br,I])",BMS,7
+halo_acrylate,"[$([C;H2]),$([C&H1;$(C-F)]),$([C&H1;$(C-Cl)]),$([C&H1;$(C-Br)]),$([C&H1;$(CI)]),$(C(F)F),$(C(Cl)Cl),$(C(Br)Br),$(C(I)I),$(C(F)Cl),$(C(F)Br),$(C(F)I),$(C(Cl)Br),$(C(Br)I)](=[$([C&H1;$(C(-C(=O)))]),$(C(F)(C(=O))),$(C(Cl)(C(=O))),$(C(Br)(C(=O))),$(C(I)(C(=O))),$(C(C)(C(=O))),$(C(c)(C(=O)))])",BMS,7
+halo_imino,"C(=[#7])([Cl,Br,I,$(O(S(=O)(=O)))])",BMS,7
+halo_olefin_bis_EWG,"C([Cl,Br,I,$(O(S(=O)(=O)))])=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])",BMS,7
+halo_phenolic_carbonyl,"C(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7
+halo_phenolic_sulfonyl,"S(=O)Oc1c([Cl,F])[cH1,$(c[F,Cl])]c([F,Cl])[cH1,$(c[F,Cl])]c1([F,Cl])",BMS,7
+halogen_heteroatom,"[!C;!c;!H][F,Cl,Br,I]",BMS,7
+hetero_silyl,[Si]~[!#6],BMS,7
+hydrazine,[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))]-[N;X3;!$(N-S(=O)(=O));!$(N-C(F)(F)(F));!$(N-C#N);!$(N-C(=O));!$(N-C(=S));!$(N-C(=N))],BMS,7
+hydrazothiourea,[N;!R]=NC(=S)N,BMS,7
+hydroxamate_warhead,C([N;H1]([O;D1]))=O,BMS,7
+hyperval_sulfur,"[$([#16&D3]),$([#16&D4])]=,:[#6]",BMS,7
+isonitrile,[N+]#[C-],BMS,7
+keto_def_heterocycle,"[$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naaaa1),$(c([C;!R;!$(C-[N,O,S]);!$(C-[H])](=O))1naa[n,s,o]1)]",BMS,7
+linear_polycyclic_aromatic_I,"[$(a12aaaaa1aa3a(aa(aaaa4)a4a3)a2),$(a12aaaaa1aa3a(aaa4a3aaaa4)a2),$(a12aaaaa1a(aa5)a3a(aaa4a3a5aaa4)a2)]",BMS,7
+linear_polycyclic_aromatic_II,"[$(a12aaaa4a1a3a(aaaa3aa4)aa2),$(a12aaaaa1a3a(aaa4a3aaaa4)aa2),$(a1(a(aaaa4)a4a3a2aaaa3)a2aaaa1)]",BMS,7
+maleimide_etc,"[$([C;H1]),$(C(-[F,Cl,Br,I]))]1=[$([C;H1]),$(C(-[F,Cl,Br,I]))]C(=O)[N,O,S]C(=O)1",BMS,7
+meldrums_acid_deriv,O=C1OC(C)(C)OC(C1)=O,BMS,7
+monofluoroacetate,"[C;H2](F)C(=O)[O,N,S]",BMS,7
+nitrone,[C;!R]=[N+][O;D1],BMS,7
+nitrosamine,N-[N;X2](=O),BMS,7
+non_ring_CH2O_acetal,"[O,N,S;!$(S~O)]!@[CH2]!@[O,S,N;!$(S~O)]",BMS,7
+non_ring_acetal,"[O,N,S;!$(S~O)]!@[C;H1;X4]!@[O,N,S;!$(S~O)]",BMS,7
+non_ring_ketal,"[O,N,S;!$(S~O)]!@[C;H0;X4](!@[O,N,S;!$(S~O)])(C)",BMS,7
+ortho_hydroiminoquinone,c1c([N;D1])c([N;D1])c[cH1][cH1]1,BMS,7
+ortho_hydroquinone,"a1c([O,S;D1])c([O,S;D1])a[cH1][cH1]1",BMS,7
+ortho_nitrophenyl_carbonyl,"[#6]1(-O-[C;!R](=[O,N;!R]))[#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6][#6][#6]1",BMS,7
+ortho_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=CC(=[O,N,S;!R])C(=[O,N,S])C=[CH1,$(C(-[Cl,Br,I]))]1",BMS,7
+oxaziridine,"C1~[O,S]~N1",BMS,7
+oxime,[$(C=N[O;D1]);!$(C=[N+])][#6][#6],BMS,7
+oxonium,"[o+,O+]",BMS,7
+para_hydroiminoquinone,a1[cH1]c([N;D1])[cH1]ac([N;D1])1,BMS,7
+para_hydroquinone,"a1[cH1]c([O,S;D1])[cH1]ac([O,S;D1])1",BMS,7
+para_nitrophenyl_ester,"[#6]1(-O(-[C;!R](-[!N])(=[O,N;!R])))[#6][#6][#6]([$(N(=O)(=O)),$([N+](=O)[O-])])[#6][#6]1",BMS,7
+para_quinone,"[CH1,$(C(-[Cl,Br,I]))]1=[CH1,$(C(-[Cl,Br,I]))]C(=[O,N,S])[CH1,$(C(-[Cl,Br,I]))]=[CH1,$(C(-[Cl,Br,I]))]C1(=[O,N,S])",BMS,7
+paraquat_like,[#6]1[#6][#6]([#6]2[#6][#6][#7;+][#6][#6]2)[#6][#6][#7;+]1,BMS,7
+pentafluorophenylester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),BMS,7
+perchloro_cp,C1(Cl)(Cl)C(Cl)C(Cl)=C(Cl)C1(Cl),BMS,7
+perhalo_dicarbonyl_phenyl,"c1(C=O)c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1(C=O)",BMS,7
+perhalo_phenyl,"c1c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c([Br,Cl,I])c1([Br,Cl,I])",BMS,7
+peroxide,[#8]~[#8],BMS,7
+phenolate_bis_EWG,"O=[C,S]Oc1aaa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1",BMS,7
+phos_serine_warhead,NC(COP(O)(O)=O)C(O)=O,BMS,7
+phos_threonine_warhead,NC(C(C)OP(O)(O)=O)C(O)=O,BMS,7
+phos_tyrosine_warhead,NC(Cc1ccc(OP(O)(O)=O)cc1)C(O)=O,BMS,7
+phosphite,"[c,C]-[P;v3]",BMS,7
+phosphonium,[#15;+]~[!O],BMS,7
+phosphorane,C=P,BMS,7
+phosphorous_nitrogen_bond,"[#15]~[N,n]",BMS,7
+phosphorus_phosphorus_bond,P~P,BMS,7
+phosphorus_sulfur_bond,P~S,BMS,7
+polyene,C=[C;!R][C;!R]=[C;!R][C;!R]=[C;!R],BMS,7
+polyhalo_phenol_a,"c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1.c1c([O;D1])c(-[Cl,Br,I])c(-[Cl,Br,I])cc1",BMS,7
+polyhalo_phenol_b,"c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1.c1c([O;D1])c(-[Cl,Br,I])cc(-[Cl,Br,I])c1",BMS,7
+polyhalo_phenol_c,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7
+polyhalo_phenol_d,"c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1.c(-[Cl,Br,I])1c([O;D1])c(-[Cl,Br,I])ccc1",BMS,7
+polyhalo_phenol_e,"c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1.c1c([O;D1])ccc(-[Cl,Br,I])c(-[Cl,Br,I])1",BMS,7
+polysulfide,[S;D2]-[S;D2]-[S;D2],BMS,7
+porphyrin,"[#6;r16,r17,r18]~[#6]1~[#6]~[#6]~[#6](~[#6])~[#7]1",BMS,7
+primary_halide_sulfate,"[CH2][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7
+quat_N_N,"[N,n;R;+]!@[N,n]",BMS,7
+quat_N_acyl,"[N,n;+]!@C(=O)",BMS,7
+quinone_methide,"[#6;!$([#6](-[N,O,S]))]1=[#6;!$([#6](-[N,O,S]))][#6](=[#6])[#6;!$([#6](-[N,O,S]))]=[#6;!$([#6](-[N,O,S]))][#6]1(=[O,N,S])",BMS,7
+rhodanine,C(=C)1SC(=S)NC(=O)1,BMS,7
+secondary_halide_sulfate,"[CH;!$(C=C)][Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))]",BMS,7
+sulf_D2_nitrogen,[S;D2](-[N;!$(N(=C));!$(N(-S(=O)(=O)));!$(N(-C(=O)))]),BMS,7
+sulf_D2_oxygen_D2,[S;D2][O;D2],BMS,7
+sulf_D3_nitrogen,"[S;D3](-N)(-[c,C])(-[c,C])",BMS,7
+sulfite_sulfate_ester,"[C,c]OS(=O)O[C,c]",BMS,7
+sulfonium,[S+;X3;$(S-C);!$(S-[O;D1])],BMS,7
+sulfonyl_anhydride,"[$(C(=O)),$(S(=O)(=O))][O,S](S(=O)(=O))",BMS,7
+sulfonyl_halide,"S(=O)(=O)[F,Cl,Br,I]",BMS,7
+sulfonyl_heteroatom,"[!#6;!#1;!#11;!#19]O(S(=O)(=O)(-[C,c]))",BMS,7
+sulphonyl_cyanide,S(=O)(=O)C#N,BMS,7
+tertiary_halide_sulfate,"[C;X4](-[Cl,Br,I,$(O(S(=O)(=O)[!$(N);!$([O&D1])]))])(-[c,C])(-[c,C])(-[c,C])",BMS,7
+thio_hydroxamate,"[S;D2]([$(N(=C)),$(N(-S(=O)(=O))),$(N(-C(=O)))])",BMS,7
+thio_xanthate,[S;!R]-[C;!R](=[S;!R])(-[S;!R]),BMS,7
+thiocarbonate,"SC(=O)[O,S]",BMS,7
+thioester,"[S;!R;H0]C(=[S,O;!R])([!O;!S;!N])",BMS,7
+thiol_warhead,NC(C[S;D1])C(O)=O,BMS,7
+thiopyrylium,"c1[S,s;+]cccc1",BMS,7
+thiosulfoxide,"[C,c][S;X3](~O)-S",BMS,7
+triamide,"[$(N(-C(=O))(-C(=O))(-C(=O))),$(n([#6](=O))([#6](=O))([#6](=O)))]",BMS,7
+triaryl_phosphine_oxide,P(=O)(a)(a)(a),BMS,7
+trichloromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(Cl)(Cl)(Cl),BMS,7
+triflate,OS(=O)(=O)(C(F)(F)(F)),BMS,7
+trifluoroacetate_ester,C(F)(F)(F)C(=O)O,BMS,7
+trifluoroacetate_thioester,C(F)(F)(F)C(=O)S,BMS,7
+trifluoromethyl_ketone,[$(C(=O));!$(C-N);!$(C-O);!$(C-S)]C(F)(F)(F),BMS,7
+trihalovinyl_heteroatom,"C(-[Cl,Br,I])(-[Cl,Br,I])=C(-[Cl,Br,I])(-[N,O,S])",BMS,7
+trinitro_aromatic,"[$(a1aaa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])a1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1aa([$(N(=O)(=O)),$([N+](=O)[O-])])a([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])])),$(a1a([$(N(=O)(=O)),$([N+](=O)[O-])])aa([$(N(=O)(=O)),$([N+](=O)[O-])])aa1([$(N(=O)(=O)),$([N+](=O)[O-])]))]",BMS,7
+trinitromethane_derivative,"C([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])([$([N+](=O)[O-]),$(N(=O)=O)])",BMS,7
+tris_activated_aryl_ester,"[$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aaa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])a1),$(O=[C,S]Oc1a([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])aa([$(S(=O)(=O)),F,$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O)O),$(C(=O)N)])1)]",BMS,7
+trisub_bis_act_olefin,"[CH;!R;!$(C-N)]=C([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C(=O))])",BMS,7
+vinyl_carbonyl_EWG,"[C;!R]([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])([$(S(=O)(=O)),$(C(F)(F)(F)),$(C#N),$(N(=O)(=O)),$([N+](=O)[O-]),$(C=O)])=[C;!R]([C;!R](=O))([!$([#8]);!$([#7])])",BMS,7
+ene_six_het_A(483),[#6]-1(-[#6](~[!#6&!#1]~[#6]-[!#6&!#1]-[#6]-1=[!#6&!#1])~[!#6&!#1])=[#6;!R],PAINS,6
+hzone_phenol_A(479),c:1:c:c(:c(:c:c:1)-[#6]=[#7]-[#7])-[O;H1],PAINS,6
+anil_di_alk_A(478),"[C;H2]N([C;H2])c1cc([$([H]),$([C;H2]),$([O][C;H2][C;H2])])c(N)c([H])c1",PAINS,6
+indol_3yl_alk(461),"n:1(c(c(c:2:c:1:c:c:c:c:2-[H])-[C;D4]-[H])-[$([C;H2]),$([C]=,:[!C]),$([C;H1][N]),$([C;H1]([C;H2])[N;H1][C;H2]),$([C;H1]([C;H2])[C;H2][N;H1][C;H2])])-[$([H]),$([C;H2])]",PAINS,6
+quinone_A(370),"[!#6&!#1]=[#6]-1-[#6]=,:[#6]-[#6](=[!#6&!#1])-[#6]=,:[#6]-1",PAINS,6
+azo_A(324),[#7;!R]=[#7],PAINS,6
+imine_one_A(321),"[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]",PAINS,6
+mannich_A(296),[#7]-[C;X4]-c1ccccc1-[O;H1],PAINS,6
+anil_di_alk_B(251),c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6]=[#6],PAINS,6
+anil_di_alk_C(246),"c:1:c:c(:c:c:c:1-[#8]-[#6;X4])-[#7](-[#6;X4])-[$([#1]),$([#6;X4])]",PAINS,6
+ene_rhod_A(235),[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8],PAINS,6
+hzone_phenol_B(215),c:1(:c:c:c(:c:c:1)-[#6]=[#7]-[#7])-[#8]-[#1],PAINS,6
+ene_five_hetA1(201A),"[#6]-1(=[#6])-[#6]=[#7]-[#7,#8,#16]-[#6]-1=[#8]",PAINS,6
+ene_five_het_A(201),[#6]-1(=[#6])-[#6]=[#7]-[!#6&!#1]-[#6]-1=[#8],PAINS,6
+anil_di_alk_D(198),"c:1:c:c(:c:c:c:1-[#7](-[#6;X4])-[#6;X4])-[#6;X4]-[$([#8]-[#1]),$([#6]=[#6]-[#1]),$([#7]-[#6;X4])]",PAINS,6
+imine_one_isatin(189),[#8]=[#6]-2-[#6](=!@[#7]-[#7])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6
+anil_di_alk_E(186),"[#6](-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])-[$([#1]),$([#6]-[#1])])-[#1])-[#1]",PAINS,6
+thiaz_ene_A(128),"[#6]-1(=[#6](-[$([#1]),$([#6](-[#1])-[#1]),$([#6]=[#8])])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6]-[#1]),$([#6]:[#6])])=[#7;!R])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
+pyrrole_A(118),n2(-[#6]:1:[!#1]:[#6]:[#6]:[#6]:[#6]:1)c(cc(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6
+catechol_A(92),c:1:c:c(:c(:c:c:1)-[#8;H1])-[#8;H1],PAINS,6
+ene_five_het_B(90),[#6]-1(=[#6])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6
+imine_one_fives(89),[#6]-1=[!#1]-[!#6&!#1]-[#6](-[#6]-1=[!#6&!#1;!R])=[#8],PAINS,6
+ene_five_het_C(85),[#6]-1(-[#6](-[#6]=[#6]-[!#6&!#1]-1)=[#6])=[!#6&!#1],PAINS,6
+hzone_pipzn(79),"CN1[C;H2][C;H2]N(N=[C;H1][#6]=,:[#6])[C;H2][C;H2]1",PAINS,6
+keto_keto_beta_A(68),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6
+hzone_pyrrol(64),Cn1cccc1C=NN,PAINS,6
+ene_one_ene_A(57),[#6]=!@[#6](-[!#1])-@[#6](=!@[!#6&!#1])-@[#6](=!@[#6])-[!#1],PAINS,6
+cyano_ene_amine_A(56),N#CC=C(N)C(C#N)C#N,PAINS,6
+ene_five_one_A(55),c:1-2:c(:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6])-[#6]-2=[#8],PAINS,6
+cyano_pyridone_A(54),N#Cc1ccc[#7;H1]c1=S,PAINS,6
+anil_alk_ene(51),c:1:c:c-2:c(:c:c:1)-[#6]-3-[#6](-[#6]-[#7]-2)-[#6]-[#6]=[#6]-3,PAINS,6
+amino_acridine_A(46),c:1:c:2:c(:c:c:c:1):n:c:3:c(:c:2-[#7]):c:c:c:c:3,PAINS,6
+ene_five_het_D(46),[#6]-1(=[#6])-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6
+thiophene_amino_Aa(45),[H]N([H])c1sc([!#1])c([!#1])c1C=O,PAINS,6
+ene_five_het_E(44),[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2,PAINS,6
+sulfonamide_A(43),"NS(=O)(=O)c1cc([F,Cl,Br,I])cc([F,Cl,Br,I])c1O",PAINS,6
+thio_ketone(43),[#6]-[#6](=[#16])-[#6],PAINS,6
+sulfonamide_B(41),[H]N(c1ccc([O;H1])cc1)S(=O)=O,PAINS,6
+anil_no_alk(40),"c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[$([#8]),$([#7]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#7](-[#1])-[#1]",PAINS,6
+thiophene_amino_Ab(40),"[$([#1]),$([#6](-[#1])-[#1]),$([#6]:[#6])]-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8])-[$([#6]:1:[#6]:[#6]:[#6]:[#6]:[#6]:1),$([#6]:1:[#16]:[#6]:[#6]:[#6]:1)]",PAINS,6
+het_pyridiniums_A(39),"[H]c1c([$([N]),$([H])])ccc2ccc[n+]([$([O;X1]),$([C;H3]),$([#6][#6]:[#6]),$([#6][#6][#8]),$([#6][#6](C)=[#8]),$([#6][#6](N)=[#8]),$([#6][#6][#6])])c12",PAINS,6
+anthranil_one_A(38),CC(=O)c1ccccc1[#7;H1][!$([#6]=[#8])],PAINS,6
+cyano_imine_A(37),[#7;H1][#7]=[#6](-[#6]#[#7])-[#6]=[!#6&!#1;!R],PAINS,6
+diazox_sulfon_A(36),"[#7](-c:1:c:c:c:c:c:1)-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[#6]:[#6]:[#6]:3:[#7]:[$([#8]),$([#16])]:[#7]:[#6]:2:3",PAINS,6
+hzone_anil_di_alk(35),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]-[$([#6](=[#8])-[#6](-[#1])(-[#1])-[#16]-[#6]:[#7]),$([#6](=[#8])-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[#7]),$([#6](=[#8])-[#6]:[#6]-[#8]-[#1]),$([#6]:[#7]),$([#6](-[#1])(-[#1])-[#6](-[#1])-[#8]-[#1])])-[#1])-[#1]",PAINS,6
+rhod_sat_A(33),[#7]-1-[#6](=[#16])-[#16]-[#6;X4]-[#6]-1=[#8],PAINS,6
+hzone_enamin(30),"[#7][#7]=[#6][#6](-[$([#1]),$([#6])])=[#6]([#6])-!@[$([#7]),$([#8])]",PAINS,6
+pyrrole_B(29),[#6;X4]c1ccc([#6]:[#6])n1c2ccccc2,PAINS,6
+thiophene_hydroxy(28),s1ccc(c1)-[#8;H1],PAINS,6
+cyano_pyridone_B(27),"[!#6][#6]1=,:[#7][#6]([#6])=,:[#6](C#N)[#6](=O)[#7]1",PAINS,6
+imine_one_sixes(27),[#6]-1(-[#6](=[#8])-[#7]-[#6](=[#8])-[#7]-[#6]-1=[#8])=[#7],PAINS,6
+dyes5A(27),"[#6]=,:[#6]:[#7]([#6])~[#6]:[#6]=,:[#6][#6]~[#6]:[#7]",PAINS,6
+naphth_amino_A(25),"c1cc2cccc3[#7][#6]=,:[#7]c(c1)c23",PAINS,6
+naphth_amino_B(25),[C;X4]1[N;H1]c3cccc2cccc([N;H1]1)c23,PAINS,6
+ene_one_ester(24),[#6]-[#8]-[#6](=[#8])-[#6](-[#7][#6])=[#6]-[#6](-[#6])=[#8],PAINS,6
