MonarchInit/C3PO huggingface dataset:
Compound: 2-amino-1-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide
SMILES: C1COCCN1CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC6=C(C=C5)OCO6)N
Compound: 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILES: C1=CC=C(C(=C1)C2=NN=C(O2)COC3=CC=CC=C3Cl)Br
Compound: 4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
SMILES: COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2)OC
Compound: 3-[5-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1,3,4-oxadiazol-2-yl]-1-benzopyran-2-one
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C3=NN=C(O3)C4=CC5=CC=CC=C5OC4=O
Compound: 4-[[[[8-[(1-tert-butyl-5-tetrazolyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2CC3CCC(C2)N3CC4=NN=NN4C(C)(C)C
Compound: 1-(4-bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]-1,4-diazepane
SMILES: COC1=CC=CC(=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br
Compound: LSM-16463
SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)C4=NN=CN4C=N3
Compound: N-butyl-4-phenoxy-1-butanamine
SMILES: CCCCNCCCCOC1=CC=CC=C1
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methylideneamino]-4-triazolecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)NN=CC5=CC=C(C=C5)F
Compound: 2-[(2-pyridinylthio)methyl]-1H-quinazolin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=CC=CC=N3
Compound: 1-(2-methylprop-2-enyl)-3-[(5-nitro-2-oxo-3-indolyl)amino]thiourea
SMILES: CC(=C)CNC(=S)NNC1=C2C=C(C=CC2=NC1=O)[N+](=O)[O-]
Compound: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(9H-fluoren-2-yl)ethanone
SMILES: CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=CC(=CC=C5)N
Compound: N-(2-adamantyl)-4-bromo-1-methyl-3-pyrazolecarboxamide
SMILES: CN1C=C(C(=N1)C(=O)NC2C3CC4CC2CC(C3)C4)Br
Compound: [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5
Compound: 4,5-dimethoxy-2-[[(2-methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC
Compound: 6-amino-4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(N(N=C3C)C4=CC=CC=C4)C
Compound: N-(4-chlorophenyl)carbamic acid 2-pyridinylmethyl ester
SMILES: C1=CC=NC(=C1)COC(=O)NC2=CC=C(C=C2)Cl
Compound: N5-(2,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidine-4,5-diamine
SMILES: C1=CC(=C(C=C1Cl)Cl)NN2C=NC3=NN=CC3=C2N
Compound: 1-[2-(4-methoxyphenyl)-4-[oxo(1-pyrrolidinyl)methyl]-3-thiazolidinyl]-1-propanone
SMILES: CCC(=O)N1C(CSC1C2=CC=C(C=C2)OC)C(=O)N3CCCC3
Compound: 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone
SMILES: CC1=CC(=C(N1CC2CCCO2)C)C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4
Compound: cyclopropyl-[5-[[4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILES: CC1CC2=C(N1C(=O)C3CC3)C=CC(=C2)S(=O)(=O)N4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=CC=C6OC
Compound: N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
SMILES: C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F
Compound: 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea
SMILES: CC1=CC(=C(C=C1)NC(=S)N(CCN(C)C)CC2=CC=CS2)C
Compound: 5-amino-6-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-ethylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES: CCOC1=CC(=CC2=C(N3C(=NC2=O)SC(=N3)S(=O)(=O)CC)N)C=CC1=O
Compound: 2-[(5,6-dimethyl-2-propyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILES: CCCC1=NC2=C(C(=C(S2)C)C)C(=N1)SCC(=O)N3C(CC4=CC=CC=C43)C
Compound: 2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-2H-pyridine
SMILES: CN1C=C(C=C(C1C2=CC=CC=C2OC)[N+](=O)[O-])[N+](=O)[O-]
Compound: dTDP-4-dimethylamino-4,6-dideoxy-5-C-methyl-L-mannose
SMILES: CN(C)[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)OC1(C)C
Compound: LSM-16483
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3C)C(=O)NCCN4CCOCC4
Compound: 6-amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: COC1=CC=CC(=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CSC=C4
Compound: N-[1-(2-furanyl)-3-oxo-3-(1-pyrrolidinyl)prop-1-en-2-yl]-2-thiophenecarboxamide
SMILES: C1CCN(C1)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CS3