+thio_dibenzo(23),"S=[#6]1[#6]=,:[#6][!#6,!#6][#6]=,:[#6]1",PAINS,6
+cyano_cyano_A(23),"[#6](-[#6]#[#7])(-[#6]#[#7])-[#6](-[$([#6]#[#7]),$([#6]=[#7])])-[#6]#[#7]",PAINS,6
+hzone_acyl_naphthol(22),[H]c2c([H])c([H])c1c([H])c(C(=O)NN=C)c(O)c([H])c1c2[H],PAINS,6
+het_65_A(21),O=Cc1cnn2c([#8;H1])ccnc12,PAINS,6
+imidazole_A(19),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#1])-[#6]:[!#1],PAINS,6
+ene_cyano_A(19),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6]-c:1:c:c:c:c:c:1,PAINS,6
+anthranil_acid_A(19),C=NNc1ccccc1C(=O)[#8;H1],PAINS,6
+dyes3A(19),"[#6]-,:[#6]:[#7+]=,:[#6][#6]=[#6][#7][#6;X4]",PAINS,6
+dhp_bis_amino_CN(19),"[#6]=,:[#6]C1C(C#N)=C(N)SC(N)=C1C#N",PAINS,6
+het_6_tetrazine(18),"[#7]~[#6]:1:[#7]:[#7]:[#6](:[$([#7]),$([#6]-[#1]),$([#6]-[#7]-[#1])]:[$([#7]),$([#6]-[#7])]:1)-[$([#7]-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6
+ene_one_hal(17),"[#6]-[#6]=[#6](-[F,Cl,Br,I])-[#6](=[#8])-[#6]",PAINS,6
+cyano_imine_B(17),N#CC(C#N)=NNc1ccccc1,PAINS,6
+thiaz_ene_B(17),"[#6]NC(=O)-!@[#6]1=,:[#6]([$([N]),$(NC(=O)[#6]:[#6])])[#7]([$([#6;H2]-[#6;H1]=[#6;H2]),$([#6]=,:[#6])])[#6](=S)[#16]1",PAINS,6
+ene_rhod_B(16),"[H]C([$([#6]-[#35]),$([#6]:[#6](-[#1]):[#6](-[F,Cl,Br,I]):[#6]:[#6]-[F,Cl,Br,I]),$([#6]:[#6](-[#1]):[#6](-[#1]):[#6]-[#16]-[#6](-[#1])-[#1]),$([#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-[#8]-[#6;H2]),$([#6]:1:[#6](-[#6;H2]):[#7](-[#6;H2]):[#6](-[#6;H2]):[#6]:1)])=C1SC(=O)[N]C1=O",PAINS,6
+thio_carbonate_A(15),"[#7,#8]c2ccc1oc(=[#8,#16])sc1c2",PAINS,6
+anil_di_alk_furan_A(15),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-c:1:c(:c(:c(:o:1)-[#6]=[#7]-[#7](-[#1])-[#6]=[!#6&!#1])-[#1])-[#1],PAINS,6
+ene_five_het_F(15),O=[#6]2[#6](=!@[#6]c1ccccc1)Sc3ccccc23,PAINS,6
+anil_di_alk_F(14),"c:1:c:c(:c:c:c:1-[#6;X4]-c:2:c:c:c(:c:c:2)-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])])-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])]",PAINS,6
+hzone_anil(14),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#6]=[#7]-[#7]-[#1],PAINS,6
+het_5_pyrazole_OH(14),"c1(nn(c(c1-[$([#1]),$([#6]-[#1])])-[#8]-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6;X4]",PAINS,6
+het_thio_666_A(13),"c:2(:c:1-[#16]-c:3:c(-[#7](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])-[$([#1]),$([#6](-[#1])(-[#1])-[#1]),$([#6](-[#1])(-[#1])-[#6]-[#1])]):c(:c(~[$([#1]),$([#6]:[#6])]):c(:c:3-[#1])-[$([#1]),$([#7](-[#1])-[#1]),$([#8]-[#6;X4])])~[$([#1]),$([#7](-[#1])-[#6;X4]),$([#6]:[#6])])-[#1]",PAINS,6
+styrene_A(13),[#6]-2-[#6]-c:1:c(:c:c:c:c:1)-[#6](-c:3:c:c:c:c:c-2:3)=[#6]-[#6],PAINS,6
+ene_rhod_C(13),"[#16]-1-[#6](=[#7]-[#6]:[#6])-[#7](-[$([#1]),$([#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]),$([#6]:[#6])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[$([#6]:[#6]:[#6]-[#17]),$([#6]:[!#6&!#1])]",PAINS,6
+dhp_amino_CN_A(13),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]=[#6])-[#8]-1)-[#6](-[#1])-[#1],PAINS,6
+cyano_imine_C(12),[#8]=[#16](=[#8])-[#6](-[#6]#[#7])=[#7]-[#7]-[#1],PAINS,6
+thio_urea_A(12),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2,PAINS,6
+thiophene_amino_B(12),"c:1:c(:c:c:c:c:1)-[#7](-[#1])-c:2:c(:c(:c(:s:2)-[$([#6]=[#8]),$([#6]#[#7]),$([#6](-[#8]-[#1])=[#6])])-[#7])-[$([#6]#[#7]),$([#6](:[#7]):[#7])]",PAINS,6
+keto_keto_beta_B(12),[#6;X4]-1-[#6](=[#8])-[#7]-[#7]-[#6]-1=[#8],PAINS,6
+keto_phenone_A(11),c:1:c-3:c(:c:c:c:1)-[#6]:2:[#7]:[!#1]:[#6]:[#6]:[#6]:2-[#6]-3=[#8],PAINS,6
+cyano_pyridone_C(11),[#6]-1(-[#6](=[#6](-[#6]#[#7])-[#6](~[#8])~[#7]~[#6]-1~[#8])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6]:[#6],PAINS,6
+thiaz_ene_C(11),"[#6]-1(=[#6](-!@[#6]=[#7])-[#16]-[#6](-[#7]-1)=[#8])-[$([F,Cl,Br,I]),$([#7+](:[#6]):[#6])]",PAINS,6
+hzone_thiophene_A(11),"c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):[!#6&!#1]:[#6](:[#6]:2-[#6](-[#1])=[#7]-[#7](-[#1])-[$([#6]:1:[#7]:[#6]:[#6](-[#1]):[#16]:1),$([#6]:[#6](-[#1]):[#6]-[#1]),$([#6]:[#7]:[#6]:[#7]:[#6]:[#7]),$([#6]:[#7]:[#7]:[#7]:[#7])])-[$([#1]),$([#8]-[#1]),$([#6](-[#1])-[#1])]",PAINS,6
+ene_quin_methide(10),"[!#1]:[!#1]-[#6](-[$([#1]),$([#6]#[#7])])=[#6]-1-[#6]=:[#6]-[#6](=[$([#8]),$([#7;!R])])-[#6]=:[#6]-1",PAINS,6
+het_thio_676_A(10),"c:1:c:c-2:c(:c:c:1)-[#6]-[#6](-c:3:c(-[#16]-2):c(:c(-[#1]):c(:c:3-[#1])-[$([#1]),$([#8]),$([#16;X2]),$([#6;X4]),$([#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])])])-[#1])-[#7](-[$([#1]),$([#6;X4])])-[$([#1]),$([#6;X4])]",PAINS,6
+ene_five_het_G(10),"[#6]-1(=[#6])-[#6](-[#7,#16,#8][#6](-[!#1])=[#7]-1)=[#8]",PAINS,6
+acyl_het_A(9),[#7+](:[!#1]:[!#1]:[!#1])-[!#1]=[#8],PAINS,6
+anil_di_alk_G(9),[#6;X4]-[#7](-[#6;X4])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6]2=:[#7][#6]:[#6]:[!#1]2)-[#1])-[#1],PAINS,6
+dhp_keto_A(9),"[#7]-1(-[$([#6;X4]),$([#1])])-[#6]=:[#6](-[#6](=[#8])-[#6]:[#6]:[#6])-[#6](-[#6])-[#6](=[#6]-1-[#6](-[#1])(-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6
+thio_urea_B(9),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2,PAINS,6
+anil_alk_bim(9),c:1:3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1]):n:c(-[#1]):n:3-[#6],PAINS,6
+imine_imine_A(9),c:1:c:c-2:c(:c:c:1)-[#7]=[#6]-[#6]-2=[#7;!R],PAINS,6
+thio_urea_C(9),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](=[#8])-[#6]-2:[!#1]:[!#6&!#1]:[#6]:[#6]-2,PAINS,6
+imine_one_fives_B(9),[#7;!R]=[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[#16]-2,PAINS,6
+dhp_amino_CN_B(9),"[$([#7](-[#1])-[#1]),$([#8]-[#1])]-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-c:1:c(:n(-[#6]):n:c:1)-[#8]-2",PAINS,6
+anil_OC_no_alk_A(8),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:n:c:1-[#1])-[#8]-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6
+het_thio_66_one(8),[#6](=[#8])-[#6]-1=[#6]-[#7]-c:2:c(-[#16]-1):c:c:c:c:2,PAINS,6
+styrene_B(8),"c:1:c:c-2:c(:c:c:1)-[#6](-c:3:c(-[$([#16;X2]),$([#6;X4])]-2):c:c:c(:c:3)-[$([#1]),$([#17]),$([#6;X4])])=[#6]-[#6]",PAINS,6
+het_thio_5_A(8),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:c(:c(:n:1-!@[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)-[#1],PAINS,6
+anil_di_alk_ene_A(8),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6](-[#1])-c:1:c(:c:c:c:c:1)-[#16;X2]-c:3:c-2:c:c:c:c:3,PAINS,6
+ene_rhod_D(8),"[#16]-1-[#6](=!@[#7]-[$([#1]),$([#7](-[#1])-[#6]:[#6])])-[#7](-[$([#1]),$([#6]:[#7]:[#6]:[#6]:[#16])])-[#6](=[#8])-[#6]-1=[#6](-[#1])-[#6]:[#6]-[$([#17]),$([#8]-[#6]-[#1])]",PAINS,6
+ene_rhod_E(8),[#16]-1-[#6](=[#8])-[#7]-[#6](=[#16])-[#6]-1=[#6](-[#1])-[#6]:[#6],PAINS,6
+anil_OH_alk_A(8),c:1:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1])-[#1],PAINS,6
+pyrrole_C(8),n1(-[#6;X4])c(c(-[#1])c(c1-[#6]:[#6])-[#1])-[#6](-[#1])-[#1],PAINS,6
+thio_urea_D(8),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2,PAINS,6
+thiaz_ene_D(8),[#7](-c:1:c:c:c:c:c:1)-c2[n+]c(cs2)-c:3:c:c:c:c:c:3,PAINS,6
+ene_rhod_F(8),n:1:c:c:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-2-[#6](=[#8])-[#7]-[#6](=[!#6&!#1])-[#7]-2,PAINS,6
+thiaz_ene_E(8),"[#6]-1(=[#6](-[#6](-[#1])(-[#6])-[#6])-[#16]-[#6](-[#7]-1-[$([#1]),$([#6](-[#1])-[#1])])=[#8])-[#16]-[#6;R]",PAINS,6
+het_65_B(7),[!#1]:1:[!#1]-2:[!#1](:[!#1]:[!#1]:[!#1]:1)-[#7](-[#1])-[#7](-[#6]-2=[#8])-[#6],PAINS,6
+keto_keto_beta_C(7),c:1:c:c-2:c(:c:c:1)-[#6](=[#6](-[#6]-2=[#8])-[#6])-[#8]-[#1],PAINS,6
+het_66_A(7),c:2:c:c:1:n:n:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6]=[#8],PAINS,6
+thio_urea_E(7),c:1:c:c:c:c:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:c:c:2,PAINS,6
+thiophene_amino_C(7),"[#6](-[#1])-[#6](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6]-[#6]-[#6]=[#8])-[$([#6](=[#8])-[#8]),$([#6]#[#7])])-[#6](-[#1])-[#1]",PAINS,6
+hzone_phenone(7),"[#6](-c:1:c(:c(:c(:c:c:1-[#1])-[$([#6;X4]),$([#1])])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[$([#1]),$([#17])])-[#1])-[#1])=[$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1]),$([#7]-[#7](-[#1])-[#6](=[#7]-[#1])-[#7](-[#1])-[#1]),$([#6](-[#1])-[#7])]",PAINS,6
+ene_rhod_G(7),[#8](-[#1])-[#6](=[#8])-c:1:c:c(:c:c:c:1)-[#6]:[!#1]:[#6]-[#6](-[#1])=[#6]-2-[#6](=[!#6&!#1])-[#7]-[#6](=[!#6&!#1])-[!#6&!#1]-2,PAINS,6
+ene_cyano_B(7),[#6]-1(=[#6]-[#6](-c:2:c:c(:c(:n:c-1:2)-[#7](-[#1])-[#1])-[#6]#[#7])=[#6])-[#6]#[#7],PAINS,6
+dhp_amino_CN_C(7),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6](-[#6]:[#6])-[#8]-1)-[#6]#[#7],PAINS,6
+het_5_A(7),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6]=[#8])-[#6;X4]-[#6]-2=[#8],PAINS,6
+ene_five_het_H(6),[#7]-1=[#6]-[#6](-[#6](-[#7]-1)=[#16])=[#6],PAINS,6
+thio_amide_A(6),c1(coc(c1-[#1])-[#6](=[#16])-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[!#1]-[#6](-[#1])(-[#1])-[#6]-2(-[#1])-[#1])-[#1],PAINS,6
+ene_cyano_C(6),[#6]=[#6](-[#6]#[#7])-[#6](=[#7]-[#1])-[#7]-[#7],PAINS,6
+hzone_furan_A(6),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6
+anil_di_alk_H(6),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-[#6]:2:[#6]:[!#1]:[#6]:[#6]:[#6]:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+het_65_C(6),"n2c1ccccn1c(c2-[$([#6](-[!#1])=[#6](-[#1])-[#6]:[#6]),$([#6]:[#8]:[#6])])-[#7]-[#6]:[#6]",PAINS,6
+thio_urea_F(6),[#6]-1-[#7](-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#7]-1-[#1],PAINS,6
+ene_five_het_I(6),c:1(:c:c:c:o:1)-[#6](-[#1])=!@[#6]-3-[#6](=[#8])-c:2:c:c:c:c:c:2-[!#6&!#1]-3,PAINS,6
+keto_keto_gamma(5),[#8]=[#6]-1-[#6;X4]-[#6]-[#6](=[#8])-c:2:c:c:c:c:c-1:2,PAINS,6
+quinone_B(5),c:1:c:c-2:c(:c:c:1)-[#6](-c3cccc4noc-2c34)=[#8],PAINS,6
+het_6_pyridone_OH(5),[#8](-[#1])-c:1:n:c(:c:c:c:1)-[#8]-[#1],PAINS,6
+hzone_naphth_A(5),"c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6]=[#7]-[#7](-[#1])-[$([#6]:[#6]),$([#6]=[#16])])-[#1])-[#1])-[#1])-[#1])-[#1]",PAINS,6
+thio_ester_A(5),[#6]-1=[#6](-[#16]-[#6](-[#6]=[#6]-1)=[#16])-[#7],PAINS,6
+ene_misc_A(5),[#6]-1=[#6]-[#6](-[#8]-[#6]-1-[#8])(-[#8])-[#6],PAINS,6
+cyano_pyridone_D(5),[#8]=[#6]-1-[#6](=[#6]-[#6](=[#7]-[#7]-1)-[#6]=[#8])-[#6]#[#7],PAINS,6
+het_65_Db(5),C3=CN1C(=NC(=C1-[#7]-[#6])-c:2:c:c:c:c:n:2)C=C3,PAINS,6
+het_666_A(5),[#7]N-2-c:1:c:c:c:c:c:1-[#6](=[#7])-c:3:c-2:c:c:c:c:3,PAINS,6
+diazox_sulfon_B(5),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](-[#1])-[#6](-[#1])-[#7](-[#6](-[#1])-[#6]-2-[#1])-[#16](=[#8])(=[#8])-c:3:c:c:c:c:4:n:s:n:c:3:4,PAINS,6
+anil_NH_alk_A(5),c:1(:c(:c-2:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#7]-2-[#1])=[#8])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
+sulfonamide_C(5),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c(:c:c:2)-[!#6&!#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6
+het_thio_N_55(5),[#6](-[#1])-[#6]:2:[#7]:[#7](-c:1:c:c:c:c:c:1):[#16]:3:[!#6&!#1]:[!#1]:[#6]:[#6]:2:3,PAINS,6
+keto_keto_beta_D(5),[#8]=[#6]-[#6]=[#6](-[#1])-[#8]-[#1],PAINS,6
+ene_rhod_H(5),[#7]-1-2-[#6](=[#7]-[#6](=[#8])-[#6](=[#7]-1)-[#6](-[#1])-[#1])-[#16]-[#6](=[#6](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6
+imine_ene_A(5),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7](-[#6;X4])-[#6;X4],PAINS,6
+het_thio_656a(5),c:1:3:c(:c:c:c:c:1):c:2:n:n:c(-[#16]-[#6](-[#1])(-[#1])-[#6]=[#8]):n:c:2:n:3-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1],PAINS,6
+pyrrole_D(5),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#1])-[#1])-[#1],PAINS,6
+pyrrole_E(5),n2(-[#6]:1:[!#1]:[!#6&!#1]:[!#1]:[#6]:1-[#1])c(c(-[#1])c(c2-[#6;X4])-[#1])-[#6;X4],PAINS,6
+thio_urea_G(5),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6]([#7;R])[#7;R],PAINS,6
+anisol_A(5),"c:1(:c(:c(:c(:c(:c:1-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[$([#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]),$([#6](-[#1])(-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#16])-[#7]-[#1])])-[#1])-[#8]-[#6](-[#1])-[#1]",PAINS,6
+pyrrole_F(5),n2(-[#6]:1:[#6](-[#6]#[#7]):[#6]:[#6]:[!#6&!#1]:1)c(c(-[#1])c(c2)-[#1])-[#1],PAINS,6
+dhp_amino_CN_D(5),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-c:1:c(:c:c:s:1)-[#8]-2,PAINS,6
+thiazole_amine_A(4),[#7](-[#1])-c:1:n:c(:c:s:1)-c:2:c:n:c(-[#7](-[#1])-[#1]):s:2,PAINS,6
+het_6_imidate_A(4),[#7]=[#6]-1-[#7](-[#1])-[#6](=[#6](-[#7]-[#1])-[#7]=[#7]-1)-[#7]-[#1],PAINS,6
+anil_OC_no_alk_B(4),c:1:c(:c:2:c(:c:c:1):c:c:c:c:2)-[#8]-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#7]-[#1])-[#1])-[#1],PAINS,6
+styrene_C(4),c:1:c:c-2:c(:c:c:1)-[#6]-[#16]-c3c(-[#6]-2=[#6])ccs3,PAINS,6
+azulene(4),c:2:c:c:c:1:c(:c:c:c:1):c:c:2,PAINS,6
+furan_acid_A(4),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+cyano_pyridone_E(4),[!#1]:[#6]-[#6]-1=[#6](-[#1])-[#6](=[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1-[#1])-[#6]:[#8],PAINS,6
+anil_alk_thio(4),[#6]-1-3=[#6](-[#6](-[#7]-c:2:c:c:c:c:c-1:2)(-[#6])-[#6])-[#16]-[#16]-[#6]-3=[!#1],PAINS,6
+anil_di_alk_I(4),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+het_thio_6_furan(4),[#6](-[#1])(-[#1])-[#16;X2]-c:1:n:n:c(:c(:n:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-c:3:c(:c(:c(:o:3)-[#1])-[#1])-[#1],PAINS,6
+anil_di_alk_ene_B(4),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2=[#6]-c:1:c(:c:c:c:c:1)-[#6]-2(-[#1])-[#1],PAINS,6
+imine_one_B(4),"[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#7](-[#1])-[$([#7]-[#1]),$([#6]:[#6])]",PAINS,6
+anil_OC_alk_A(4),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1]):o:c:3:c(-[#1]):c(:c(-[#8]-[#6](-[#1])-[#1]):c(:c:2:3)-[#1])-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
+ene_five_het_J(4),[#16]=[#6]-1-[#7](-[#1])-[#6]=[#6]-[#6]-2=[#6]-1-[#6](=[#8])-[#8]-[#6]-2=[#6]-[#1],PAINS,6
+pyrrole_G(4),"n2(-c:1:c(:c:c(:c(:c:1)-[#1])-[$([#7](-[#1])-[#1]),$([#6]:[#7])])-[#1])c(c(-[#1])c(c2-[#1])-[#1])-[#1]",PAINS,6
+ene_five_het_K(4),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6]-2-[#6](=[#8])-[!#6&!#1]-[#6]=:[!#1]-2)-[#1])-[#1],PAINS,6
+cyano_ene_amine_B(4),[#6]=[#6]-[#6](-[#6]#[#7])(-[#6]#[#7])-[#6](-[#6]#[#7])=[#6]-[#7](-[#1])-[#1],PAINS,6
+thio_ester_B(4),"[#6]:[#6]-[#6](=[#16;X1])-[#16;X2]-[#6](-[#1])-[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
+ene_five_het_L(4),[#8]=[#6]-3-[#6](=!@[#6](-[#1])-c:1:c:n:c:c:1)-c:2:c:c:c:c:c:2-[#7]-3,PAINS,6
+hzone_thiophene_B(4),"c:1(:c(:c(:c(:s:1)-[#1])-[#1])-[$([#1]),$([#6](-[#1])-[#1])])-[#6](-[#1])=[#7]-[#7](-[#1])-c:2:c:c:c:c:c:2",PAINS,6
+dhp_amino_CN_E(4),[#6](-[#1])(-[#1])-[#16;X2]-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](-[#6]#[#7])-[#6](=[#8])-[#7]-1,PAINS,6
+het_5_B(4),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#7](-[#1])-[#6]=[#8])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
+imine_imine_B(3),[#6]:[#6]-[#6](-[#1])=[#6](-[#1])-[#6](-[#1])=[#7]-[#7]=[#6],PAINS,6
+thiazole_amine_B(3),c:1(:c:c:c(:c:c:1)-[#6](-[#1])-[#1])-c:2:c(:s:c(:n:2)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1],PAINS,6
+imine_ene_one_A(3),[#6]-2(-[#6]=[#7]-c:1:c:c:c:c:c:1-[#7]-2)=[#6](-[#1])-[#6]=[#8],PAINS,6
+diazox_A(3),[#8](-c:1:c:c:c:c:c:1)-c:3:c:c:2:n:o:n:c:2:c:c:3,PAINS,6
+ene_one_A(3),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7]-c:2:c:c:c:3:c(:c:2):c:c:c(:n:3)-[#7](-[#6])-[#6])=[#8],PAINS,6
+anil_OC_no_alk_C(3),[#7](-[#1])(-[#1])-c:1:c(:c:c:c:n:1)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+thiazol_SC_A(3),[#6]-[#16;X2]-c:1:n:c(:c:s:1)-[#1],PAINS,6
+het_666_B(3),c:1:c-3:c(:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2-[#8]-3)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6
+furan_A(3),c:1(:c(:c(:c(:o:1)-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6]#[#6]-[#6;X4],PAINS,6
+colchicine_A(3),[#6]-1(-[#6](=[#6]-[#6]=[#6]-[#6]=[#6]-1)-[#7]-[#1])=[#7]-[#6],PAINS,6
+thiophene_C(3),"[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6]-[#6](=[#8])-c:1:c(-[#16;X2]):s:c(:c:1)-[$([#6]#[#7]),$([#6]=[#8])]",PAINS,6
+anil_OC_alk_B(3),"c:1:3:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[F,Cl,Br,I])-[#6]-2=[#8])-[#7](-[#1])-[#6]:[#6]:[#6]:[#6](-[#8]-[#6](-[#1])-[#1]):[#6]:[#6]:3",PAINS,6
+het_thio_66_A(3),c:1-2:c(:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]=[#6]-2-[#16;X2]-[#6](-[#1])(-[#1])-[#6](=[#8])-c:3:c:c:c:c:c:3,PAINS,6
+rhod_sat_B(3),[#7]-2(-c:1:c:c:c:c:c:1-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6](-[#1])(-[#1])-[!#1]:[!#1]:[!#1]:[!#1]:[!#1])-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
+ene_rhod_I(3),[#7]-2(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](=[#6](-[#1])-c:1:c:c:c:c(:c:1)-[Br])-[#6]-2=[#8],PAINS,6
+keto_thiophene(3),c:1(:c(:c:2:c(:s:1):c:c:c:c:2)-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1],PAINS,6
+imine_imine_C(3),[#7](-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])=[#7]-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#6](-[#1])-[#1])-[#6]:[#6],PAINS,6
+het_65_pyridone_A(3),"[#6]:2(:[#6](-[#6](-[#1])-[#1]):[#6]-1:[#6](-[#7]=[#6](-[#7](-[#6]-1=[!#6&!#1;X1])-[#6](-[#1])-[$([#6](=[#8])-[#8]),$([#6]:[#6])])-[$([#1]),$([#16]-[#6](-[#1])-[#1])]):[!#6&!#1;X2]:2)-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1]",PAINS,6
+thiazole_amine_C(3),"c:1(:n:c(:c(-[#1]):s:1)-[!#1]:[!#1]:[!#1](-[$([#8]-[#6](-[#1])-[#1]),$([#6](-[#1])-[#1])]):[!#1]:[!#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(-[#1]):c(:c(-[#1]):o:2)-[#1]",PAINS,6
+het_thio_pyr_A(3),n:1:c(:c(:c(:c(:c:1-[#16]-[#6]-[#1])-[#6]#[#7])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]:[#6],PAINS,6
+melamine_A(3),"c:1:4:c(:n:c(:n:c:1-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#7](-[#1])-c:3:c:c(:c(:c:c:3-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])])-[$([#1]),$([#6](-[#1])-[#1]),$([#16;X2]),$([#8]-[#6]-[#1]),$([#7;X3])]):c:c:c:c:4",PAINS,6
+anil_NH_alk_B(3),[#7](-[#1])(-[#6]:1:[#6]:[#6]:[!#1]:[#6]:[#6]:1)-c:2:c:c:c(:c:c:2)-[#7](-[#1])-[#6]-[#1],PAINS,6
+rhod_sat_C(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#7]-[#6]=[#8])-[#16]-[#6](-[#1])(-[#1])-[#6]-2=[#8],PAINS,6
+thiophene_amino_D(3),[#6]=[#6]-[#6](=[#8])-[#7]-c:1:c(:c(:c(:s:1)-[#6](=[#8])-[#8])-[#6]-[#1])-[#6]#[#7],PAINS,6
+anil_OC_alk_C(3),"[$([#1]),$([#6](-[#1])-[#1])]-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:n:c:c:n:2",PAINS,6
+het_thio_65_A(3),[#6](-[#1])(-[#1])-[#16;X2]-c3nc1c(n(nc1-[#6](-[#1])-[#1])-c:2:c:c:c:c:c:2)nn3,PAINS,6
+het_thio_656b(3),[#6]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-c:3:n:n:c:2:c:1:c(:c(:c(:c(:c:1:n(:c:2:n:3)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+thiazole_amine_D(3),"s:1:c(:[n+](-[#6](-[#1])-[#1]):c(:c:1-[#1])-[#6])-[#7](-[#1])-c:2:c:c:c:c:c:2[$([#6](-[#1])-[#1]),$([#6]:[#6])]",PAINS,6
+thio_urea_H(3),[#6]-2(=[#16])-[#7](-[#6](-[#1])(-[#1])-c:1:c:c:c:o:1)-[#6](=[#7]-[#7]-2-[#1])-[#6]:[#6],PAINS,6
+cyano_pyridone_F(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-[#6]#[#7])-[#6]#[#7],PAINS,6
+rhod_sat_D(3),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6]-2=[#8],PAINS,6
+ene_rhod_J(3),"[#6](-[#1])(-[#1])-[#7]-2-[#6](=[$([#16]),$([#7])])-[!#6&!#1]-[#6](=[#6]-1-[#6](=[#6](-[#1])-[#6]:[#6]-[#7]-1-[#6](-[#1])-[#1])-[#1])-[#6]-2=[#8]",PAINS,6
+imine_phenol_A(3),[#6]=[#7;!R]-c:1:c:c:c:c:c:1-[#8]-[#1],PAINS,6
+thio_carbonate_B(3),[#8]=[#6]-2-[#16]-c:1:c(:c(:c:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#8]-2,PAINS,6
+het_thio_N_5A(3),[#7]=[#6]-1-[#7]=[#6]-[#7]-[#16]-1,PAINS,6
+het_thio_N_65A(3),[#7]-2-[#16]-[#6]-1=[#6](-[#6]:[#6]-[#7]-[#6]-1)-[#6]-2=[#16],PAINS,6
+anil_di_alk_J(3),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])=[#7]-[#7]=[#6](-[#6])-[#6]:[#6])-[#1])-[#1],PAINS,6
+pyrrole_H(3),n1-2cccc1-[#6]=[#7](-[#6])-[#6]-[#6]-2,PAINS,6
+ene_cyano_D(3),[#6](-[#6]#[#7])(-[#6]#[#7])=[#6](-[#16])-[#16],PAINS,6
+cyano_cyano_B(3),[#6]-1(-[#6]#[#7])(-[#6]#[#7])-[#6](-[#1])(-[#6](=[#8])-[#6])-[#6]-1-[#1],PAINS,6
+ene_five_het_M(3),"[#6]-1=:[#6]-[#6](-[#6](-[$([#8]),$([#16])]-1)=[#6]-[#6]=[#8])=[#8]",PAINS,6
+cyano_ene_amine_C(3),[#6]:[#6]-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](-[#6]#[#7])=[#6](-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
+thio_urea_I(3),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#7]=[#6]-c:2:c:n:c:c:2,PAINS,6
+dhp_amino_CN_F(3),[#7](-[#1])(-[#1])-[#6]-2=[#6](-[#6]#[#7])-[#6](-[#1])(-c:1:c:c:c:s:1)-[#6](=[#6](-[#6](-[#1])-[#1])-[#8]-2)-[#6](=[#8])-[#8]-[#6],PAINS,6
+anthranil_acid_B(3),c:1:c-3:c(:c:c(:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#8]-[#1])-[#6](-[#7](-[#6]-3=[#8])-[#6](-[#1])-[#1])=[#8],PAINS,6
+diazox_B(3),[Cl]-c:2:c:c:1:n:o:n:c:1:c:c:2,PAINS,6
+thio_aldehyd_A(3),[#6]-[#6](=[#16])-[#1],PAINS,6
+thio_amide_B(2),[#6;X4]-[#7](-[#1])-[#6](-[#6]:[#6])=[#6](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6
+imidazole_B(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-c1cn(cn1)-[#1],PAINS,6
+thiazole_amine_E(2),[#8]=[#6]-[#7](-[#1])-c:1:c(-[#6]:[#6]):n:c(-[#6](-[#1])(-[#1])-[#6]#[#7]):s:1,PAINS,6
+thiazole_amine_F(2),[#6](-[#1])-[#7](-[#1])-c:1:n:c(:c:s:1)-c2cnc3n2ccs3,PAINS,6
+thio_ester_C(2),[#7]-1-[#6](=[#8])-[#6](=[#6](-[#6])-[#16]-[#6]-1=[#16])-[#1],PAINS,6
+ene_one_B(2),[#6](-[#16])(-[#7])=[#6](-[#1])-[#6]=[#6](-[#1])-[#6]=[#8],PAINS,6
+quinone_C(2),[#8]=[#6]-3-c:1:c(:c:c:c:c:1)-[#6]-2=[#6](-[#8]-[#1])-[#6](=[#8])-[#7]-c:4:c-2:c-3:c:c:c:4,PAINS,6
+keto_naphthol_A(2),"c:1:2:c:c:c:c(:c:1:c(:c:c:c:2)-[$([#8]-[#1]),$([#7](-[#1])-[#1])])-[#6](-[#6])=[#8]",PAINS,6
+thio_amide_C(2),[#6](-[#1])(-c:1:c:c:c:c:c:1)(-c:2:c:c:c:c:c:2)-[#6](=[#16])-[#7]-[#1],PAINS,6
+phthalimide_misc(2),[#7]-2(-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1])-[#6]-2=[#8])-c:3:c(:c:c(:c(:c:3)-[#1])-[#8])-[#1],PAINS,6
+sulfonamide_D(2),c:1:c:c(:c:c:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#7](-[#1])-[#16](=[#8])=[#8],PAINS,6
+anil_NH_alk_C(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]-[#1],PAINS,6
+het_65_E(2),s1c(c(c-2c1-[#7](-[#1])-[#6](-[#6](=[#6]-2-[#1])-[#6](=[#8])-[#8]-[#1])=[#8])-[#7](-[#1])-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6
+hzide_naphth(2),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#7](-[#1])-[#6]=[#8])-[#1])-[#1])-[#1],PAINS,6
+anisol_B(2),[#6](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6;X4])-[#1],PAINS,6
+thio_carbam_ene(2),[#6]-1=[#6]-[#7]-[#6](-[#16]-[#6;X4]-1)=[#16],PAINS,6
+thio_amide_D(2),[#6](-[#7](-[#6]-[#1])-[#6]-[#1]):[#6]-[#7](-[#1])-[#6](=[#16])-[#6]-[#1],PAINS,6
+het_65_Da(2),n2nc(c1cccc1c2-[#6])-[#6],PAINS,6
+thiophene_D(2),s:1:c(:c(-[#1]):c(:c:1-[#6](=[#8])-[#7](-[#1])-[#7]-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6
+het_thio_6_ene(2),[#6]-1:[#6]-[#7]=[#6]-[#6](=[#6]-[#7]-[#6])-[#16]-1,PAINS,6
+cyano_keto_A(2),[#6](-[#1])(-[#1])-[#6](-[#1])(-[#6]#[#7])-[#6](=[#8])-[#6],PAINS,6
+anthranil_acid_C(2),"c2(c(-[#7](-[#1])-[#1])n(-c:1:c:c:c:c:c:1-[#6](=[#8])-[#8]-[#1])nc2-[#6]=[#8])-[$([#6]#[#7]),$([#6]=[#16])]",PAINS,6
+naphth_amino_C(2),c:2:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#7](-[#7]=[#6]-3)-[#1],PAINS,6
+naphth_amino_D(2),c:2:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#7]-[#7]=[#7]-3,PAINS,6
+thiazole_amine_G(2),c1csc(n1)-[#7]-[#7]-[#16](=[#8])=[#8],PAINS,6
+het_66_B(2),c:1:c:c:c:2:c(:c:1):n:c(:n:c:2)-[#7](-[#1])-[#6]-3=[#7]-[#6](-[#6]=[#6]-[#7]-3-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+coumarin_A(2),c:1-3:c(:c(:c(:c(:c:1)-[#8]-[#6]-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-3,PAINS,6
+anthranil_acid_D(2),c:12:c(:c:c:c:n:1)c(c(-[#6](=[#8])~[#8;X1])s2)-[#7](-[#1])-[#1],PAINS,6
+het_66_C(2),c:1:2:n:c(:c(:n:c:1:[#6]:[#6]:[#6]:[!#1]:2)-[#6](-[#1])=[#6](-[#8]-[#1])-[#6])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6],PAINS,6
+thiophene_amino_E(2),c1csc(c1-[#7](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-c2cccs2,PAINS,6
+het_6666_A(2),c:2:c:c:1:n:c:3:c(:n:c:1:c:c:2):c:c:c:4:c:3:c:c:c:c:4,PAINS,6
+sulfonamide_E(2),[#6]:[#6]-[#7](-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6
+anil_di_alk_K(2),c:1:c:c(:c:c:c:1-[#7](-[#1])-[#1])-[#7](-[#6;X3])-[#6;X3],PAINS,6
+het_5_C(2),"[#7]-2=[#6](-c:1:c:c:c:c:c:1)-[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])(-[#6](-[#9])(-[#9])-[#9])-[#7]-2-[$([#6]:[#6]:[#6]:[#6]:[#6]:[#6]),$([#6](=[#16])-[#6]:[#6]:[#6]:[#6]:[#6]:[#6])]",PAINS,6
+ene_six_het_B(2),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#6](-[#1])=[#6]-3-[#6](=[#8])-[#7](-[#1])-[#6](=[#8])-[#6](=[#6](-[#1])-c:2:c:c:c:c:c:2)-[#7]-3-[#1],PAINS,6
+steroid_A(2),[#8]=[#6]-4-[#6]-[#6]-[#6]-3-[#6]-2-[#6](=[#8])-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1-[#6]-2-[#6]-[#6]-[#6]-3=[#6]-4,PAINS,6
+het_565_A(2),c:1:2:c:3:c(:c(-[#8]-[#1]):c(:c:1:c(:c:n:2-[#6])-[#6]=[#8])-[#1]):n:c:n:3,PAINS,6
+thio_imine_ium(2),[#6;X4]-[#7+](-[#6;X4]-[#8]-[#1])=[#6]-[#16]-[#6]-[#1],PAINS,6
+anthranil_acid_E(2),[#6]-3(=[#8])-[#6](=[#6](-[#1])-[#7](-[#1])-c:1:c:c:c:c:c:1-[#6](=[#8])-[#8]-[#1])-[#7]=[#6](-c:2:c:c:c:c:c:2)-[#8]-3,PAINS,6
+hzone_furan_B(2),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])=[#7]-[#7](-[#1])-c:2:c:c:n:c:c:2",PAINS,6
+thiophene_E(2),"c:1(:c(:c(:c(:s:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](-[$([#1]),$([#6](-[#1])-[#1])])-[#6](=[#8])-[#7](-[#1])-c:2:n:c:c:s:2",PAINS,6
+ene_misc_B(2),[#6]:[#6]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#6]=[#8])-[#7]-2-[#6](=[#8])-[#6]-1(-[#1])-[#6](-[#1])(-[#1])-[#6]=[#6]-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#6]-2=[#8],PAINS,6
+het_thio_5_B(2),[#6]-1(-[#6]=[#8])(-[#6]:[#6])-[#16;X2]-[#6]=[#7]-[#7]-1-[#1],PAINS,6
+thiophene_amino_F(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-c:2:c:c:c:c:c:2)-[#6]#[#7])-[#6]:3:[!#1]:[!#1]:[!#1]:[!#1]:[!#1]:3,PAINS,6
+anil_OC_alk_D(2),"[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2-[$([#6](-[#1])-[#1]),$([#8]-[#6](-[#1])-[#1])]",PAINS,6
+tert_butyl_A(2),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c:c(:c(:c:1-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])-[#7])-[#1],PAINS,6