Compound: 2-[5-[(2-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C(=O)C(=CC2=C(C(=CC=C2)[N+](=O)[O-])O)SC1=O
Compound: N-methyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3-oxolanecarboxamide
SMILES: CN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C3CCOC3
Compound: 2-[(3-chloro-1-benzothiophen-2-yl)methylideneamino]phenol
SMILES: C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=CC=C3O)Cl
Compound: N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
SMILES: C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)N=CN3)F
Compound: 2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester
SMILES: COC1=C(C=C(C=C1)C(=O)COC(=O)CN2CC(=O)OC3=CC=CC=C32)Br
Compound: 2-oxo-2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-N-(2-pyridinyl)acetamide
SMILES: C1=CC=NC(=C1)NC(=O)C(=O)NNC=C2C=CC=CC2=O
Compound: 3-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SMILES: CC1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC=C
Compound: 3-[[1-[1-(methylthio)propan-2-yl]-4-piperidinyl]oxy]-N-(2-pyridinylmethyl)benzamide
SMILES: CC(CSC)N1CCC(CC1)OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3
Compound: 2-(4-chloro-2-methylphenoxy)-6-(4-fluorophenyl)-3-pyridinecarbonitrile
SMILES: CC1=C(C=CC(=C1)Cl)OC2=C(C=CC(=N2)C3=CC=C(C=C3)F)C#N
Compound: N-[2-(dipropylamino)ethyl]-5-ethyl-4-oxo-2-thieno[3,2-c]quinolinecarboxamide
SMILES: CCCN(CCC)CCNC(=O)C1=CC2=C(S1)C3=CC=CC=C3N(C2=O)CC
Compound: 2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
SMILES: C1=CC=C(C=C1)C(C(=O)C(C#N)C2=NC3=CC=CC=C3S2)Cl
Compound: 6-bromo-9-ethyl-3,4-dihydro-2H-carbazol-1-one oxime
SMILES: CCN1C2=C(C=C(C=C2)Br)C3=C1C(=NO)CCC3
Compound: 1,3-benzodioxole-5-carboxylic acid [[amino-(4-bromophenyl)methylidene]amino] ester
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)ON=C(C3=CC=C(C=C3)Br)N
Compound: 3-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)-2-propenamide
SMILES: COC1=NC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)F
Compound: 4,7-dimethoxy-1-methyl-2-quinolinone
SMILES: CN1C2=C(C=CC(=C2)OC)C(=CC1=O)OC
Compound: 2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)N5CCOCC5
Compound: 3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILES: C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)CN(CC4=CC=CS4)C(=O)NC5=CC=C(C=C5)F
Compound: 4-hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3-quinazolinyl)-3-quinolinecarboxamide
SMILES: CCCC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C4=CC=CC=C4N(C3=O)C)O
Compound: 3-(3,5-dimethoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC(=CC(=C1)C2=NNC(=S)N2CC=C)OC
Compound: LSM-16505
SMILES: CC1=CC2=C(C=C1)N(C(=C2[NH2+][O-])O)CC3=CC=C(C=C3)Cl
Compound: N-phenyl-1-propan-2-yl-2-benzimidazolamine
SMILES: CC(C)N1C2=CC=CC=C2N=C1NC3=CC=CC=C3
Compound: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(3-chloroanilino)-3-pyridazinone
SMILES: C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(C=N3)NC4=CC(=CC=C4)Cl)Cl
Compound: 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
SMILES: CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O
Compound: 4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propyl-3-pyrazolone
SMILES: CCCC1=NN(C(=O)C1=CN(C)C)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline
SMILES: CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
Compound: 2,6-dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester
SMILES: COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=C(C=CC=C3Cl)Cl
Compound: N4-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]methylideneamino]-5-nitropyrimidine-2,4-diamine
SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=NNC3=NC(=NC=C3[N+](=O)[O-])N
Compound: 4-[3-(2-furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C4=CC=CO4)C5=CC(=CC=C5)[N+](=O)[O-]
Compound: 6-bromo-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-propyl-4-quinazolinone
SMILES: CCCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F
Compound: 4-(diethylamino)benzoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3
Compound: 2-[(2-pyridinylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one
SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=O)N=C(N3)CSC4=CC=CC=N4
Compound: 2-chloro-N-(1,2-diphenylethyl)acetamide
SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CCl
Compound: 5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamide
SMILES: CC1=CC2=CC=CC=C2N1CCNC(=O)C3=CC=C(O3)Br
Compound: N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)F
Compound: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide
SMILES: CC(C)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
Compound: (6-bromo-2-pyridin-4-yl-4-quinolinyl)-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=NC=C5
Compound: 2-chloro-N-(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)acetamide
SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)NC(=O)CCl)C
Compound: dTDP-4-oxo-5-C-methyl-L-rhamnose
SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3OC(C)(C)C(=O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O
Compound: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)N
Compound: N-[2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-oxoethyl]-2-furancarboxamide
SMILES: COC1=CC=CC(=CNNC(=O)CNC(=O)C2=CC=CO2)C1=O
Compound: 1-(2-benzofuranyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone
SMILES: CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC4=CC=CC=C4O3
Compound: LSM-16526
SMILES: C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)NC(=O)C5=CC=C(C=C5)Br
Compound: 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide
SMILES: CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SCC(=O)NC4=CC(=CC=C4)OC
Compound: 2-benzamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
SMILES: C1CC2=C(C3=CC=CC=C31)SC(=C2C(=O)N)NC(=O)C4=CC=CC=C4
Compound: 3-[[4-(2-benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone
SMILES: CN(C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C4=CC5=CC=CC=C5O4
Compound: 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C
Compound: 2-chloro-1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]ethanone
SMILES: CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CCl
Compound: 2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester
SMILES: CC(C)NC(=O)COC(=O)C1=CC=CC=C1OC2=CC=CC=C2
Compound: 5-nitro-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamide
SMILES: C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]
Compound: [2-(2-methoxyethyl)-1-piperidinyl]-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-3-isoxazolyl]methanone
SMILES: COCCC1CCCCN1C(=O)C2=NOC(=C2)COC3=CC=C(C=C3)N4C=NC=N4
Compound: 2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILES: CCOC1=CC=CC=C1C(=O)NC2=NN=C(S2)COC
Compound: 3-(1,3-benzothiazol-2-yl)-4-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-3-butenoic acid
SMILES: CC1=NN(C(=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)Cl)C4=CC=C(C=C4)F
Compound: 5-imino-1-phenyl-4-(phenylhydrazinylidene)-3-pyrazolamine
SMILES: C1=CC=C(C=C1)NN=C2C(=NN(C2=N)C3=CC=CC=C3)N
Compound: 4-(4-bromophenyl)-N-(2-furanylmethylideneamino)-2-thiazolamine
SMILES: C1=COC(=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)Br
Compound: 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)acetamide
SMILES: CC1=C(C(=CC=C1)NCC(=O)NC2=CC=CC(=C2C)C)C
Compound: N-(3-methoxyphenyl)-4-[(2-methyl-1-oxopropyl)amino]benzamide
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC
Compound: 4-[[7-methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid
SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)C(=O)O
Compound: N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl
Compound: 5-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)C=C3C(=O)NC(=O)NC3=O
Compound: 3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=CC=C2
Compound: 3-[2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid
SMILES: CCN1C(=O)C(=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)O)SC1=S
Compound: (2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#C[C@@H](C)O)O[C@H]1CN(C)CC3CCOCC3)[C@H](C)CO