+thio_urea_J(2),c:1(:c(:o:c:c:1)-[#6]-[#1])-[#6]=[#7]-[#7](-[#1])-[#6](=[#16])-[#7]-[#1],PAINS,6
+het_thio_65_B(2),[#7](-[#1])-c1nc(nc2nnc(n12)-[#16]-[#6])-[#7](-[#1])-[#6],PAINS,6
+coumarin_B(2),c:1-2:c(:c:c:c:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])=[#6](-[#1])-[#1])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#6]:[#6])-[#6](=[#8])-[#8]-2)-[#1],PAINS,6
+thio_urea_K(2),[#6]-2(=[#16])-[#7]-1-[#6]:[#6]-[#7]=[#7]-[#6]-1=[#7]-[#7]-2-[#1],PAINS,6
+thiophene_amino_G(2),[#6]:[#6]:[#6]:[#6]:[#6]:[#6]-c:1:c:c(:c(:s:1)-[#7](-[#1])-[#6](=[#8])-[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6
+anil_NH_alk_D(2),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c:c:1-[#7](-[#1])-[#6](-[#1])(-[#6])-[#6](-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+het_thio_5_C(2),[#16]=[#6]-2-[#7](-[#1])-[#7]=[#6](-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#8]-2,PAINS,6
+thio_keto_het(2),[#16]=[#6]-c:1:c:c:c:2:c:c:c:c:n:1:2,PAINS,6
+het_thio_N_5B(2),[#6]~1~[#6](~[#7]~[#7]~[#6](~[#6](-[#1])-[#1])~[#6](-[#1])-[#1])~[#7]~[#16]~[#6]~1,PAINS,6
+quinone_D(2),[#6]-1(-[#6]=:[#6]-[#6]=:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1],PAINS,6
+anil_di_alk_furan_B(2),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:1:c(-[#1]):c(:c(:o:1)-[#6](-[#1])=[#6]-[#6]#[#7])-[#1],PAINS,6
+ene_six_het_C(2),[#8]=[#6]-1-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7]-[#6]-1=[#6]-[#1],PAINS,6
+het_55_A(2),[#6]:[#6]-[#7]:2:[#7]:[#6]:1-[#6](-[#1])(-[#1])-[#16;X2]-[#6](-[#1])(-[#1])-[#6]:1-[#6]:2-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])=[#6]-[#1],PAINS,6
+het_thio_65_C(2),n:1:c(:n(:c:2:c:1:c:c:c:c:2)-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-[#6](-[#1])=[#6]-[#1],PAINS,6
+hydroquin_A(2),c:1(:c:c(:c(:c:c:1)-[#8]-[#1])-[#6](=!@[#6]-[#7])-[#6]=[#8])-[#8]-[#1],PAINS,6
+anthranil_acid_F(2),c:1(:c:c(:c(:c:c:1)-[#7](-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1])-[#8]-[#1],PAINS,6
+pyrrole_I(2),n2(-[#6](-[#1])-[#1])c-1c(-[#6]:[#6]-[#6]-1=[#8])cc2-[#6](-[#1])-[#1],PAINS,6
+thiophene_amino_H(2),[#6](-[#1])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6],PAINS,6
+imine_one_fives_C(2),[#6]:[#6]-[#7;!R]=[#6]-2-[#6](=[!#6&!#1])-c:1:c:c:c:c:c:1-[#7]-2,PAINS,6
+keto_phenone_zone_A(2),c:1:c:c:c:c:c:1-[#6](=[#8])-[#7](-[#1])-[#7]=[#6]-3-c:2:c:c:c:c:c:2-c:4:c:c:c:c:c-3:4,PAINS,6
+dyes7A(2),c:1:c(:c:c:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=!@[#6](-[#1])-[#6](-[#1])=[#6]-[#6]=@[#7]-c:2:c:c:c:c:c:2,PAINS,6
+het_pyridiniums_B(2),[#6]:1:2:[!#1]:[#7+](:[!#1]:[#6](:[!#1]:1:[#6]:[#6]:[#6]:[#6]:2)-[*])~[#6]:[#6],PAINS,6
+het_5_D(2),[#7]-2(-c:1:c:c:c:c:c:1)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#16]-[#6])-[#6]-2=[#8],PAINS,6
+thiazole_amine_H(1),c:1:c:c:c(:c:c:1-[#7](-[#1])-c2nc(c(-[#1])s2)-c:3:c:c:c(:c:c:3)-[#6](-[#1])(-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+thiazole_amine_I(1),[#6](-[#1])(-[#1])-[#7](-[#1])-[#6]=[#7]-[#7](-[#1])-c1nc(c(-[#1])s1)-[#6]:[#6],PAINS,6
+het_thio_N_5C(1),[#6]:[#6]-[#7](-[#1])-[#6](=[#8])-c1c(snn1)-[#7](-[#1])-[#6]:[#6],PAINS,6
+sulfonamide_F(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6
+thiazole_amine_J(1),[#8]=[#16](=[#8])(-[#6]:[#6])-[#7](-[#1])-[#7](-[#1])-c1nc(cs1)-[#6]:[#6],PAINS,6
+het_65_F(1),s2c:1:n:c:n:c(:c:1c(c2-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7]-[#7]=[#6]-c3ccco3,PAINS,6
+keto_keto_beta_E(1),[#6](=[#8])-[#6](-[#1])=[#6](-[#8]-[#1])-[#6](-[#8]-[#1])=[#6](-[#1])-[#6](=[#8])-[#6],PAINS,6
+ene_five_one_B(1),c:2(:c:1-[#6](-[#6](-[#6](-c:1:c(:c(:c:2-[#1])-[#1])-[#1])(-[#1])-[#1])=[#8])=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6
+keto_keto_beta_zone(1),[#6]:[#6]-[#7](-[#1])-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6]:[#6],PAINS,6
+thio_urea_L(1),[#6;X4]-[#16;X2]-[#6](=[#7]-[!#1]:[!#1]:[!#1]:[!#1])-[#7](-[#1])-[#7]=[#6],PAINS,6
+het_thio_urea_ene(1),[#6]-1(=[#7]-[#7](-[#6](-[#16]-1)=[#6](-[#1])-[#6]:[#6])-[#6]:[#6])-[#6]=[#8],PAINS,6
+cyano_amino_het_A(1),c:1(:c(:c:2:c(:n:c:1-[#7](-[#1])-[#1]):c:c:c(:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-[#6]#[#7])-[#6]#[#7],PAINS,6
+tetrazole_hzide(1),[!#1]:1:[!#1]:[!#1]:[!#1](:[!#1]:[!#1]:1)-[#6](-[#1])=[#6](-[#1])-[#6](-[#7](-[#1])-[#7](-[#1])-c2nnnn2-[#6])=[#8],PAINS,6
+imine_naphthol_A(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#7]-[#6]:[#6])-[#6](-[#1])-[#1])-[#8]-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+misc_anisole_A(1),c:1(:c(:c:2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1]):c(:c(:c(:c:2-[#7](-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-c:3:c(:c(:c(:c(:c:3-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
+het_thio_665(1),c:1:c:c-2:c(:c:c:1)-[#16]-c3c(-[#7]-2)cc(s3)-[#6](-[#1])-[#1],PAINS,6
+anil_di_alk_L(1),c:1:c:c:c-2:c(:c:1)-[#6](-[#6](-[#7]-2-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-4-[#6](-c:3:c:c:c:c:c:3-[#6]-4=[#8])=[#8])(-[#1])-[#1])(-[#1])-[#1],PAINS,6
+colchicine_B(1),c:1(:c:c:c(:c:c:1)-[#6]-3=[#6]-[#6](-c2cocc2-[#6](=[#6]-3)-[#8]-[#1])=[#8])-[#16]-[#6](-[#1])-[#1],PAINS,6
+misc_aminoacid_A(1),[#6;X4]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#16]-[#6](-[#1])(-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6
+imidazole_amino_A(1),n:1:c(:n(:c(:c:1-c:2:c:c:c:c:c:2)-c:3:c:c:c:c:c:3)-[#7]=!@[#6])-[#7](-[#1])-[#1],PAINS,6
+phenol_sulfite_A(1),[#6](-c:1:c:c:c(:c:c:1)-[#8]-[#1])(-c:2:c:c:c(:c:c:2)-[#8]-[#1])-[#8]-[#16](=[#8])=[#8],PAINS,6
+het_66_D(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#6]:[#6],PAINS,6
+misc_anisole_B(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c(-[#6](-[#1])-[#1])c:c:2,PAINS,6
+tetrazole_A(1),[#6](-[#1])(-[#1])-c1nnnn1-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6
+het_65_G(1),[#6]-2(=[#7]-c1c(c(nn1-[#6](-[#6]-2(-[#1])-[#1])=[#8])-[#7](-[#1])-[#1])-[#7](-[#1])-[#1])-[#6],PAINS,6
+misc_trityl_A(1),[#6](-[#6]:[#6])(-[#6]:[#6])(-[#6]:[#6])-[#16]-[#6]:[#6]-[#6](=[#8])-[#8]-[#1],PAINS,6
+misc_pyridine_OC(1),[#8]=[#6](-c:1:c(:c(:n:c(:c:1-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+het_6_hydropyridone(1),[#7]-1=[#6](-[#7](-[#6](-[#6](-[#6]-1(-[#1])-[#6]:[#6])(-[#1])-[#1])=[#8])-[#1])-[#7]-[#1],PAINS,6
+misc_stilbene(1),[#6]-1(=[#6](-[#6](-[#6](-[#6](-[#6]-1(-[#1])-[#1])(-[#1])-[#6](=[#8])-[#6])(-[#1])-[#6](=[#8])-[#8]-[#1])(-[#1])-[#1])-[#6]:[#6])-[#6]:[#6],PAINS,6
+misc_imidazole(1),[#6](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[Cl])-[#1])-[#1])(-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[Cl])-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c3nc(c(n3-[#6](-[#1])(-[#1])-[#1])-[#1])-[#1],PAINS,6
+anil_NH_no_alk_A(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
+het_6_imidate_B(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#8]-[#1])-[#6]-2=[#6](-[#8]-[#6](-[#7]=[#7]-2)=[#7])-[#7](-[#1])-[#1],PAINS,6
+anil_alk_B(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
+styrene_anil_A(1),c:1:c:c-3:c(:c:c:1)-c:2:c:c:c(:c:c:2-[#6]-3=[#6](-[#1])-[#6])-[#7](-[#1])-[#1],PAINS,6
+misc_aminal_acid(1),c:1:c:c-2:c(:c:c:1)-[#7](-[#6](-[#8]-[#6]-2)(-[#6](=[#8])-[#8]-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](-[#1])-[#1],PAINS,6
+anil_no_alk_D(1),n:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
+anil_alk_C(1),[#7](-[#1])(-c:1:c:c:c:c:c:1)-[#6](-[#6])(-[#6])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
+misc_anisole_C(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#1])-[#8]-[#6]-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])(-[#1])-[#1])-[#6]:[#6],PAINS,6
+het_465_misc(1),c:1-2:c:c-3:c(:c:c:1-[#8]-[#6]-[#8]-2)-[#6]-[#6]-3,PAINS,6
+anthranil_acid_G(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#7](-[#1])-[#6]:[#6],PAINS,6
+anil_di_alk_M(1),c:1(:c:4:c(:n:c(:c:1-[#6](-[#1])(-[#1])-[#7]-3-c:2:c(:c(:c(:c(:c:2-[#6](-[#1])(-[#1])-[#6]-3(-[#1])-[#1])-[#1])-[#1])-[#1])-[#1])-[#1]):c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+anthranil_acid_H(1),c:1:c(:c2:c(:c:c:1)c(c(n2-[#1])-[#6]:[#6])-[#6]:[#6])-[#6](=[#8])-[#8]-[#1],PAINS,6
+thio_urea_M(1),"[#6]:[#6]-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:1:c(:c(:c(:c(:c:1-[F,Cl,Br,I])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1]",PAINS,6
+thiazole_amine_K(1),n:1:c3:c(:c:c2:c:1nc(s2)-[#7])sc(n3)-[#7],PAINS,6
+het_thio_5_imine_A(1),[#7]=[#6]-1-[#16]-[#6](=[#7])-[#7]=[#6]-1,PAINS,6
+thio_amide_E(1),c:1:c(:n:c:c:c:1)-[#6](=[#16])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6
+het_thio_676_B(1),c:1-2:c(:c(:c(:c(:c:1-[#6](-c:3:c(-[#16]-[#6]-2(-[#1])-[#1]):c(:c(-[#1]):c(:c:3-[#1])-[#1])-[#1])-[#8]-[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6
+sulfonamide_G(1),[#6](-[#1])(-[#1])(-[#1])-c:1:c(:c(:c(:c(:n:1)-[#7](-[#1])-[#16](-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])(=[#8])=[#8])-[#1])-[#1])-[#1],PAINS,6
+thio_thiomorph_Z(1),[#6](=[#8])(-[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1)-c:2:c(:c(:c(:c(:c:2-[#16]-[#6](-[#1])-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+naphth_ene_one_A(1),c:1:c:c:3:c:2:c(:c:1)-[#6](-[#6]=[#6](-c:2:c:c:c:3)-[#8]-[#6](-[#1])-[#1])=[#8],PAINS,6
+naphth_ene_one_B(1),c:1-3:c:2:c(:c(:c:c:1)-[#7]):c:c:c:c:2-[#6](-[#6]=[#6]-3-[#6](-[F])(-[F])-[F])=[#8],PAINS,6
+amino_acridine_A(1),c:1:c:c:c:c:2:c:1:c:c:3:c(:n:2):n:c:4:c(:c:3-[#7]):c:c:c:c:4,PAINS,6
+keto_phenone_B(1),c:1:c-3:c(:c:c:c:1)-[#6]-2=[#7]-[!#1]=[#6]-[#6]-[#6]-2-[#6]-3=[#8],PAINS,6
+hzone_acid_A(1),c:1-3:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#7]-[#7](-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#6](=[#8])-[#8]-[#1])-[#1])-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#1],PAINS,6
+sulfonamide_H(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1])-[#1])-[#16](=[#8])(=[#8])-[#7](-[#1])-c:2:n:n:c(:c(:c:2-[#1])-[#1])-[#1],PAINS,6
+het_565_indole(1),c2(c(-[#1])n(-[#6](-[#1])-[#1])c:3:c(:c(:c:1n(c(c(c:1:c2:3)-[#1])-[#1])-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1],PAINS,6
+pyrrole_J(1),c1(c-2c(c(n1-[#6](-[#8])=[#8])-[#6](-[#1])-[#1])-[#16]-[#6](-[#1])(-[#1])-[#16]-2)-[#6](-[#1])-[#1],PAINS,6
+pyrazole_amino_B(1),s1ccnc1-c2c(n(nc2-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
+pyrrole_K(1),c1(c(c(c(n1-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+anthranil_acid_I(1),c:1:2(:c(:c(:c(:o:1)-[#6])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6](-[#1]):[#6]:2-[#6](=[#8])-[#8]-[#1],PAINS,6
+thio_amide_F(1),[!#1]:[#6]-[#6](=[#16])-[#7](-[#1])-[#7](-[#1])-[#6]:[!#1],PAINS,6
+ene_one_C(1),[#6]-1(=[#8])-[#6](-[#6](-[#6]#[#7])=[#6](-[#1])-[#7])-[#6](-[#7])-[#6]=[#6]-1,PAINS,6
+het_65_H(1),c2(c-1n(-[#6](-[#6]=[#6]-[#7]-1)=[#8])nc2-c3cccn3)-[#6]#[#7],PAINS,6
+cyano_imine_D(1),[#8]=[#6]-1-[#6](=[#7]-[#7]-[#6]-[#6]-1)-[#6]#[#7],PAINS,6
+cyano_misc_A(1),c:2(:c:1:c:c:c:c:c:1:n:n:c:2)-[#6](-[#6]:[#6])-[#6]#[#7],PAINS,6
+ene_misc_C(1),c:1:c:c-2:c(:c:c:1)-[#6]=[#6]-[#6](-[#7]-2-[#6](=[#8])-[#7](-[#1])-c:3:c:c(:c(:c:c:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+het_66_E(1),c:2:c:c:1:n:c(:c(:n:c:1:c:c:2)-c:3:c:c:c:c:c:3)-c:4:c:c:c:c:c:4-[#8]-[#1],PAINS,6
+keto_keto_beta_F(1),[#6](-[#1])(-[#1])-[#6](-[#8]-[#1])=[#6](-[#6](=[#8])-[#6](-[#1])-[#1])-[#6](-[#1])-[#6]#[#6],PAINS,6
+misc_naphthimidazole(1),c:1:c:4:c(:c:c2:c:1nc(n2-[#1])-[#6]-[#8]-[#6](=[#8])-c:3:c:c(:c:c(:c:3)-[#7](-[#1])-[#1])-[#7](-[#1])-[#1]):c:c:c:c:4,PAINS,6
+naphth_ene_one_C(1),c:2(:c:1:c:c:c:c-3:c:1:c(:c:c:2)-[#6]=[#6]-[#6]-3=[#7])-[#7],PAINS,6
+keto_phenone_C(1),c:2(:c:1:c:c:c:c:c:1:c-3:c(:c:2)-[#6](-c:4:c:c:c:c:c-3:4)=[#8])-[#8]-[#1],PAINS,6
+coumarin_C(1),[#6]-2(-[#6]=[#7]-c:1:c:c(:c:c:c:1-[#8]-2)-[Cl])=[#8],PAINS,6
+thio_est_cyano_A(1),[#6]-1=[#6]-[#7](-[#6](-c:2:c-1:c:c:c:c:2)(-[#6]#[#7])-[#6](=[#16])-[#16])-[#6]=[#8],PAINS,6
+het_65_imidazole(1),c2(nc:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])n2-[#6])-[#7](-[#1])-[#6](-[#7](-[#1])-c:3:c(:c:c:c:c:3-[#1])-[#1])=[#8],PAINS,6
+anthranil_acid_J(1),[#7](-[#1])(-[#6]:[#6])-c:1:c(-[#6](=[#8])-[#8]-[#1]):c:c:c(:n:1)-[#6]:[#6],PAINS,6
+colchicine_het(1),c:1-3:c(:c:c:c:c:1)-[#16]-[#6](=[#7]-[#7]=[#6]-2-[#6]=[#6]-[#6]=[#6]-[#6]=[#6]-2)-[#7]-3-[#6](-[#1])-[#1],PAINS,6
+ene_misc_D(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](=[#6](-[#6])-[#16]-[#6]-2(-[#1])-[#1])-[#6],PAINS,6
+indole_3yl_alk_B(1),c:12:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#6]:[#6])n2-!@[#6]:[#6])-[#6](-[#1])-[#1],PAINS,6
+anil_OH_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c:c:c(:c:c:1-[#8]-[#1])-[#16](=[#8])(=[#8])-[#8]-[#1],PAINS,6
+thiazole_amine_L(1),s:1:c:c:c(:c:1-[#1])-c:2:c:s:c(:n:2)-[#7](-[#1])-[#1],PAINS,6
+pyrazole_amino_A(1),c1c(-[#7](-[#1])-[#1])nnc1-c2c(-[#6](-[#1])-[#1])oc(c2-[#1])-[#1],PAINS,6
+het_thio_N_5D(1),n1nscc1-c2nc(no2)-[#6]:[#6],PAINS,6