Compound: 2-cyclopropyl-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3C)O[C@@H]1CN(C)C(=O)CC4CC4)[C@H](C)CO
Compound: N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=CC=C3OC)O[C@@H]1CN(C)C(=O)C4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: 1-[[(2S,3R)-8-(2-cyclopropylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CC3)O[C@@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
Compound: 6-methyl-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
SMILES: CC1=NN2C(=NC1=O)NNC2=S
Compound: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
SMILES: C1OC2=C(O1)C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3O
Compound: N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC(=O)NCC4=CC=CO4
Compound: N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide
SMILES: CS(=O)(=O)NC1=C2C=CC=C3C2=C(CC3)C=C1
Compound: 5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine
SMILES: CC1=NC2=C(C=NN2C(=C1)SCC=C)C3=CC=CC=C3
Compound: 4-[[(2,4-difluoroanilino)-oxomethyl]amino]benzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)NC2=C(C=C(C=C2)F)F
Compound: 4-[3-[[(2,5-dichloroanilino)-methyliminomethyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
SMILES: CN=C(NC1=C(C=CC(=C1)Cl)Cl)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC
Compound: acetic acid [2-(2-methylphenyl)-4-oxo-3,1-benzoxazin-7-yl] ester
SMILES: CC1=CC=CC=C1C2=NC3=C(C=CC(=C3)OC(=O)C)C(=O)O2
Compound: 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide
SMILES: CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2OC)COC3=CC=CC=C3C
Compound: N-[4-(9H-fluoren-9-yl)-1-piperazinyl]-1-pyridin-4-ylethanimine
SMILES: CC(=NN1CCN(CC1)C2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=NC=C5
Compound: 1-(3,5-dimethylphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
SMILES: CC1=CC(=CC(=C1)NC(=O)NC2CC3CCCC(C2)N3CC=C)C
Compound: LSM-16561
SMILES: CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)O)OC)C#N
Compound: 3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC3=CC=CC(=C3C)C
Compound: 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine
SMILES: CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)N
Compound: N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2,5-dimethyl-3-furancarboxamide
SMILES: CC1=CC(=C(O1)C)C(=O)NN=CC(=CC2=CC=CC=C2)Br
Compound: N-propan-2-ylcarbamic acid [1-(4-methyl-2-phenyl-5-thiazolyl)ethylideneamino] ester
SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C(=NOC(=O)NC(C)C)C
Compound: 3-[[3-(4-morpholinyl)-1,4-dioxo-2-naphthalenyl]amino]benzoic acid
SMILES: C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC(=C4)C(=O)O
Compound: 5-bromo-N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]-2-furancarboxamide
SMILES: C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(O4)Br
Compound: N,N-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester
SMILES: CC1=CC(=CC(=C1OC(=O)N(C)C)C)C(=O)CS(=O)(=O)C2=CC=CC=C2
Compound: N-[3-[4-(4-fluorophenyl)-1-piperazinyl]-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5
Compound: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC=CO4
Compound: LSM-16571
SMILES: CC(=O)C1C(N(C(=O)C1=O)C2=NC=C(C=C2)Br)C3=CC=C(C=C3)OC
Compound: N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide
SMILES: CCN(CC)C(=O)C1=CC=C(S1)C2=CC=CS2
Compound: 3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S
Compound: methyl 4-[1-(furan-2-ylmethyl)-3-(4-methoxybenzoyl)-4,5-dioxopyrrolidin-2-yl]benzoate
SMILES: COC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=C(C=C4)C(=O)OC
Compound: 1-[[4-(2,4,6-trimethylphenyl)-1-piperazinyl]sulfonyl]azepane
SMILES: CC1=CC(=C(C(=C1)C)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)C
Compound: N-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-carboxamide
SMILES: C1COC2=C1C=C(C=C2)C(=O)NC(=O)C3=CC=CC=C3O
Compound: 6-(3-bromophenyl)-2-methyl-3-pyridinecarboxylic acid
SMILES: CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)O
Compound: 3-cyclohexyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]urea