+anil_alk_indane(1),c:1(:c:c-3:c(:c:c:1)-[#7]-[#6]-4-c:2:c:c:c:c:c:2-[#6]-[#6]-3-4)-[#6;X4],PAINS,6
+anil_di_alk_N(1),c:1-2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#6]-3-[#6](-[#6]#[#7])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#7]-2-3)-[#1],PAINS,6
+het_666_C(1),c:2-3:c(:c:c:1:c:c:c:c:c:1:c:2)-[#7](-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#7]-3)-[#6]:[#6]-[#7](-[#1])-[#6](-[#1])-[#1],PAINS,6
+ene_one_D(1),[#6](-[#8]-[#1]):[#6]-[#6](=[#8])-[#6](-[#1])=[#6](-[#6])-[#6],PAINS,6
+anil_di_alk_indol(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#1])-[#16](=[#8])=[#8],PAINS,6
+anil_no_alk_indol_A(1),c:1:2:c(:c(:c(:c(:c:1-[#1])-[#1])-[#7](-[#1])-[#1])-[#1]):c(:c(-[#1]):n:2-[#6](-[#1])-[#1])-[#1],PAINS,6
+dhp_amino_CN_G(1),"[#16;X2]-1-[#6]=[#6](-[#6]#[#7])-[#6](-[#6])(-[#6]=[#8])-[#6](=[#6]-1-[#7](-[#1])-[#1])-[$([#6]=[#8]),$([#6]#[#7])]",PAINS,6
+anil_di_alk_dhp(1),[#7]-2-[#6]=[#6](-[#6]=[#8])-[#6](-c:1:c:c:c(:c:c:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6]~3=[#6]-2~[#7]~[#6](~[#16])~[#7]~[#6]~3~[#7],PAINS,6
+anthranil_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](=[#8])-[#7](-[#1])-c:2:c(:c:c:c:c:2)-[#6](=[#8])-[#7](-[#1])-[#7](-[#1])-c:3:n:c:c:s:3,PAINS,6
+hzone_anthran_Z(1),c:1:c:2:c(:c:c:c:1):c(:c:3:c(:c:2):c:c:c:c:3)-[#6]=[#7]-[#7](-[#1])-c:4:c:c:c:c:c:4,PAINS,6
+ene_one_amide_A(1),c:1:c(:c:c:c:c:1)-[#6](-[#1])-[#7]-[#6](=[#8])-[#6](-[#7](-[#1])-[#6](-[#1])-[#1])=[#6](-[#1])-[#6](=[#8])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])-[#1],PAINS,6
+het_76_A(1),s:1:c(:c(-[#1]):c(:c:1-[#6]-3=[#7]-c:2:c:c:c:c:c:2-[#6](=[#7]-[#7]-3-[#1])-c:4:c:c:n:c:c:4)-[#1])-[#1],PAINS,6
+thio_urea_N(1),o:1:c(:c(-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#7](-[#1])-[#6](=[#16])-[#7](-[#6]-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#1],PAINS,6
+anil_di_alk_coum(1),c:1:c(:c:c:c:c:1)-[#7](-[#6]-[#1])-[#6](-[#1])-[#6](-[#1])-[#6](-[#1])-[#7](-[#1])-[#6](=[#8])-[#6]-2=[#6](-[#8]-[#6](-[#6](=[#6]-2-[#6](-[#1])-[#1])-[#1])=[#8])-[#6](-[#1])-[#1],PAINS,6
+ene_one_amide_B(1),c2-3:c:c:c:1:c:c:c:c:c:1:c2-[#6](-[#1])-[#6;X4]-[#7]-[#6]-3=[#6](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+het_thio_656c(1),c:1:c(:c:c:c:c:1)-[#6]-4=[#7]-[#7]:2:[#6](:[#7+]:c:3:c:2:c:c:c:c:3)-[#16]-[#6;X4]-4,PAINS,6
+het_5_ene(1),[#6]-2(=[#8])-[#6](=[#6](-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#7]=[#6](-c:1:c:c:c:c:c:1)-[#8]-2,PAINS,6
+thio_imide_A(1),c:1:c(:c:c:c:c:1)-[#7]-2-[#6](=[#8])-[#6](=[#6](-[#1])-[#6]-2=[#8])-[#16]-c:3:c:c:c:c:c:3,PAINS,6
+dhp_amidine_A(1),[#7]-1(-[#1])-[#7]=[#6](-[#7]-[#1])-[#16]-[#6](=[#6]-1-[#6]:[#6])-[#6]:[#6],PAINS,6
+thio_urea_O(1),c:1(:c(:c-3:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])-c:2:c(:c(:c(:o:2)-[#6]-[#1])-[#1])-[#1])-[#1])-[#8]-[#6](-[#8]-3)(-[#1])-[#1])-[#1])-[#1],PAINS,6
+anil_di_alk_O(1),c:1(:c(:c(:c(:c(:c:1-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-c:2:c:c:c:c:c:2)-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+thio_urea_P(1),[#8]=[#6]-!@n:1:c:c:c-2:c:1-[#7](-[#1])-[#6](=[#16])-[#7]-2-[#1],PAINS,6
+het_pyraz_misc(1),[#6](-[F])(-[F])-[#6](=[#8])-[#7](-[#1])-c:1:c(-[#1]):n(-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6](-[#1])(-[#1])-[#6]:[#6]):n:c:1-[#1],PAINS,6
+diazox_C(1),[#7]-2=[#7]-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#7]=[#7]-[#6]:[#6]-2,PAINS,6
+diazox_D(1),[#6]-2(-[#1])(-[#8]-[#1])-[#6]:1:[#7]:[!#6&!#1]:[#7]:[#6]:1-[#6](-[#1])(-[#8]-[#1])-[#6]=[#6]-2,PAINS,6
+misc_cyclopropane(1),[#6]-1(-[#6](-[#1])(-[#1])-[#6]-1(-[#1])-[#1])(-[#6](=[#8])-[#7](-[#1])-c:2:c:c:c(:c:c:2)-[#8]-[#6](-[#1])(-[#1])-[#8])-[#16](=[#8])(=[#8])-[#6]:[#6],PAINS,6
+imine_ene_one_B(1),[#6]-1:[#6]-[#6](=[#8])-[#6]=[#6]-1-[#7]=[#6](-[#1])-[#7](-[#6;X4])-[#6;X4],PAINS,6
+coumarin_D(1),c:1:c:c(:c:c-2:c:1-[#6](=[#6](-[#1])-[#6](=[#8])-[#8]-2)-c:3:c:c:c:c:c:3)-[#8]-[#6](-[#1])(-[#1])-[#6]:[#8]:[#6],PAINS,6
+misc_furan_A(1),c:1:c(:o:c(:c:1-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-c:2:c:c-3:c(:c:c:2)-[#8]-[#6](-[#8]-3)(-[#1])-[#1],PAINS,6
+rhod_sat_E(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#7](-[#1])-c:2:c:c:c:c:3:c:c:c:c:c:2:3)-[#6]-4=[#8],PAINS,6
+rhod_sat_imine_A(1),[#7]-3(-[#6](=[#8])-c:1:c:c:c:c:c:1)-[#6](=[#7]-c:2:c:c:c:c:c:2)-[#16]-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6
+rhod_sat_F(1),[#7]-2(-c:1:c:c:c:c:c:1)-[#6](=[#8])-[#16]-[#6](-[#1])(-[#1])-[#6]-2=[#16],PAINS,6
+het_thio_5_imine_B(1),[#7]-1(-[#6](-[#1])-[#1])-[#6](=[#16])-[#7](-[#6]:[#6])-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6
+het_thio_5_imine_C(1),[#16]-1-[#6](=[#7]-[#7]-[#1])-[#16]-[#6](=[#7]-[#6]:[#6])-[#6]-1=[#7]-[#6]:[#6],PAINS,6
+ene_five_het_N(1),"[#6]-2(=[#8])-[#6](=[#6](-[#1])-c:1:c(:c:c:c(:c:1)-[F,Cl,Br,I])-[#8]-[#6](-[#1])-[#1])-[#7]=[#6](-[#16]-[#6](-[#1])-[#1])-[#16]-2",PAINS,6
+thio_carbam_A(1),[#6](-[#1])(-[#1])-[#16]-[#6](=[#16])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+misc_anilide_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6])-[#1])-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+misc_anilide_B(1),c:1(:c(:c:c(:c:c:1-[#6])-[Br])-[#6])-[#7](-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]-[#6]-[#6],PAINS,6
+mannich_B(1),c:1-2:c(:c:c:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6]:[#6]-[#8]-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#1],PAINS,6
+mannich_catechol_A(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6]-2(-[#1])-[#1])-[#1])-[#8])-[#8])-[#1],PAINS,6
+anil_alk_D(1),[#7](-[#1])(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+het_65_I(1),n:1:2:c:c:c(:c:c:1:c:c(:c:2-[#6](=[#8])-[#6]:[#6])-[#6]:[#6])-[#6](~[#8])~[#8],PAINS,6
+misc_urea_A(1),c:1(:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#6](=[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1])-[#6](-[#6;X4])(-[#6;X4])-[#7](-[#1])-[#6](=[#8])-[#7](-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6],PAINS,6
+imidazole_C(1),[#6]-3(-[#1])(-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])-c:2:c(:c(:c(:c(:c:2-[#1])-[Br])-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-c:4:c-3:c(:c(:c(:c:4-[#1])-[#1])-[#1])-[#1],PAINS,6
+styrene_imidazole_A(1),[#6](=[#6](-[#1])-[#6](-[#1])(-[#1])-n:1:c(:n:c(:c:1-[#1])-[#1])-[#1])(-[#6]:[#6])-[#6]:[#6],PAINS,6
+thiazole_amine_M(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:n:c:c:2)-[#7](-[#1])-[#6]:[#6]-[#6](-[#1])-[#1],PAINS,6
+misc_pyrrole_thiaz(1),c:1(:n:c(:c(-[#1]):s:1)-c:2:c:c:c:c:c:2)-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](-[#1])(-[#1])-c:3:c:c:c:n:3-[#1],PAINS,6
+pyrrole_L(1),n:1(-[#1]):c(:c(-[#6](-[#1])-[#1]):c(:c:1-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])-[#1])-[#6](=[#8])-[#8]-[#6](-[#1])-[#1],PAINS,6
+het_thio_65_D(1),"c:2(:n:c:1:c(:c(:c:c(:c:1-[#1])-[F,Cl,Br,I])-[#1]):n:2-[#1])-[#16]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#7](-[#1])-[#6]:[#6]",PAINS,6
+ene_misc_E(1),c:1(:c(:c-2:c(:c(:c:1-[#8]-[#6](-[#1])-[#1])-[#1])-[#6]=[#6]-[#6](-[#1])-[#16]-2)-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
+thio_cyano_A(1),[#7]-1(-[#1])-[#6](=[#16])-[#6](-[#1])(-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#6](=[#6]-1-[#6]:[#6])-[#1],PAINS,6
+cyano_amino_het_B(1),n:1:c(:c(:c(:c(:c:1-[#16;X2]-c:2:c:c:c:c:c:2-[#7](-[#1])-[#1])-[#6]#[#7])-c:3:c:c:c:c:c:3)-[#6]#[#7])-[#7](-[#1])-[#1],PAINS,6
+cyano_pyridone_G(1),[#7]-2(-c:1:c:c:c(:c:c:1)-[#8]-[#6](-[#1])-[#1])-[#6](=[#8])-[#6](=[#6]-[#6](=[#7]-2)-n:3:c:n:c:c:3)-[#6]#[#7],PAINS,6
+het_65_J(1),o:1:c(:c:c:2:c:1:c(:c(:c(:c:2-[#1])-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#6](~[#8])~[#8],PAINS,6
+ene_one_yne_A(1),[#6]#[#6]-[#6](=[#8])-[#6]#[#6],PAINS,6
+anil_OH_no_alk_B(1),c:2(:c:1:c(:c(:c(:c(:c:1:c(:c(:c:2-[#8]-[#1])-[#6]=[#8])-[#1])-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#1],PAINS,6
+hzone_acyl_misc_A(1),"c:1(:c(:c(:c(:o:1)-[$([#1]),$([#6](-[#1])-[#1])])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[$([#1]),$([#6](-[#1])-[#1])])-c:2:c:c:c:c(:c:2)-[*]-[*]-[*]-c:3:c:c:c:o:3",PAINS,6
+thiophene_F(1),[#16](=[#8])(=[#8])-[#7](-[#1])-c:1:c(:c(:c(:s:1)-[#6]-[#1])-[#6]-[#1])-[#6](=[#8])-[#7]-[#1],PAINS,6
+anil_OC_alk_E(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#8]-[#1])-[#6](-[#1])-[#1],PAINS,6
+anil_OC_alk_F(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-[#6](-[#1])(-[#6]=[#8])-[#16],PAINS,6
+het_65_K(1),n1nnnc2cccc12,PAINS,6
+het_65_L(1),c:1-2:c(-[#1]):s:c(:c:1-[#6](=[#8])-[#7]-[#7]=[#6]-2-[#7](-[#1])-[#1])-[#6]=[#8],PAINS,6
+coumarin_E(1),c:1-3:c(:c:2:c(:c:c:1-[Br]):o:c:c:2)-[#6](=[#6]-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
+coumarin_F(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:o:c:c:2-[Br])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
+coumarin_G(1),"c:1-2:c(:c:c(:c:c:1-[F,Cl,Br,I])-[F,Cl,Br,I])-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-[#1])-[#6](=[#7]-[#1])-[#8]-2)-[#1]",PAINS,6
+coumarin_H(1),c:1-3:c(:c:c:c:c:1)-[#6](=[#6](-[#6](=[#8])-[#7](-[#1])-c:2:n:c(:c:s:2)-[#6]:[#16]:[#6]-[#1])-[#6](=[#8])-[#8]-3)-[#1],PAINS,6
+het_thio_67_A(1),[#6](-[#1])(-[#1])-[#16;X2]-c:2:n:n:c:1-[#6]:[#6]-[#7]=[#6]-[#8]-c:1:n:2,PAINS,6
+sulfonamide_I(1),[#16](=[#8])(=[#8])(-c:1:c:n(-[#6](-[#1])-[#1]):c:n:1)-[#7](-[#1])-c:2:c:n(:n:c:2)-[#6](-[#1])(-[#1])-[#6]:[#6]-[#8]-[#6](-[#1])-[#1],PAINS,6
+het_65_mannich(1),c:1-2:c(:c(:c(:c(:c:1-[#8]-[#6](-[#1])(-[#1])-[#8]-2)-[#6](-[#1])(-[#1])-[#7]-3-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#6]:[#6]-3)-[#1])-[#1])-[#1],PAINS,6
+anil_alk_A(1),[#6](-[#1])(-[#1])-[#8]-[#6]:[#6]-[#6](-[#1])(-[#1])-[#7](-[#1])-c:2:c(:c(:c:1:n(:c(:n:c:1:c:2-[#1])-[#1])-[#6]-[#1])-[#1])-[#1],PAINS,6
+het_5_inium(1),[#7]-4(-c:1:c:c:c:c:c:1)-[#6](=[#7+](-c:2:c:c:c:c:c:2)-[#6](=[#7]-c:3:c:c:c:c:c:3)-[#7]-4)-[#1],PAINS,6
+anil_di_alk_P(1),[#6](-[#1])(-[#1])-[#7](-[#6](-[#1])-[#1])-c:2:c:c:c:1:s:c(:n:c:1:c:2)-[#16]-[#6](-[#1])-[#1],PAINS,6
+thio_urea_Q(1),c:1:2:c(:c(:c(:c(:c:1:c(:c(-[#1]):c(:c:2-[#1])-[#1])-[#6](-[#6](-[#1])-[#1])=[#7]-[#7](-[#1])-[#6](=[#16])-[#7](-[#1])-[#6]:[#6]:[#6])-[#1])-[#1])-[#1])-[#1],PAINS,6
+thio_pyridine_A(1),[#6]:1(:[#7]:[#6](:[#7]:[!#1]:[#7]:1)-c:2:c(:c(:c(:o:2)-[#1])-[#1])-[#1])-[#16]-[#6;X4],PAINS,6
+melamine_B(1),n:1:c(:n:c(:n:c:1-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#7](-[#6]-[#1])-[#6]=[#8],PAINS,6
+misc_phthal_thio_N(1),c:1(:n:s:c(:n:1)-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](-[#1])(-[#1])-[#7]-[#6](=[#8])-c:2:c:c:c:c:c:2-[#6](=[#8])-[#8]-[#1])-c:3:c:c:c:c:c:3,PAINS,6
+hzone_acyl_misc_B(1),n:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#7]=[#6](-[#1])-c:2:c:c:c:c:c:2-[#8]-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#1],PAINS,6
+tert_butyl_B(1),[#6](-[#1])(-[#1])(-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#6](-[#6](-[#1])(-[#1])-[#1])(-[#6](-[#1])(-[#1])-[#1])-[#6](-[#1])(-[#1])-[#1])-[#1])-[#6](-[#1])(-[#1])-c:2:c:c:c(:c(:c:2-[#1])-[#1])-[#8]-[#1])-[#1],PAINS,6
+diazox_E(1),[#7](-[#1])(-[#1])-c:1:c(-[#7](-[#1])-[#1]):c(:c(-[#1]):c:2:n:o:n:c:1:2)-[#1],PAINS,6
+anil_NH_no_alk_B(1),"[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7](-[#1])-[#16](=[#8])=[#8])-[#1])-[#7](-[#1])-[#6](-[#1])-[#1])-[F,Cl,Br,I])-[#1]",PAINS,6
+anil_no_alk_A(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#7]=[#6]-2-[#6](=[#6]~[#6]~[#6]=[#6]-2)-[#1])-[#1])-[#1])-[#1])-[#1],PAINS,6
+anil_no_alk_B(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-n:2:c:c:c:c:2)-[#1])-[#6](-[#1])-[#1])-[#6](-[#1])-[#1])-[#1],PAINS,6
+thio_ene_amine_A(1),[#16]=[#6]-[#6](-[#6](-[#1])-[#1])=[#6](-[#6](-[#1])-[#1])-[#7](-[#6](-[#1])-[#1])-[#6](-[#1])-[#1],PAINS,6
+het_55_B(1),[#6]-1:[#6]-[#8]-[#6]-2-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8]-[#6]-1-2,PAINS,6
+cyanamide_A(1),[#8]-[#6](=[#8])-[#6](-[#1])(-[#1])-[#16;X2]-[#6](=[#7]-[#6]#[#7])-[#7](-[#1])-c:1:c:c:c:c:c:1,PAINS,6
+ene_one_one_A(1),[#8]=[#6]-[#6]-1=[#6](-[#16]-[#6](=[#6](-[#1])-[#6])-[#16]-1)-[#6]=[#8],PAINS,6
+ene_six_het_D(1),[#8]=[#6]-1-[#7]-[#7]-[#6](=[#7]-[#6]-1=[#6]-[#1])-[!#1]:[!#1],PAINS,6
+ene_cyano_E(1),[#8]=[#6]-[#6](-[#1])=[#6](-[#6]#[#7])-[#6],PAINS,6
+ene_cyano_F(1),[#8](-[#1])-[#6](=[#8])-c:1:c(:c(:c(:c(:c:1-[#8]-[#1])-[#1])-c:2:c(-[#1]):c(:c(:o:2)-[#6](-[#1])=[#6](-[#6]#[#7])-c:3:n:c:c:n:3)-[#1])-[#1])-[#1],PAINS,6
+hzone_furan_C(1),c:1:c(:c:c:c:c:1)-[#7](-c:2:c:c:c:c:c:2)-[#7]=[#6](-[#1])-[#6]:3:[#6](:[#6](:[#6](:[!#1]:3)-c:4:c:c:c:c(:c:4)-[#6](=[#8])-[#8]-[#1])-[#1])-[#1],PAINS,6
+anil_no_alk_C(1),[#7](-[#1])(-[#1])-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-c:2:c(-[#1]):c(:c(-[#6](-[#1])-[#1]):o:2)-[#6]=[#8])-[#1])-[#1],PAINS,6
+hzone_acid_D(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c(:c:c:1)-[#7]-[#7]=[#6](-[#1])-[#6]:2:[#6](:[#6](:[#6](:[!#1]:2)-c:3:c:c:c:c:c:3)-[#1])-[#1],PAINS,6