SMILES: C1CCC(CC1)NC(=O)N(CCN2CCCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5
Compound: LSM-16579
SMILES: C1CC2CC1C3C2SC4=C(C3C5=CC=CC=C5)SC(=O)N4
Compound: 7-methyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolinecarbonitrile
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=C(C=CC(=C4)C)C=C3C#N
Compound: N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide
SMILES: C1CN(CCN1CC2=CC=CO2)C(=S)NC3=CC4=C(C=C3)OCO4
Compound: 7-(4-methoxyphenyl)-2-(1-pyrrolyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)N4C=CC=C4
Compound: 1-(5-methyl-2-furanyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione
SMILES: CC1=CC=C(O1)C2C3=C(C(=O)N2C4=NN=C(S4)C(C)C)OC5=CC=CC=C5C3=O
Compound: N-cycloheptyl-2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzamide
SMILES: C1CCCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
Compound: 1,3-dimethyl-5-[[5-(phenylthio)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CN1C(=O)C(=CC2=CC=C(O2)SC3=CC=CC=C3)C(=O)N(C1=O)C
Compound: 2-(4-chlorophenyl)-N-[4-(difluoromethylthio)phenyl]acetamide
SMILES: C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)SC(F)F)Cl
Compound: 2-[(3-chlorophenyl)methoxy]-3-methylquinoxaline
SMILES: CC1=NC2=CC=CC=C2N=C1OCC3=CC(=CC=C3)Cl
Compound: 4-[3-(4-fluorophenyl)-8-methoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-3-penten-2-one
SMILES: CC(=CC(=O)C)N1C(C2CCC3=C(C2=N1)C=C(C=C3)OC)C4=CC=C(C=C4)F
Compound: 4-[(4-chloro-1-naphthalenyl)oxy]-5-methoxy-2-(2-pyridinyl)pyrimidine
SMILES: COC1=CN=C(N=C1OC2=CC=C(C3=CC=CC=C32)Cl)C4=CC=CC=N4
Compound: 2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILES: C1=CC(=CC=C1CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl
Compound: N-[(4-ethylanilino)-sulfanylidenemethyl]-3-methylbutanamide
SMILES: CCC1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C
Compound: 5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine
SMILES: C1CC(OC1)CNC2=NN=C(CS2)C3=C(C=CC(=C3)F)F
Compound: 3-chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione
SMILES: C1COCCN1C2=C(C(=O)N(C2=O)C3=CC=CC=C3Cl)Cl
Compound: N-[(3-chloro-4-fluoroanilino)-oxomethyl]-4-methyl-5-thiadiazolecarboxamide
SMILES: CC1=C(SN=N1)C(=O)NC(=O)NC2=CC(=C(C=C2)F)Cl
Compound: 4,5-diphenyl-1,5-dihydroimidazol-2-one
SMILES: C1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=CC=C3
Compound: 2-(2,4-dichlorophenoxy)-N-(2-furanylmethyl)acetamide
SMILES: C1=COC(=C1)CNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Compound: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide
SMILES: CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: 3-(4-fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: COC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=C(C=C4)F
Compound: N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)C(F)(F)F
Compound: 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-butanone
SMILES: CCCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SC
Compound: 2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
SMILES: CCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C
Compound: LSM-16602
SMILES: CCCCN1CC2=C(C1=O)N=C3C=C(NN3C2=O)C4=CC=CO4
Compound: 2,3-diphenylpyrazine
SMILES: C1=CC=C(C=C1)C2=NC=CN=C2C3=CC=CC=C3
Compound: 4-(trifluoromethyl)benzoic acid [1-(2,4-dimethyl-5-oxazolyl)ethylideneamino] ester
SMILES: CC1=C(OC(=N1)C)C(=NOC(=O)C2=CC=C(C=C2)C(F)(F)F)C
Compound: 1-propylsulfonyl-4-(2-pyridinyl)piperazine
SMILES: CCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=N2
Compound: 5-methyl-N-(5-methyl-3-isoxazolyl)-3-isoxazolecarboxamide
SMILES: CC1=CC(=NO1)C(=O)NC2=NOC(=C2)C
Compound: N-(1,3-benzodioxol-5-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4
Compound: N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide
SMILES: CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC)[N+](=O)[O-]
Compound: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILES: CC1=CC(=CC=C1)CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCCC5=CC=CC=C54
Compound: 2-(methylthio)-7-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: CSC1=NN2C(=CC=NC2=N1)C3=CC=C(C=C3)C4=CC=CC=C4
Compound: 3-[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-oxolanone
SMILES: CC1=C(SC2=C1C(=NC(=N2)C)SC3CCOC3=O)C
Compound: 2-(4-chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC(=O)COC3=CC(=C(C=C3)Cl)C
Compound: dTDP-beta-L-mycarose
SMILES: C[C@@H]1O[C@@H](C[C@@](C)(O)[C@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Compound: 3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide
SMILES: CCC12CC3CC(C1)(CC(C3)C2)C(=O)NC4=NNN=N4
Compound: N'-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide
SMILES: CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NNC(=O)C4=CC=CO4
Compound: N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide
SMILES: CC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=N3
Compound: N-(1H-benzimidazol-2-yl)-3-phenylbutanamide
SMILES: CC(CC(=O)NC1=NC2=CC=CC=C2N1)C3=CC=CC=C3
Compound: 2-(4-ethoxyanilino)-3-methoxynaphthalene-1,4-dione
SMILES: CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)OC
Compound: 3-[(2-fluorophenyl)methyl]-5-[(5-methyl-2-furanyl)methylidene]imidazolidine-2,4-dione
SMILES: CC1=CC=C(O1)C=C2C(=O)N(C(=O)N2)CC3=CC=CC=C3F
Compound: 2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]phenyl]acetonitrile
SMILES: C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F
Compound: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide
SMILES: C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]
Compound: 2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide
SMILES: CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC=CC(=N4)C
Compound: 2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide
SMILES: CC1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=CC=C3C
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-ethoxyphenyl)methylideneamino]-5-[(4-methyl-1-piperidinyl)methyl]-4-triazolecarboxamide
SMILES: CCOC1=CC=CC=C1C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC(CC4)C
Compound: 6-methoxy-3-[[[1-(2-methoxyethyl)-5-tetrazolyl]methyl-(3-pyridinylmethyl)amino]methyl]-1H-quinolin-2-one
SMILES: COCCN1C(=NN=N1)CN(CC2=CN=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O
Compound: 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-1H-indole
SMILES: CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)C4=C(NC5=CC=CC=C54)C
Compound: 4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazole
SMILES: CCS(=O)(=O)C1=NC(=C(S1)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 5-(4-chloroanilino)-3-oxo-4-isothiazolecarbonitrile
SMILES: C1=CC(=CC=C1NC2=C(C(=O)NS2)C#N)Cl
Compound: 4-(2,4-dichlorophenoxy)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester
SMILES: C1=CC=C(C=C1)CNC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl
Compound: N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-(1-piperidinyl)-3-pyridinecarboxamide
SMILES: COC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)C3=CN=C(C=C3)N4CCCCC4
Compound: N-(3,5-dichlorophenyl)-2-(methanesulfonamido)benzamide
SMILES: CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC(=C2)Cl)Cl
Compound: N-[1-(4-butylphenyl)ethylideneamino]-2-methyl-6-(4-morpholinyl)-4-pyrimidinamine
SMILES: CCCCC1=CC=C(C=C1)C(=NNC2=NC(=NC(=C2)N3CCOCC3)C)C
Compound: N-(4-chlorophenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
SMILES: CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC3=CC=C(C=C3)Cl
Compound: N-[3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C(=O)NCC3=CN=CC=C3
Compound: N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILES: CC1=CN2C(=NC(=O)CC2(C)C(=O)N(CC(=O)NC3CCCC3)C4=CC=CC=C4C)C=C1
Compound: N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)-3-pyridinecarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CN=C(C=C2)N3C=NC=N3)F
Compound: [2-(4-propylphenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=N5
Compound: 2,5-dichloro-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SMILES: CC1=CC=CC(=C1)C2=NOC(=N2)CN(C)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