+hzone_furan_E(1),[#8](-[#1])-[#6](=[#8])-c:1:c:c:c:c(:c:1)-[#6]:[!#1]:[#6]-[#6]=[#7]-[#7](-[#1])-[#6](=[#8])-[#6](-[#1])(-[#1])-[#8],PAINS,6
+het_6_pyridone_NH2(1),[#8](-[#1])-[#6]:1:[#6](:[#6]:[!#1]:[#6](:[#7]:1)-[#7](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6](=[#8])-[#8],PAINS,6
+imine_one_fives_D(1),[#6]-1(=[!#6&!#1])-[#6](-[#7]=[#6]-[#16]-1)=[#8],PAINS,6
+pyrrole_M(1),n2(-c:1:c:c:c:c:c:1)c(c(-[#1])c(c2-[#6]=[#7]-[#8]-[#1])-[#1])-[#1],PAINS,6
+pyrrole_N(1),n2(-[#6](-[#1])-c:1:c(:c(:c:c(:c:1-[#1])-[#1])-[#1])-[#1])c(c(-[#1])c(c2-[#6]-[#1])-[#1])-[#6]-[#1],PAINS,6
+pyrrole_O(1),n1(-[#6](-[#1])-[#1])c(c(-[#6](=[#8])-[#6])c(c1-[#6]:[#6])-[#6])-[#6](-[#1])-[#1],PAINS,6
+ene_cyano_G(1),n1(-[#6])c(c(-[#1])c(c1-[#6](-[#1])=[#6](-[#6]#[#7])-c:2:n:c:c:s:2)-[#1])-[#1],PAINS,6
+sulfonamide_J(1),n3(-c:1:c:c:c:c:c:1-[#7](-[#1])-[#16](=[#8])(=[#8])-c:2:c:c:c:s:2)c(c(-[#1])c(c3-[#1])-[#1])-[#1],PAINS,6
+misc_pyrrole_benz(1),n2(-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#6](=[#8])-[#7](-[#1])-[#6](-[#1])(-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#8]-[#6]:[#6])c(c(-[#1])c(c2-[#1])-[#1])-[#1],PAINS,6
+thio_urea_R(1),c:1(:c:c:c:c:c:1)-[#7](-[#1])-[#6](=[#16])-[#7]-[#7](-[#1])-[#6](-[#1])=[#6](-[#1])-[#6]=[#8],PAINS,6
+ene_one_one_B(1),[#6]-1(-[#6](=[#8])-[#6](-[#1])(-[#1])-[#6]-[#6](-[#1])(-[#1])-[#6]-1=[#8])=[#6](-[#7]-[#1])-[#6]=[#8],PAINS,6
+dhp_amino_CN_H(1),[#7](-[#1])(-[#1])-[#6]-1=[#6](-[#6]#[#7])-[#6](-[#1])(-[#6]:[#6])-[#16]-[#6;X4]-[#16]-1,PAINS,6
+het_66_anisole(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:c:c:n:c:3:c(:c:c:c(:c:2:3)-[#8]-[#6](-[#1])-[#1])-[#8]-[#6](-[#1])-[#1],PAINS,6
+thiazole_amine_N(1),[#6](-[#1])(-[#1])-[#8]-c:1:c(:c(:c(:c(:c:1-[#1])-[#1])-[#8]-[#6](-[#1])-[#1])-[#1])-[#7](-[#1])-c:2:n:c(:c:s:2)-c:3:c:c:c(:c:c:3)-[#8]-[#6](-[#1])-[#1],PAINS,6
+het_pyridiniums_C(1),[#6]~1~3~[#7](-[#6]:[#6])~[#6]~[#6]~[#6]~[#6]~1~[#6]~2~[#7]~[#6]~[#6]~[#6]~[#7+]~2~[#7]~3,PAINS,6
+het_5_E(1),[#7]-3(-c:2:c:1:c:c:c:c:c:1:c:c:c:2)-[#7]=[#6](-[#6](-[#1])-[#1])-[#6](-[#1])(-[#1])-[#6]-3=[#8],PAINS,6
+"2,2-dimethyl-4,5-dicarboxy-dithiole",C1(C)(C)SC(C(=O)O)=C(C(=O)O)S1,SureChEMBL,5
+"2,3,4_trihydroxyphenyl",c([OH])c([OH])c([OH]),SureChEMBL,5
+"2,3,5_trihydroxyphenyl",c([OH])c([OH])cc([OH]),SureChEMBL,5
+acid_anhydrides,C(=O)OC(=O),SureChEMBL,5
+acid_halides,"[S,C](=[O,S])[F,Br,Cl,I]",SureChEMBL,5
+Acridine,c1c2cc4ccccc4nc2ccc1,SureChEMBL,5
+Active_Phosphate,"P(=S)([OH1,O$(O[#6])])([OH1,O$(O[#6])])[S,O]",SureChEMBL,5
+acyl_cyanide,C(=O)-C#N,SureChEMBL,5
+Adjacent_Ring_Double_Bonds,[*;R]=[*;R]=[*;R],SureChEMBL,5
+Aldehyde,[#6][C!H0]=O,SureChEMBL,5
+Aliphatic_Triflate,COS(=O)(=O)C(F)(F)F,SureChEMBL,5
+alkyl_halides,"[Br,Cl,I][CX4;CH,CH2]",SureChEMBL,5
+AlkylEnamine,"[C;H1$(C([#6;!$(C=O)])),H0$(C([#6;!$(C=O)])[#6;!$(C=O)])]=[CH1]!@N([#6;!$(C(=O))])[#6;!$(C(=O))]",SureChEMBL,5
+Allene,*=C=*,SureChEMBL,5
+Alpha_Halo_Carbonyl,"[C;!$(C[N])](=O)!@[C;h1,h2;H1,H2][F,Cl,Br,I]",SureChEMBL,5
+amidotetrazole,c1nnnn1C=O,SureChEMBL,5
+Amino_Naphtalimide,c1(N)ccc(C(=O)NC3(=O))c(c3ccc2)c21,SureChEMBL,5
+Aminonitrile,NC#N,SureChEMBL,5
+Anhydride,[#6]C(=O)OC(=O)[#6],SureChEMBL,5
+Any_Carbazide,O=*N=[N+]=[N-],SureChEMBL,5
+aromatic_azides,cN=N=N,SureChEMBL,5
+Azanitrone,N=[N+]([O-])C,SureChEMBL,5
+azoalkanals,[N;R0]=[N;R0]CC=O,SureChEMBL,5
+Azobenzene,c1ccccc1[N!r]=[N!r]c2ccccc2,SureChEMBL,5
+Azocyanamide,[N;R0]=[N;R0]C#N,SureChEMBL,5
+b-Carbonyl_Quaternary_Nitrogen,"C(=O)CC[N+,n+]",SureChEMBL,5
+benzylic_quaternary_nitrogen,"cC[N+,NX4]",SureChEMBL,5
+beta-carbonyl_quaternary_nitrogen,"C(=O)C[N+,n+,NX4,nX4]",SureChEMBL,5
+Beta-Fluoro-ethyl-ON,"[C;H2$(CF),H1$(C(F)F)]!@[CH2][N,O]",SureChEMBL,5
+biotin_analogue,C12C(NC(N1)=O)CSC2,SureChEMBL,5
+carbazides,C(=O)N=N=N,SureChEMBL,5
+carbodiimides,N=C=N,SureChEMBL,5
+CCl3-CHO_releasing,"C(Cl)(Cl)(Cl)C([O,S])[NX3]",SureChEMBL,5
+Chloramidine,[Cl]C([C&R0])=N,SureChEMBL,5
+Conjugated_Dithioether,SC(=[!r])S,SureChEMBL,5
+Crown_Ether_12CRO4,O1CCOCCOCCOCC1,SureChEMBL,5
+Crown_Ether_15CRO5,O1CCOCCOCCOCCOCC1,SureChEMBL,5
+Crown_Ether_16CRO6,O1CCOCCOCCOCCOCCOCC1,SureChEMBL,5
+crown_ethers,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],SureChEMBL,5
+cyanamide,N[CH2]C#N,SureChEMBL,5
+Cyanophosphonate,P(OCC)(OCC)(=O)C#N,SureChEMBL,5
+Cyanohydrin,N#CC[OH1],SureChEMBL,5
+di_and_triphosphates,P(=O)([OH])OP(=O)[OH],SureChEMBL,5
+Diacetylene,C#CC#C,SureChEMBL,5
+Diazoalkane,C=[N+]=[N-],SureChEMBL,5
+Diazonium_Salt,[N+]#N,SureChEMBL,5
+Diene,C!@=[CH1]-C!@=[CH1]-[CX3](=O),SureChEMBL,5
+Dinitrobenzene_1,c1c([N+](=O)[O-])c([N+](=O)[O-])ccc1,SureChEMBL,5
+Dinitrobenzene_2,c1c([N+](=O)[O-])ccc([N+](=O)[O-])c1,SureChEMBL,5
+Dinitrobenzene_3,c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1,SureChEMBL,5
+disulfides,[SX2][SX2],SureChEMBL,5
+Dithiocarbamate,NC(=S)S,SureChEMBL,5
+Dithiole-2-thione,S1SC=CC1=S,SureChEMBL,5
+Dithiole-3-thione,S1C=CSC1=C,SureChEMBL,5
+Dithiomethylene_acetal,S[C;!$(C=*)]S,SureChEMBL,5
+Enyne,C=!@CC#C,SureChEMBL,5
+"epoxides,_thioepoxides,_aziridines","C1[O,S,N]C1",SureChEMBL,5
+ester_of_HOBT,C(=O)Onnn,SureChEMBL,5
+Flavin,"c1cccc(NC(=NC(=[N,S,O])NC(=O)3)C3=N2)c12",SureChEMBL,5
+Fluorescein,c1cc(O)cc(OC(=CC(=O)C=C3)C3=C2)c12,SureChEMBL,5
+Fluorinated_Carbon_1,C(C(CF)F)F,SureChEMBL,5
+Fluorinated_Carbon_2,C(C(F)F)(F)F,SureChEMBL,5
+four_member_lactones,C1(=O)OCC1,SureChEMBL,5
+geminal_amines,[NH1;!r][CX4][NH1;!r],SureChEMBL,5
+geminal_dinitriles,N#CCC#N,SureChEMBL,5
+"halo-pyridine,_-diazoles_and_-triazoles","[Cl,Br,I]c1[c,n][c,n][c,n][c,n]n1",SureChEMBL,5
+hydrazothiourea,N=NC(S)N,SureChEMBL,5
+Imidazolium,c1[n+]([#6])ccn1([#6]),SureChEMBL,5
+Imine2,"[#6,#8,#16]-[CH1]=[NH1]",SureChEMBL,5
+imines_(not_ring),"[#6][C;R0](=[N;R0,O0])[#6]",SureChEMBL,5
+isocyanates_and_isothiocyanates,"N=C=[S,O]",SureChEMBL,5
+isonitrile,[N+]#[C-],SureChEMBL,5
+ketene,C=C=O,SureChEMBL,5
+Lawesson_Reagent_Derivatives,P(=S)(S)S,SureChEMBL,5
+"methylidene-1,3-dithiole",S1C=CSC1=S,SureChEMBL,5
+Michael_Phenyl_Ketone,c1ccccc1C(=O)C=!@CC(=O)!@*,SureChEMBL,5
+N-halo,"[NX3,NX4][F,Cl,Br,I]",SureChEMBL,5
+Nitrobenz-azadiazole_1,"c1ccc(n[o,s]n2)c2c1[N+](=O)[O-]",SureChEMBL,5
+Nitrobenz-azadiazole_2,"c1c([N+](=O)[O-])cc(n[o,s]n2)c2c1",SureChEMBL,5
+nitrosamine,N-[N;X2](=O),SureChEMBL,5
+nitroso,[N&D2](=O),SureChEMBL,5
+noname,"N1=C[S,NH1]C(=[C,N,P][C,N,O,P])C1(=O)",SureChEMBL,5
+N-Oxide_aliphatic,[N+!$(N=O)][O-X1],SureChEMBL,5
+N-S_(not_sulfonamides),[#6][S!$(S(~[OD1])~[OD1])][N;H0],SureChEMBL,5
+Orthoester,C(O)(O)[OH],SureChEMBL,5
+o-tertbutylphenol,c1c([OH1])c(C(C)(C)C)ccc1,SureChEMBL,5
+Oxobenzothiepine,C1(=O)C=CCSC=C1,SureChEMBL,5
+P_or_S_Halides,"[P,S][Cl,Br,F,I]",SureChEMBL,5
+p-Aminoaryl_diazo,Nc1aaa(N!@=N)aa1,SureChEMBL,5
+PCP,PCP,SureChEMBL,5
+paranitrophenyl_esters,C(=O)Oc1ccc([N+](=O)[O-])cc1,SureChEMBL,5
+pentahalophenyl,"c1c([F,Cl])c([F,Cl])c([F,Cl])c([F,Cl])c1([F,Cl])",SureChEMBL,5
+pentafluorophenyl_esters,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),SureChEMBL,5
+peroxide,[#8]~[#8],SureChEMBL,5
+Phenanthrene,c12cccc3c1c4c(cc3)cccc4cc2,SureChEMBL,5
+Phenylester,C(=O)!@Oc1ccccc1,SureChEMBL,5
+phosphonate_esters,[#6]P(=O)(~O)O[#6],SureChEMBL,5
+phosphoramides,NP(=O)(N)N,SureChEMBL,5
+phosphorane,C=P,SureChEMBL,5
+Phosphorus_Halide,"[S,P][F,Cl,Br,I]",SureChEMBL,5
+Polyene,C=!@CC=!@C,SureChEMBL,5
+polyenes,C=CC=CC=CC=C,SureChEMBL,5
+polyene_chain_between_aromatics,cC=CC=CC=Cc,SureChEMBL,5
+polyines,CC#CC#CC,SureChEMBL,5
+Polynuclear_Aromatic_1,c1cccc(cc(cccc2)c2c3)c13,SureChEMBL,5
+Polynuclear_Aromatic_2,c1cccc(c(cccc2)c2cc3)c13,SureChEMBL,5
+Polysulfide,*[SX2][SX2][SX2]*,SureChEMBL,5
+Sulphur_Halide,"[#16][F,Cl,Br,I]",SureChEMBL,5
+pyrene_fragments,c1c2cccc3c2c4c(cc3)cccc4c1,SureChEMBL,5
+Pyrylium,c1ccc[o+]c1,SureChEMBL,5
+reactive_carbonyls,"[C;!r](=[O,S])[S;!r]",SureChEMBL,5
+reactive_carbonyls,"[C;!r](=[O,S])[CD2;!r][F,Br,Cl]",SureChEMBL,5
+Ring_Triple_Bond,"[C,c;R]#[C,c;R]",SureChEMBL,5
+S=N_(not_ring),[S;R0]=[N;R0],SureChEMBL,5
+Sulfonate_Ester,O=[SX4](=O)OC,SureChEMBL,5
+sulfonyl_cyanide,S(=O)(=O)C#N,SureChEMBL,5
+Sulphate_Ester,"COS(=O)O[C,c]",SureChEMBL,5
+sulphonates,"COS(=O)(=O)[C,c]",SureChEMBL,5
+Sulphur_Nitrogen_single_bond,[SX2H0]!@[N],SureChEMBL,5
+Tetraazinane,C1NNC=NN1,SureChEMBL,5
+Thiocyanate,SC#N,SureChEMBL,5
+thioesters,"C[O,S;R0][C;R0](=S)",SureChEMBL,5
+thioles_(not_aromatic),[!a][SX2;H1],SureChEMBL,5
+Thiophosphothionate,"P(=S)(-[S;H1,H0$(S(P)C)])(-[O;H1,H0$(O(P)C)])(-N(C)C)",SureChEMBL,5
+thiourea,[N;!r][C;!r](=S)[N;!r],SureChEMBL,5
+Three_Membered_Heterocycle,"*1[O,S]*1",SureChEMBL,5
+Tri_Pentavalent_S,"[#16v3,#16v5]",SureChEMBL,5
+Triacyloxime,C(=O)N(C(=O))OC(=O),SureChEMBL,5
+Triazole,c1cnnn1!@C!@[NH1][#6],SureChEMBL,5
+triflate,OS(=O)(=O)(C(F)(F)(F)),SureChEMBL,5
+Triphenyl_Boranyl,B(c1ccccc1)(c2ccccc2)c3ccccc3,SureChEMBL,5
+triphenylphosphines,P(c1aaaaa1)(c1aaaaa1)(c1aaaaa1),SureChEMBL,5
+Triphenyl_Silyl,[Si](c1ccccc1)(c2ccccc2)(c3ccccc3),SureChEMBL,5
+Vinyl_Halide,"[Cl,Br,I]C=[!O!R]",SureChEMBL,5
+Vinyl_Sulphone,"[#6][CH1]!@=[CH1][S;H1,H0$(S(C)C)](=O)(=O)",SureChEMBL,5
+sulphates,[#6]S(=O)(=O)O,SureChEMBL,5
+tropone,C1C(=O)C=CC=CC=1,SureChEMBL,5
+Oxime,"[#6]C(=!@N[$(OC),$([OH])])[#6]",SureChEMBL,5
+hydrazone,[#6]C(=!@NNa)[#6],SureChEMBL,5
+Nitrosone_not_nitro,[$(N(~!@[#6])!@O);!$([N+]([O-])=O)],SureChEMBL,5
+Thiocarbonyl_group,C=S,SureChEMBL,5
+enamine_like,C=[NH],SureChEMBL,5
+analine,"c1ccccc1[NH2,NH3+]",SureChEMBL,5
+acid_anhydrides_2,"[#6]C(=O)!@OC(=!@[N,O])[#6]",SureChEMBL,5
+trifluroacetate_amide,FC(F)(F)C(=O)N,SureChEMBL,5
+triple_bond,[#6]C#[CH],SureChEMBL,5
+Allene,C=C=C,SureChEMBL,5
+thiatetrazolidine,"[$(Sc1nnn[nH,n-]1),$(Sc1nn[nH,n-]n1)]",SureChEMBL,5
+glycol,"[#6][O;R0][$(C([#6])[#6]),$([CH][#6]),$([CH2])][O;R0][#6]",SureChEMBL,5
+oxy-amide,[#6]C(=O)!@C!@C(=O)N,SureChEMBL,5
+formate_formide,"O=[CH][O,N][#6]",SureChEMBL,5
+pyranone,O=C1C=COC=C1,SureChEMBL,5
+Coumarin,c1cc2C=CC(=O)Oc2cc1,SureChEMBL,5
+aminothiazole,s1ccnc1[N!H0],SureChEMBL,5
+Thiazolidinone,O=C1CSCN1,SureChEMBL,5
+Thiomorpholinedione,N1C(=O)CSCC1=O,SureChEMBL,5
+oxepine,O1C=CC=CC=C1,SureChEMBL,5
+phenylethene,c1ccccc1!@[CH]=!@[C!H0],SureChEMBL,5
+Ethene,C=[CH2],SureChEMBL,5
+cyclobutene,C1CC=C1,SureChEMBL,5
+poly_sub_atomatic,*!@c1c(!@*)c(!@*)c(!@*)c(!@*)c1,SureChEMBL,5
+Isotopes,"[2#1,3#1,11C,11c,14C,14c,125I,32P,33P,35S]",SureChEMBL,5
+Undesirable_Elements_Salts,"[Ac,Ag,Am,Ar,As,At,Au,Ba,Be,Bi,Bk,Cd,Ce,Cf,Cm,Cr,Cs,Dy,Er,Eu,Fr,Ga,Gd,Ge,He,Hf,Ho,In,Ir,Kr,La,Lu,Mo,Nb,Nd,Ne,Ni,Np,Os,Pa,Pb,Pd,Pm,Po,Pr,Pt,Pu,Ra,Rb,Re,Rh,Rn,Ru,Sb,Sc,Se,Sm,Sr,Ta,Tb,Tc,Te,Th,Ti,Tl,Tm,U,V,W,Xe,Y,Yb,Zr]",SureChEMBL,5
+Metal_Carbon_bond,"[#6;$([#6]~[#3,#11,#12,#13,#19,#20,#26,#27,#28,#29,#30])]",SureChEMBL,5
+Aromatic_N-Oxide_more_than_one,[n+][O-X1].[n+][O-X1],SureChEMBL,5
+Nitro_more_than_one,[N+](=O)[O-].[N+](=O)[O-],SureChEMBL,5
+anhydride,C(=O)OC(=O),MLSMR,3
+pentafluorophenyl ester,C(=O)Oc1c(F)c(F)c(F)c(F)c1(F),MLSMR,3
+p-nitrophenyl ester,C(=O)Oc1ccc([N+]([O-])=O)cc1,MLSMR,3
+any carbazide,O=*N=[N+]=[N-],MLSMR,3
+HOBT ester,C(=O)Onnn,MLSMR,3
+aromatic azide,cN=[N+]=[N-],MLSMR,3
+imine2,"[#6,#8,#16]-[CH1]=[NH1]",MLSMR,3
+sulfonyl cyanide,S(=O)(=O)C#N,MLSMR,3
+azocyanamide,[N;R0]=[N;R0]C#N,MLSMR,3
+cyanohydrin,N#CC[OH],MLSMR,3
+acyl cyanide,N#CC(=O),MLSMR,3
+acid halide,"[S,C](=[O,S])[F,Br,Cl,I]",MLSMR,3
+chloramidine,[Cl]C([C&R0])=N,MLSMR,3
+P/S halide,"[P,S][F,Cl,Br,I]",MLSMR,3
+quaternary,"[C+,Cl+,I+,P+,S+]",MLSMR,3
+unacceptable atoms,[!#6;!#7;!#8;!#16;!#1;!#3;!#9;!#11;!#12;!#15;!#17;!#19;!#20;!#30;!#35],MLSMR,3
+triacyloxime,C(=O)N(C(=O))OC(=O),MLSMR,3
+b-carbonyl quaternary nitrogen,"C(=O)CC[N+,n+]",MLSMR,3
+benzylic quaternary nitrogen,cC[N+],MLSMR,3
+phosphorane,C=P,MLSMR,3
+Lawesson reagent derivatives,P(=S)(S)S,MLSMR,3
+cyanophosphonate,P(OCC)(OCC)(=O)C#N,MLSMR,3
+sulfonate,"COS(=O)(=O)[C,c]",MLSMR,3
+Heteroaryl sulfonate,"a-S(=O)(=O)-O[$([a&!#6]),$(c[a&!#6]),$(cc[a&!#6]),$(ccc[a&!#6]),$(cccc[a&!#6]),$(ccccc[a&!#6])]",MLSMR,3
+sulfate ester,"COS(=O)O[C,c]",MLSMR,3
+triflate,OS(=O)(=O)C(F)(F)F,MLSMR,3
+polyacidic,"[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]",MLSMR,3
+Sulfonic acid,[OH]-S(=O)(=O)-*,MLSMR,3
+thiol,[SH],MLSMR,3
+benzhydrol,[OH1]-C(-c1ccccc1)c2ccccc2,MLSMR,3
+dihydroxybenzene,[OH1]c1ccc([OH1])cc1,MLSMR,3
+"2,3,4trihydroxyphenyl",c([OH])c([OH])c([OH]),MLSMR,3
+"2,4,5trihydroxyphenyl",c([OH])c([OH])cc([OH]),MLSMR,3
+allene,*=C=*,MLSMR,3
+Azide,N=N=N,MLSMR,3
+azoalkanal,[N;R0]=[N;R0]CC=O,MLSMR,3
+hydrazothiourea,N=NC(=S)N,MLSMR,3
+Azo,N=N,MLSMR,3
+aldehyde,[#6]-[CH1]=O,MLSMR,3
+hemiacetal,[#6]-O[CH1](-[#6])[OH1],MLSMR,3
+acetal,[#6]-O[CH1](-[#6])O-[#6],MLSMR,3
+Ketone,[#6]-C(=O)-[#6],MLSMR,3
+Ester,[#6]-C(=O)O-[#6],MLSMR,3
+imine 1,"[#6,#8,#16]-C(=[NH1])[#6,#8,#16]",MLSMR,3