Compound: 2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-phenylacetamide
SMILES: C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3
Compound: N-(4-methylphenyl)-4-oxo-4-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylhydrazo]butanamide
SMILES: CC1=CC=C(C=C1)NC(=O)CCC(=O)NNC=C2C=CC=C(C2=O)CC=C
Compound: 6-(4-hydroxy-3-methoxyphenyl)-4-methoxy-1,3-dimethyl-8-cyclohepta[c]furanone
SMILES: CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC(=C(C=C3)O)OC)OC
Compound: 1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol
SMILES: C1CC(CC=C1)COCC(CN2C=NC3=CC=CC=C32)O
Compound: N-(4-methoxyphenyl)carbamic acid (9-fluorenylideneamino) ester
SMILES: COC1=CC=C(C=C1)NC(=O)ON=C2C3=CC=CC=C3C4=CC=CC=C42
Compound: 3-(1-phenyl-4-pyrazolyl)-2-propenoic acid ethyl ester
SMILES: CCOC(=O)C=CC1=CN(N=C1)C2=CC=CC=C2
Compound: 7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
SMILES: CC1=CC(=CC=C1)N2C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CSC5=N4
Compound: N,N,4-trimethyl-2-[(1-oxo-3-phenylprop-2-enyl)amino]-5-thiazolecarboxamide
SMILES: CC1=C(SC(=N1)NC(=O)C=CC2=CC=CC=C2)C(=O)N(C)C
Compound: 1-phenyl-5-[1-(phenylhydrazo)propylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)NNC3=CC=CC=C3
Compound: 1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide
SMILES: C1CN(CCC1C(=O)N)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl
Compound: N-(3-methoxyphenyl)-4-(1-oxopropylamino)benzamide
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC
Compound: 2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester
SMILES: CCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC=CS3
Compound: N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide
SMILES: CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)NC(=O)CSC3=NC4=C(CCC5=CC=CC=C54)C(=N3)C(F)(F)F)C
Compound: (1-tert-butyl-5-phenyl-3-pyrrolyl)-phenylmethanone
SMILES: CC(C)(C)N1C=C(C=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Compound: 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)O
Compound: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester
SMILES: CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=COCCO2
Compound: N-(2-phenylphenyl)-2-pyrazinecarboxamide
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=NC=CN=C3
Compound: 2-[[4-(2-furanylmethyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide
SMILES: CC1=CSC(=N1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C
Compound: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILES: CC(C)(C)C(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3
Compound: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(S2)Cl)S1)C)C
Compound: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CC=CS3
Compound: 5-methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone
SMILES: CC1=NN(C(=O)C1=CNC2=CC3=CC=CC=C3N=C2)C4=CC=CC=C4
Compound: N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC=CC=C2
Compound: 2-(2-furanyl)-3-(6-methyl-2-pyridinyl)-4-quinazolinone
SMILES: CC1=NC(=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4
Compound: (2R,3R)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
SMILES: C1=CC=C(C=C1)NN=CC(=NNC2=CC=CC=C2)[C@H]([C@@H](CO)O)O
Compound: 5-(6-chloro-3-pyridinyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILES: COC1=CC=CC(=C1)C2=NOC(=N2)C3=CN=C(C=C3)Cl
Compound: 6-(nitrosomethylidene)-N-(2-oxolanylmethyl)-1H-pyridine-3-carboxamide
SMILES: C1CC(OC1)CNC(=O)C2=CNC(=CN=O)C=C2
Compound: [3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILES: COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)C4=CC=CS4
Compound: 4-hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)C
Compound: 2-chloro-N-[4-(2-furanyl)but-3-en-2-ylideneamino]benzamide
SMILES: CC(=NNC(=O)C1=CC=CC=C1Cl)C=CC2=CC=CO2
Compound: 6-[[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]methylidene]-2-prop-2-enyl-1-cyclohexa-2,4-dienone
SMILES: CC1=NN=C(N1NC=C2C=CC=C(C2=O)CC=C)C
Compound: N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide
SMILES: CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC(=C(C=C3)OC)OC)O