+Imine 3,C=[NH],MLSMR,3
+thioketone,CC(=S)C,MLSMR,3
+thioester,"C[O,S;R0][C;R0](=S)",MLSMR,3
+thionoester,COC(=S)C,MLSMR,3
+thioamide,CC(=S)N,MLSMR,3
+thiourea,NC(=S)N,MLSMR,3
+nitroso,[N&D2](=O),MLSMR,3
+long chain hydrocarbon,[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0],MLSMR,3
+Long aliphatic chain,"[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]-&!@[N,C,S,O]",MLSMR,3
+Unbranched chain,"[$([A&D2]),$([A&D1])]!@[A&D2]!@[A&D2]!@[A&D2]!@[A&D2]!@[$([A&D2]),$([A&D1])]",MLSMR,3
+polyene,C=CC=CC=CC=C,MLSMR,3
+Dye 25,acC=&!@Cca,MLSMR,3
+isonitrile,[N+]#[C-],MLSMR,3
+thiocyanate,SC#N,MLSMR,3
+cyanamide,N[CH2]C#N,MLSMR,3
+Dye 16 (1),c([N+](=O)[O-]),MLSMR,3
+nitro aromatic 2+,a-[N+](=O)[O-].a-[N+](=O)[O-],MLSMR,3
+Dye 29,"O=[N+](-[O-])-caac-[$(N(C)C),$([NH]C),$([NH2])]",MLSMR,3
+Dye 1 (1),"c1cccc(C(=O)[C,c]([#7])=,:[C,c]([#7])C2(=O))c12",MLSMR,3
+Dye 7,"N=C1[#6]:,=[#6]C(=[C,N])[#6]:,=[#6]1",MLSMR,3
+Dye 11,"*=,:[#6]C([#6]=,:*)[#6]=,:*",MLSMR,3
+Dye 9,ac-*=&!@*-&!@C(=O)-&!@ca,MLSMR,3
+Dye 32,"c1cccc2C(=O)C(C:,=*)C(=O)c12",MLSMR,3
+Dye 6,c12cccc(C(=O)C(ca)C(=O)3)c2c3ccc1,MLSMR,3
+Dye 22,NS(=O)(=O)c1cccc([#7])c1,MLSMR,3
+Dye 2,OCccCO,MLSMR,3
+Dye 26,c1ccccc1-n2nnnc2[CH2]*,MLSMR,3
+alkyl halide,"[Br,Cl,I][CX4,CH,CH2,CH3]",MLSMR,3
+Perhalo_ketone,"O=CC(-[F,Cl,Br,I])([F,Cl,Br,I])-[F,Cl,Br,I]",MLSMR,3
+Beta halo carbonyl,"O=CCC[F,Cl,Br,I]",MLSMR,3
+4-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[n]:[c,n]:[c,n]1",MLSMR,3
+2-halopyridine,"[F,Cl,Br][c]1:[c,n]:[c,n]:[c,n]:[c,n]:[n]1",MLSMR,3
+Hetero_hetero,"*[N,S,O]-&!@[N,S,O][#6]",MLSMR,3
+peroxide,OO,MLSMR,3
+disulfide,SS,MLSMR,3
+hydrazine,[#6]-[NH]-[NH]-[#6],MLSMR,3
+acyl hydrazine,[N;R0][N;R0]C(=O),MLSMR,3
+vinyl michael acceptor1,"[#6]-[CH1]=C-C(=O)[#6,#7,#8]",MLSMR,3
+vinyl michael acceptor2,"[CH2]=C-C(=O)[#6,#7,#8]",MLSMR,3
+michael acceptor 5,N#CC(=C)C#N,MLSMR,3
+Michael acceptor 6,"[#6,#7]-&!@[#6](=&!@[CH])-&!@C(=O)-&!@[C,N,O,S]",MLSMR,3
+alkynyl michael acceptor1,"[#6]-C#CC(=O)[#6,#7,#8]",MLSMR,3
+alkynyl michael acceptor2,"[CH1]#CC(=O)-[#6,#7,#8]",MLSMR,3
+nitroalkane,C[N+](=O)[O-],MLSMR,3
+crown ether,[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1],MLSMR,3
+nitrate,[#6]-O-[N+](=O)[O-],MLSMR,3
+Oxalyl,O=C-&!@C=O,MLSMR,3
+Dipeptide,*-C(=O)-&!@[NH]-C-&!@C(=O)-&!@[NH]-*,MLSMR,3
+quaternary nitroxy,C[N+](-[O-])(C)C,MLSMR,3
+Triphenylphosphine,a-P(-a)-a,MLSMR,3
+Phosphoric acid,[OH]-P(=O)(-O)-*,MLSMR,3
+Phosphoric ester,COP(=O)(-*)O,MLSMR,3
+di/triphosphate,P(=O)([OH])OP(=O)[OH],MLSMR,3
+tri phosphoric esters,[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6].[#6]OP(=O)(*)O[#6],MLSMR,3
+phosphoramide,NP(=O)(N)N,MLSMR,3
+Phenalene,c1(c)c2c(c)cccc2ccc1,MLSMR,3
+(poly(azo(anthracene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1[c,n]c3:[c,n]:[c,n]:[c,n]:[c,n]:c3[c,n]2",MLSMR,3
+(poly(azo(phenanthrene)),"c12:[c,n]:[c,n]:[c,n]:[c,n]:c1:[c,n]:[c,n]:c3:[c,n]:[c,n]:[c,n]:[c,n]:c23",MLSMR,3
+Dye 31,a1aaac2ac3acac4aaac(c34)c12,MLSMR,3
+Dye 4,c12ccccc1C(=O)c3ccccc3C2=O,MLSMR,3
+Dye 8,c12cccc(C(=O)N(-&!@C)C(=O)3)c2c3ccc1,MLSMR,3
+"epoxide, aziridine, thioepoxide","C1[O,S,N]C1",MLSMR,3
+propiolactone,C1(=O)OCC1,MLSMR,3
+b-lactam,N1CCC1=O,MLSMR,3
+cycloheximide,O=C1CCCC(N1)=O,MLSMR,3
+aromatic Sulfonic ester,"[#6,#7]-S(=O)(=O)Oc",MLSMR,3
+quinone,"[$([o,n]=c1ccc(=[o,n])cc1),$([O,N]=C1C=CC(=[O,N])C=C1),$([O,N]=C1[#6]:,=[#6]C(=[O,N])[#6]:,=[#6]1)]",MLSMR,3
+saponin,O1CCCCC1OC2CCC3CCCCC3C2,MLSMR,3
+monensin,O1CCCCC1C2CCCO2,MLSMR,3
+squalestatin,C12OCCC(O1)CC2,MLSMR,3
+cyanidin,[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3,MLSMR,3
+cytochalasin,O=C1NCC2CCCCC21,MLSMR,3
+Filter1_2_halo_ether,"[Cl,Br,I][CX4][CX4][$([O,S,N]*),Cl,Br,I]",Inpharmatica,1
+Filter2_acyl_phosphyl_sulfonyl_halide,"[C,S,P](=O)[F,Cl,Br,I]",Inpharmatica,1
+Filter3_allyl_halide,"[F,Cl,Br,I][CX4]C=C",Inpharmatica,1
+Filter4_alpha_halo_carbonyl,"[Br,Cl,I][C!H0]C=[O,S]",Inpharmatica,1
+Filter5_azo,"[$([NX2R0]-[!#7]),$([NX2R0H1])]=[$([NX2R0]-[!#7]),$([NX2R0H1])]",Inpharmatica,1
+Filter6_benzyl_halide,"[Br,Cl,I][CX4]c",Inpharmatica,1
+Filter7_diazo,[!#7]~[NX2]~[NX1],Inpharmatica,1
+Filter8_thio_isocyanat_diimin,"N=C=[N,O,P,S]",Inpharmatica,1
+Filter9_metal,"[$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53]~[*]),$([!#1!#6!#7!#8!#9!#15!#16!#17!#35!#53;h])]",Inpharmatica,1
+Filter10_Terminal_vinyl,"[CH2]=[CH][N,O,P,S;R0]",Inpharmatica,1
+Filter11_nitrosamin,[NR0]~[NX2]~[OX1],Inpharmatica,1
+Filter12_nitroso,"[$([NX2]~*),$([NX2H])]~[OX1]",Inpharmatica,1
+Filter13_PS_double_bond,"S=[$([PX2]~*),$([PX2H])]",Inpharmatica,1
+Filter14_thio_oxopyrylium_salt,"c1ccc[s,o;X2]c1",Inpharmatica,1
+Filter15_thiosulfate,[SX4](~S)(~O)(~O)~*,Inpharmatica,1
+Filter16_trialkyl_phosphin,[PX3]([#6])([#6])[#6],Inpharmatica,1
+Filter17_trialkyl_phosphin2,[PX4](~[!O!S])([#6])([#6])[#6],Inpharmatica,1
+Filter18_oxime_ester,"[$([CX3H1]-[!#7]),$([CX3H2])]=NO[C,S,P](=O)*",Inpharmatica,1
+Filter19_hydroxyimide_ester,O=C[NX3](C=O)OC(=O)*,Inpharmatica,1
+Filter20_hydrazine,[Nv3X3][Nv3X3!H0],Inpharmatica,1
+Filter21_cyanhydrin,[NX1]#C[CX4][OH],Inpharmatica,1
+Filter22_sulfonium_salt,*[SX3](*)*,Inpharmatica,1
+Filter23_ortho_quinone,C1(C=CC=CC1=O)=O,Inpharmatica,1
+Filter24_react_imide,"*C([F,Cl,Br,I,$(OS(=O)(=O)*)])=[NX2]*",Inpharmatica,1
+Filter25_sulfonyl_halide,"*S(=O)(=O)[F,Cl,Br,I]",Inpharmatica,1
+Filter26_alkyl_halide,"AA[CH2][F,Cl,Br,I,$(OS(=O)(=O)*)]",Inpharmatica,1
+Filter27_anhydride,"*[C,S](=O)O[C,S](=O)*",Inpharmatica,1
+Filter28_halo_pyrimidine,"c1nc(ncc1)[Br,I]",Inpharmatica,1
+Filter29_thioester,"CC(=[OX1,SX1,NH])[$([SX2]-*),$([SX2H])]",Inpharmatica,1
+Filter30_beta_halo_carbonyl,"[$(C(-C)(-C)(=O)),$([CH](=O)-C)](=O)CC[Br,I]",Inpharmatica,1
+Filter31_so_bond,"[SX2R0][OX2]",Inpharmatica,1
+Filter32_oo_bond,"[OX2R0][OX2]",Inpharmatica,1
+Filter33_c10_alkyl,[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2],Inpharmatica,1
+Filter34_isotope,"[2#1,3#1,13C,14C,15N,125I,23F,22Na,32P,33P,35S,45Ca,57Co,103Ru,141Ce]",Inpharmatica,1
+Filter35_pp_bond,P-P,Inpharmatica,1
+Filter36_ss_double_bond,S=S,Inpharmatica,1
+Filter37_silicate,[Si]~O,Inpharmatica,1
+Filter38_aldehyde,O=[CH]*,Inpharmatica,1
+Filter39_imine,C[CR0]=[NR0][*!O],Inpharmatica,1
+Filter40_epoxide_aziridine,"C1C[N,S,O]1",Inpharmatica,1
+Filter41_12_dicarbonyl,*C(=O)C(=O)*,Inpharmatica,1
+Filter42_12_dicarbonyl_tautomer,[*!$(C[OH])]=C([OH])C(=O)*,Inpharmatica,1
+Filter43_michael_acceptor_sp1,C#CC=O,Inpharmatica,1
+Filter44_michael_acceptor2,"[$([C!$(C1(=O)C=CC(=O)C=C1)]C),$([Ch]),$(C[OH0])](=O)C=[C!$(C[Nv3X3,OH])]",Inpharmatica,1
+Filter45_allyl_halide2,"[Br,Cl,I][CX4]C=[C,N,P]",Inpharmatica,1
+Filter46_nhalide,"N[F,Cl,Br,I]",Inpharmatica,1
+Filter47_so2f,O=S(=O)(*)F,Inpharmatica,1
+Filter48_foso,O=S(*)OF,Inpharmatica,1
+Filter49_halogen,"[FX2,ClX2,BrX2,IX2,IX3,IX4,IX5]",Inpharmatica,1
+Filter50_grignard,"C[Mg][F,Cl,Br,I]",Inpharmatica,1
+Filter51_pn3,N[PX3](N)N,Inpharmatica,1
+Filter52_NC_haloamine,"NC[F,Cl,Br,I]",Inpharmatica,1
+Filter53_para_quinones,O=C1C=CC(=O)C=C1,Inpharmatica,1
+Filter56_SS_bond,S-S,Inpharmatica,1
+Filter57_polyphenol1,Oc1cc(O)cc(O)c1,Inpharmatica,1
+Filter58_polyphenol2,Oc1c(O)cc(O)cc1,Inpharmatica,1
+Filter59_phoshorous_ylide,C=P,Inpharmatica,1
+Filter60_Acyclic_N-S,N!@[SX2],Inpharmatica,1
+Filter61_phosphor_halide_and_P_S_bond,"[#15]~[F,Cl,Br,I,#16]",Inpharmatica,1
+Filter62_oxo_thio_halide,"[O,S]~[Cl,Br,I]",Inpharmatica,1
+Filter63_polyaromatic,a1aaaa2ccc3ccccc3c12,Inpharmatica,1
+Filter64_halo_ketone_sulfone,"[#6][C,S](=[O,S])C[F,Cl,Br,I]",Inpharmatica,1
+Filter65_alkyl_sulfonate,"[#6][P,S](~[OX1])(~[OX1])O[C!H0]",Inpharmatica,1
+Filter66_c4_perfluoralkyl,C(F)(F)C(F)(F)C(F)(F)C(F)(F),Inpharmatica,1
+Filter67_S_or_O_C_triplebond_N,"[O,S]C#N",Inpharmatica,1
+Filter68_anthracene_acridine,a1aaac2cc3ccccc3cc12,Inpharmatica,1
+Filter69_thio_carbonate,"[O,S]C(=[O,S])[O,S]",Inpharmatica,1
+Filter70_AlkylCN2,*(C#N)C#N,Inpharmatica,1
+Filter71_thio_anhydride,"*C(=[O,S])[O,S]C(=[O,S])*",Inpharmatica,1
+Filter72_hydrated_di_ketone,C(=O)C([OH])[OH],Inpharmatica,1
+Filter73_thio_ketone,CC(=S)C,Inpharmatica,1
+Filter74_thiol,*[SX2H],Inpharmatica,1
+Filter75_alkyl_Br_I,"[C!H0][Br,I]",Inpharmatica,1
+Filter76_S_ester,CC(=S)O,Inpharmatica,1
+Filter77_alkyl_NO2,"[*!#7]~[#6]-,=CN(~O)(~O)",Inpharmatica,1
+Filter78_bicyclic_Imide,*~@C1C(=O)NC(=O)C(~@*)1,Inpharmatica,1
+Filter79_maleimide,[CH]1C(=O)NC(=O)[CH]=1,Inpharmatica,1
+Filter80_Thioepoxide_aziridone,"[N,S]1[C,N,S][C,N,S]1",Inpharmatica,1
+Filter81_Thiocarbamate,"S!@C(=!@[O,S])!@[#7]",Inpharmatica,1
+Filter82_pyridinium,"[c,n]1[c,n][c,n][c,n][c,n]n(C)1",Inpharmatica,1
+Filter83_per_halo_chain,"[F,Cl,Br,I]C-,=;!@C([F,Cl,Br,I])-,=;!@C([F,Cl,Br,I])",Inpharmatica,1
+Filter84_nitrogen_mustard,"[N,P,Se,S][C!H0]C[Br,Cl,I]",Inpharmatica,1
+Filter85_keto_acrylonitrile,*C(=O)C(=!@[C!H0])C#N,Inpharmatica,1
+Filter86_cyanamide,N#C[#7!$(N(C#N)=C(N)NC)],Inpharmatica,1
+Filter87_crowns,"[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[O,N]-@[#6!$(*(~@*)(~@*)~@*)]@[#6!$(*(~@*)(~@*)~@*)]-@[N,O,S]-@C",Inpharmatica,1
+Filter88_ene_sulfone,[C!H0]=CS(=O)(=O)*,Inpharmatica,1
+Filter89_hydroxylamine,"[*!$(C=O)]!@N!@[$([OX2])]",Inpharmatica,1
+Filter90_N_double_bond_S,N=!@S,Inpharmatica,1
+Filter92_trityl,*(c1ccccc1)(c1ccccc1)(c1ccccc1),Inpharmatica,1
+Filter93_acetyl_urea,C(=O)!@N!@C(=O)[#7],Inpharmatica,1
+Filter94_2_halo_pyridine,"c1nc(ccc1)[Br,I,Cl,F]",Inpharmatica,1
+aromatic NO2,O~N(=O)-c(:*):*,LINT,2
+deuterium,[2H],LINT,2
+C13,[13#6],LINT,2
+2-chloropyridine,n1c(cccc1)Cl,LINT,2
+aniline,[NH2D1]-c(:*):*,LINT,2
+"Si,B,Se atoms","[Si,B,Se]",LINT,2
+hetero imides,[!#6]-[CH2]-N1C(=O)CCC(=O)1,LINT,2
+poly ethers,O[CH2][CH2]O-!@[CH2][CH2]O,LINT,2
+acyclic imines,"[$([CX3R0]([#6])[#6]),$([CX3HR0][#6])]=[$([NX2R0][#6]),$([NX2HR0])]",LINT,2
+alkyl esters of S or P,"[S,P](=O)OC",LINT,2
+ugly P compounds,"P(=[O,S])[C,N]([C,N])[C,N]",LINT,2
+"acyclic N-,=N and not N bound to carbonyl or sulfone","[N;!$(N-[C,S]=*)]-,=;!@[N;!$(N-[C,S]=*)]",LINT,2
+acyclic N-C-N,N-!@[CX4]-!@N,LINT,2
+acyclic N-S,N-!@[SX2]-*,LINT,2
+mustards,"[N,S,O][CH2][CH2]-[F,Cl,Br,I]",LINT,2
+aldehyde,O=[C!H0],LINT,2
+"1,2-dicarbonyl not in ring",O=[CX3]-!@[CX3]=O,LINT,2
+"carbamate, T-boc Protected",NC(OC([CH3])([CH3])[CH3])=O,LINT,2
+"carbamate, CBZ Protected",NC(O[CH2]c1ccccc1)=O,LINT,2
+carbamate include di-substitued N,OC(=O)-!@[NX3],LINT,2
+acyl halide,"O=C-[F,Cl,Br,I]",LINT,2
+alkyl halide,"[CH2]-[Cl,Br,I]",LINT,2
+alpha halo carbonyl,"O=C-C-[F,Cl,Br,I]",LINT,2
+sufonyl halide,"S(=O)(=O)-[F,Cl,Br,I]",LINT,2
+N:C-SCH2 groups,[ND1]=C-!@[SX2]-[CH2D2],LINT,2
+26,N-C(=S)-N,LINT,2
+terminal vinyl,[CH2D1]=[CD2]-!@*,LINT,2
+28,S=P~*,LINT,2
+thio cyanates,S-C#N,LINT,2
+thiols,*-[S!H0],LINT,2
+thionyl,[Sv4](=O)(-!@[!#1])-!@[!#1],LINT,2
+n-haloamines,"N-[F,Cl,Br,I]",LINT,2
+N-C-Hal or cyano methyl,"N-C-[F,Cl,Br,I,$(C#N)]",LINT,2
+alpha beta-unsaturated ketones; center of Michael reactivity,"[$(C#N),$(N(~O)~O),$(C=O),$(S(=O)=O),$(C(F)(F)F),Cl][C!H0]=[C!H0]",LINT,2
+aliphatic ketone not ring and not di-carbonyl,[C;!$(C=*)][C!R](=O)[CH2D2],LINT,2
+"aliphatic ester, not lactones",C[C!R](=O)[O!R][CH2D2],LINT,2
+"long aliphatic chain, 6+",[CH2][CH2][CH2]-!@[CH2][CH2][CH2],LINT,2
+quinones,"O=[#6]1[#6]:,=[#6][#6](=O)[#6]:,=[#6]1",LINT,2
+acyclic C=C-O,C=C-!@O-*,LINT,2
+acyclic C=N-H,[NH1X2]=[C!R;!$(C(-N)(=[NH1])-N)],LINT,2
+acyclic NO not nitro,O-!@[N;!$(N(=O)=O);!$([N+](=O)[O-])],LINT,2
+42,S-S,LINT,2
+43,O~O,LINT,2
+thioester,C-C(=O)[SD2],LINT,2
+aziridine-like N in 3-membered ring,N~1~*~*1,LINT,2
+epoxides,O~1C~*1,LINT,2
+aryl iodide,I-c:*,LINT,2
+aryl bromide,Br-c:*,LINT,2
+multiple aromatic rings,a1aaa2a(a1)aaa(a2):a,LINT,2
+multiple aromatic rings,"[!#1]-,:1-:a2a(-:[!#1]:3:a1aaaa3)aaaa2",LINT,2
+S/PO3 groups,"[P,S](~O)(~O)~O",LINT,2
+adamantyl,C12CC3CC(C1)CC(C2)C3,LINT,2
+too many cyano Groups (>1),C#N.C#N,LINT,2
+too many COOH groups (>1),[CX3](=O)[OH1].[CX3](=O)[OH1],LINT,2
+amino acid,[NH2][CX4]C(=O)O,LINT,2
+chlorates,Cl~O,LINT,2
+high halogen content (>3),"[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I].[F,Cl,Br,I]",LINT,2
diff --git a/rd_filters/rd_filters.py b/rd_filters/rd_filters.py
index bd58c9d..4ab46eb 100644
--- a/rd_filters/rd_filters.py
+++ b/rd_filters/rd_filters.py
@@ -1,13 +1,15 @@
 import csv
-import functools
 import json
 import logging
 import multiprocessing as mp
+import sys
+from abc import abstractmethod
 from collections.abc import Callable, Generator, Iterable
-from dataclasses import dataclass, field
+from dataclasses import asdict, dataclass, field
+from functools import cached_property, partialmethod
 from multiprocessing import Pool
 from pathlib import Path
-from typing import Any, Self
+from typing import Any, Generic, Literal, Self, TypeVar
 
 import pkg_resources
 import typer
@@ -15,16 +17,16 @@
 from rdkit.Chem import Descriptors
 
 try:
-    from typing import Annotated
+    from typing import Annotated, Unpack
 except ImportError:
-    from typing import Annotated
+    from typing import Annotated, Unpack
 
-DEFAULT_ALERTS_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/alerts.csv"))
-DEFAULT_RULES_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/rules.json"))
 
-logger = logging.getLogger(__package__)
+_logger = logging.getLogger(__package__)
 # noinspection PyUnresolvedReferences
 _rule_fns = dict(Descriptors.descList)
+_empty_set = frozenset()
+_T_co = TypeVar("_T_co", covariant=True)
 
 
 def _read_file(path: Path) -> list[dict]:
@@ -37,67 +39,65 @@ def _read_file(path: Path) -> list[dict]:
             return json.load(f)
 
 
-@dataclass(frozen=True, slots=False, order=True)
+@dataclass(frozen=True, slots=False, order=True, kw_only=True)
 class Alert:
-    id: int
+    name: str
     group: str
     description: str
     smarts: str = field()
     priority: int
 
-    @functools.cached_property
+    @cached_property
     def mol(self: Self) -> str:
         return Chem.MolFromSmarts(self.smarts)
 
-    @property
-    def name(self: Self) -> str:
-        return f"{self.name}:{self.description.replace(' ', '-')}"
 
-
-@dataclass(frozen=True, slots=True, order=True)
+@dataclass(frozen=True, slots=True, order=True, kw_only=True)
 class Rule:
-    id: str | None
+    name: str
     property: str
     min: float
     max: float
 
-    @property
-    def name(self: Self) -> str:
-        if self.id is None:
-            return self.property
-        return self.id
-
 
-@dataclass(frozen=True, slots=True, order=True)
+@dataclass(frozen=True, slots=False, order=True, kw_only=True)
 class Input:
     smiles: str
     id: str
 
+    @cached_property
+    def mol(self: Self) -> Chem:
+        return Chem.MolFromSmiles(self.smiles)
 
-@dataclass(frozen=True, slots=True, order=True)
-class Violation:
-    smiles: str
-    id: str
-    violation: str
+    def __str__(self: Self) -> str:
+        return str(asdict(self))
 
-    @property
-    def msg(self: Self) -> str:
-        return f"{self.id}: {self.violation}"
 
+@dataclass(frozen=True, slots=True, order=True, kw_only=True)
+class Violation(Input):
 
-def read_input_file(path: Path) -> list[Input]:
-    if path.suffix in {".txt", ".smi", ".smiles"}:
-        lines = path.read_text(encoding="utf8").splitlines()
-        return [Input(s, s) for s in lines]
-    return [Input(**x) for x in _read_file(path)]
+    def __str__(self: Self) -> str:
+        return str(asdict(self))
 
+    @classmethod
+    def invalid(cls: type[Self], inp: Input) -> Self:
+        return cls(id=inp.id, smiles=inp.smiles, type="invalid", name="INVALID SMILES", data={})
 
-def read_alerts_file(path: Path) -> list[Alert]:
-    return [Alert(**x) for x in _read_file(path)]
+    @classmethod
+    def alert(cls: type[Self], inp: Input, alert: Alert, **kwargs: Unpack[dict]) -> Self:
+        data = asdict(alert) | kwargs
+        return cls(id=inp.id, smiles=inp.smiles, type="alert", name=alert.name, data=data)
 
+    @classmethod
+    def rule(cls: type[Self], inp: Input, rule: Rule, **kwargs: Unpack[dict]) -> Self:
+        data = asdict(rule) | kwargs
+        return cls(id=inp.id, smiles=inp.smiles, type="rule", name=rule.name, data=data)
 
-def read_rules_file(path: Path) -> list[Rule]:
-    return [Rule(**x) for x in _read_file(path)]
+    id: str
+    smiles: str
+    type: Literal["rule"] | Literal["alert"] | Literal["invalid"]
+    name: str
+    data: dict[str, Any]
 
 
 @dataclass(frozen=True, slots=True)
@@ -105,15 +105,6 @@ class RDFilters:
     alerts: list[Alert]
     rules: list[Rule]
 
-    @classmethod
-    def from_files(cls: type[Self], *, alerts: Path, rules: Path, exclude: set[str] | None = None) -> Self:
-        if exclude is None:
-            exclude = set()
-        return cls(
-            alerts=[a for a in read_alerts_file(alerts) if a.name not in exclude],
-            rules=[r for r in read_rules_file(rules) if r.property in exclude],
-        )
-
     def __post_init__(self: Self) -> None:
         for rule in self.rules:
             if rule.property not in _rule_fns:
@@ -123,138 +114,205 @@ def __post_init__(self: Self) -> None:
     def filter(self: Self, inputs: Iterable[Input]) -> Generator[Input]:
         for inp in inputs:
             try:
-                next(iter(self.detect(inp.smiles)))
+                next(iter(self.detect(inp)))
             except StopIteration:  # noqa: PERF203
                 yield inp
 
     def detect_all(self: Self, inputs: Iterable[Input]) -> Generator[Violation]:
         for inp in inputs:
-            ok = False
-            for msg in self.detect(inp.smiles):
-                yield Violation(inp.smiles, inp.id, msg)
-                ok = False
-            if ok:
-                yield Violation(inp.smiles, inp.id, "OK")
-
-    def detect(self: Self, smiles: str) -> Generator[str]:
-        mol = Chem.MolFromSmiles(smiles)
-        if mol is None:
-            yield "INVALID"
+            yield from self.detect(inp)
+
+    def detect(self: Self, inp: Input) -> Generator[Violation]:
+        if inp.mol is None:
+            yield Violation.invalid(inp)
             return
         for rule in self.rules:
-            value = _rule_fns[rule.property](mol)
+            value = _rule_fns[rule.property](inp.mol)
             if value < rule.min:
-                yield f"{rule.name}: {value}<{rule.min}"
+                yield Violation.rule(inp, rule, value=value, msg=f"{value} < {rule.min}")
             if value > rule.min:
-                yield f"{rule.name}: {value}>{rule.max}"
+                yield Violation.rule(inp, rule, value=value, msg=f"{value} > {rule.max}")
         for alert in self.alerts:
-            for _ in mol.GetSubstructMatches(alert.mol):
-                yield f"{alert.description}"
+            for _ in inp.mol.GetSubstructMatches(alert.mol):
+                yield Violation.alert(inp, alert)
 
 
-app = typer.Typer()
+class Io:
+    DEFAULT_ALERTS_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/alerts.csv"))
+    DEFAULT_RULES_FILE = Path(pkg_resources.resource_filename("rd_filters", "data/rules.json"))
+
+    @staticmethod
+    def read_input_file(path: Path) -> list[Input]:
+        if path.suffix in {".txt", ".smi", ".smiles"}:
+            lines = path.read_text(encoding="utf8").splitlines()
+            return [Input(s, s) for s in lines]
+        return [Input(**x) for x in _read_file(path)]
+
 
+    @staticmethod
+    def read_alerts_file(path: Path) -> list[Alert]:
+        return [
+            Alert(**({"name": x["description"]} | x))
+            for x in _read_file(path)
+        ]
 
-class Filter:
-    num_cores: int
-    out: Callable[[Violation], Any]
-    rf: RDFilters
+
+    @staticmethod
+    def read_rules_file(path: Path) -> list[Rule]:
+        return [
+            Rule(**({"name": x["property"]} | x))
+            for x in _read_file(path)
+        ]
+
+
+@dataclass(frozen=True, kw_only=True)
+class Processor(Generic[_T_co]):
+
+    @abstractmethod
+    def task(self: Self, rf: RDFilters, smiles: Input) -> _T_co:
+        raise NotImplementedError()
+
+    alerts: Path = Io.DEFAULT_ALERTS_FILE
+    rules: Path = Io.DEFAULT_RULES_FILE
+    exclude: set[str] | frozenset[str] = _empty_set
+    num_cores: int = 1
+
+    @cached_property
+    def rf(self: Self) -> RDFilters:
+        return RDFilters(
+            alerts=[a for a in Io.read_alerts_file(self.alerts) if a.name not in self.exclude],
+            rules=[r for r in Io.read_rules_file(self.rules) if r.property in self.exclude],
+        )
 
     def __call__(self: Self, data: Path) -> None:
-        def fn(task: Input) -> None:
-            for v in self.rf.detect_all([task]):
-                self.out(v)
+        inputs = Io.read_input_file(data)
+        Pool(self.num_cores).map(partialmethod(self.task, rf=self.rf), inputs)
 
-        inputs = read_input_file(data)
-        Pool(self.num_cores).map(fn, inputs)
 
+def _violation_msg_writer(v: Violation) -> None:
+    if msg := v.data.get("msg"):
+        sys.stdout.write(f"{v.id} : {v.name} : {msg}")
+    else:
+        sys.stdout.write(f"{v.id} : {v.name}")
 
-@app.command()
-def report(
-    data: Annotated[
-        Path,
-        typer.Argument(
-            dir_okay=False,
-            help="""
-            Can be .smi/.smiles/.txt containing SMILES,
-            a JSON file like [{"smiles": "O", "id": "oxygen"}],
-            'or a CSV file with columns "smiles" and "id".
-            """,
-        ),
-    ],
-    alerts: Annotated[
-        Path,
-        typer.Option(
-            DEFAULT_ALERTS_FILE, dir_okay=False, readable=True, help="Path to alerts.csv file"
-        ),
-    ],
-    rules: Annotated[
-        Path,
-        typer.Option(
-            DEFAULT_RULES_FILE, dir_okay=False, readable=True, help="Path to rules.json file"
-        ),
-    ],
-    exclude: Annotated[
-        str,
-        typer.Option(
-            "", help="Comma-separated list of alert groups and rule properties to exclude"
-        ),
-    ],
-    num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)],
-) -> None:
-    exclude = {s.strip() for s in exclude.split(",")}
-    rf = RDFilters.from_files(alerts=alerts, rules=rules, exclude=exclude)
+def _violation_json_writer(v: Violation) -> None:
+    sys.stdout.write(str(v))
 
-    def fn(task: Input) -> None:
-        for v in rf.detect_all([task]):
-            print(v.msg)
+def _input_id_writer(inp: Input) -> None:
+    sys.stdout.write(inp.id)
 
-    inputs = read_input_file(data)
-    Pool(num_cores).map(fn, inputs)
+def _input_json_writer(inp: Input) -> None:
+    sys.stdout.write(str(inp))
 
 
-@app.command(name="filter")
-def filter_ok(
+@dataclass(frozen=True, kw_only=True)
+class ViolationPrinter(Processor):
+    writer: Callable[[Violation], Any] = _violation_msg_writer
+
+    def task(self: Self, rf: RDFilters, input_: Input) -> None:
+        for v in rf.detect_all([input_]):
+            self.writer(v)
+
+
+@dataclass(frozen=True, kw_only=True)
+class FilterPrinter(Processor):
+    writer: Callable[[Input], Any] = _input_id_writer
+
+    def task(self: Self, rf: RDFilters, input_: Input) -> None:
+        for v in rf.filter([input_]):
+            self.writer(v)
+
+
+class _Args:
     data: Annotated[
         Path,
         typer.Argument(
             dir_okay=False,
             help="""
-            Can be .smi/.smiles/.txt containing SMILES,
-            a JSON file like [{"smiles": "O", "id": "oxygen"}],
-            'or a CSV file with columns "smiles" and "id".
-            """,
+                    Can be .smi/.smiles/.txt containing SMILES,
+                    a JSON file like [{"smiles": "O", "id": "oxygen"}],
+                    'or a CSV file with columns "smiles" and "id".
+                    """,
         ),
-    ],
+    ] = Path("input.smiles")
     alerts: Annotated[
         Path,
         typer.Option(
-            DEFAULT_ALERTS_FILE, dir_okay=False, readable=True, help="Path to alerts.csv file"
+            Io.DEFAULT_ALERTS_FILE, dir_okay=False, readable=True, help="Path to alerts.csv file"
         ),
-    ],
+    ] = Io.DEFAULT_ALERTS_FILE
     rules: Annotated[
         Path,
         typer.Option(
-            DEFAULT_RULES_FILE, dir_okay=False, readable=True, help="Path to rules.json file"
+            Io.DEFAULT_RULES_FILE, dir_okay=False, readable=True, help="Path to rules.json file"
         ),
-    ],
+    ] = Io.DEFAULT_RULES_FILE
     exclude: Annotated[
         str,
         typer.Option(
             "", help="Comma-separated list of alert groups and rule properties to exclude"
         ),
-    ],
-    num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)],
-) -> None:
-    exclude = {s.strip() for s in exclude.split(",")}
-    rf = RDFilters.from_files(alerts=alerts, rules=rules, exclude=exclude)
+    ] = ""
+    violation_as_json: Annotated[
+        bool,
+        typer.Option(
+            False, "--json", help="Write full JSON data per violation instead of message"
+        )
+    ] = False
+    input_as_json: Annotated[
+        bool,
+        typer.Option(
+            False, "--json", help="Write JSON string that includes SMILES, rather than just the ID"
+        )
+    ] = False
+    num_cores: Annotated[int, typer.Option(1, min=1, max=mp.cpu_count(), allow_dash=True)] = 1
+
 
-    def fn(task: Input) -> None:
-        for v in rf.filter([task]):
-            print(v.id)
+app = typer.Typer()
 
-    inputs = read_input_file(data)
-    Pool(num_cores).map(fn, inputs)
+@app.command(
+    name="report",
+    short_help="",
+    help="",
+)
+def report(
+    data = _Args.data,  # noqa: ANN001
+    alerts = _Args.alerts,  # noqa: ANN001
+    rules = _Args.rules,  # noqa: ANN001
+    exclude = _Args.exclude,  # noqa: ANN001
+    as_json = _Args.violation_as_json,  # noqa: ANN001
+    num_cores = _Args.num_cores,  # noqa: ANN001
+) -> None:
+    processor = ViolationPrinter(
+        alerts=alerts,
+        rules=rules,
+        exclude={s.strip() for s in exclude.split(",")},
+        num_cores=num_cores,
+        writer=_violation_json_writer if as_json else _violation_msg_writer,
+    )
+    processor(data)
+
+@app.command(
+    name="filter",
+    short_help="",
+    help="",
+)
+def filter_ok(
+    data = _Args.data,  # noqa: ANN001
+    alerts = _Args.alerts,  # noqa: ANN001
+    rules = _Args.rules,  # noqa: ANN001
+    exclude = _Args.exclude,  # noqa: ANN001
+    as_json = _Args.input_as_json,  # noqa: ANN001
+    num_cores = _Args.num_cores,  # noqa: ANN001
+) -> None:
+    processor = FilterPrinter(
+        alerts=alerts,
+        rules=rules,
+        exclude={s.strip() for s in exclude.split(",")},
+        num_cores=num_cores,
+        writer=_input_json_writer if as_json else _input_id_writer
+    )
+    processor(data)
 
 
 if __name__ == "__main__":
diff --git a/tests/test_rdfilter.py b/tests/test_rdfilter.py
index 2b40caf..01e7385 100644
--- a/tests/test_rdfilter.py
+++ b/tests/test_rdfilter.py
@@ -2,7 +2,7 @@
 
 import pytest
 
-from rd_filters import rd_filters
+from rd_filters.rd_filters import Input, Io, RDFilters
 
 # these just stop on the first filter
 _lint_data = {
@@ -60,13 +60,20 @@
 
 class Test:
     def test_detect(self: Self) -> None:
-        alerts = rd_filters.read_alerts_file(rd_filters.DEFAULT_ALERTS_FILE)
-        rf = rd_filters.RDFilters(alerts, [])
+        alerts = Io.read_alerts_file(Io.DEFAULT_ALERTS_FILE)
+        rf = RDFilters(alerts, [])
         for smiles, expected in _lint_data.items():
-            actual = set(rf.detect(smiles))
+            inp = Input(id=smiles, smiles=smiles)
+            actual = set({dct.name for dct in rf.detect(inp)})
             assert actual == expected, f"Invalid result for '{smiles}'"
             # assert {r.msg for r in actual} == [f"{y}: {x}" for x, y in _inpharmatica_data]
 
+    def test_filter(self: Self) -> None:
+        pass  # TODO
+
+    def test_(self: Self) -> None:
+        pass  # TODO
+
 
 if __name__ == "__main__":
     pytest.main()