Compound: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide
SMILES: C1CC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C4CC4
Compound: N-(2-methoxyphenyl)-N-[2-oxo-2-[(2-oxo-1-naphthalenylidene)methylhydrazo]ethyl]methanesulfonamide
SMILES: COC1=CC=CC=C1N(CC(=O)NNC=C2C(=O)C=CC3=CC=CC=C32)S(=O)(=O)C
Compound: N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
SMILES: C1=CC(=CN=C1)C(=O)NC2=NN=C(S2)C(F)(F)F
Compound: 2-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester
SMILES: CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C
Compound: 3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
SMILES: CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NN(C=CC3=O)C4=CC=CC=C4
Compound: 1-(4-fluorophenyl)-N-phenylmethanimine oxide
SMILES: C1=CC=C(C=C1)[N+](=CC2=CC=C(C=C2)F)[O-]
Compound: 2-amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
SMILES: C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Br)N)C#N
Compound: (2,6-difluorophenyl)-[4-(5-fluoro-2-methyl-1-benzimidazolyl)-1-piperidinyl]methanone
SMILES: CC1=NC2=C(N1C3CCN(CC3)C(=O)C4=C(C=CC=C4F)F)C=CC(=C2)F
Compound: 2-[[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC(=N3)C
Compound: N2,N6-bis[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)C2=NC(=CC=C2)C(=O)NC3=CC=C(C=C3)N(C)C
Compound: N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C=O)Cl
Compound: 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester
SMILES: COCC1=C(C=C(C(=S)N1)C#N)C(=O)OC
Compound: 4-(dipropylsulfamoyl)-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CSC
Compound: 2-bromo-N-[2-(1,3,3-trimethyl-2-indolylidene)ethylideneamino]benzamide
SMILES: CC1(C2=CC=CC=C2N(C1=CC=NNC(=O)C3=CC=CC=C3Br)C)C
Compound: N,N-dimethylcarbamothioic acid O-[4-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-2,6-dimethylphenyl] ester
SMILES: CC1=CC(=CC(=C1OC(=S)N(C)C)C)C(=O)CSC2=CC=C(C=C2)Cl
Compound: 4-chloro-N-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]benzamide
SMILES: C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl
Compound: 5-[[3-(difluoromethylthio)phenyl]methyl]-2-[2-(2-pyridinylmethylidene)hydrazinyl]-4-thiazolone
SMILES: C1=CC=NC(=C1)C=NNC2=NC(=O)C(S2)CC3=CC(=CC=C3)SC(F)F
Compound: N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinamine
SMILES: CC1=CC=C(O1)C2=C(N3C=CC=NC3=N2)NC4=CC5=C(C=C4)OCO5
Compound: N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide
SMILES: CN1CCC2=C(C3=CC=CC=C3N=C21)NC(=O)CN4CCCC4
Compound: N-[1-(3-acetamidophenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
SMILES: CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC(=CC=C3)NC(=O)C
Compound: 3-(5-methoxy-2,2-dimethyl-1-benzopyran-8-yl)-3-oxopropanoic acid
SMILES: CC1(C=CC2=C(C=CC(=C2O1)C(=O)CC(=O)O)OC)C
Compound: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-furancarboxamide
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)OC)C)[N+](=O)[O-]
Compound: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[2-(1-pyrrolidinyl)ethyl]urea
SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCN3CCCC3)C(=O)NC4=CC=C(C=C4)F)OC
Compound: 5,6-dichloro-3-pyridinecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1=COC(=C1)CNC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl
Compound: N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=NN2CC3=CC=CC=C3
Compound: 1-acetyl-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILES: CCCNS(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)C
Compound: 5-[2-(6-hydroxy-3-methyl-2-benzofuranyl)-2-oxoethyl]-2-furancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C3=C(O2)C=C(C=C3)O)C
Compound: N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NCC3=CC=CS3
Compound: 4-(4-acetyloxyphenyl)benzoic acid [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester
SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N(C)CC(=O)NC3=CC=CC=C3Cl
Compound: 2-(2-cyanophenoxy)-N-[2-[cyclopropyl(oxo)methyl]-3-benzofuranyl]acetamide
SMILES: C1CC1C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)COC4=CC=CC=C4C#N
Compound: 3-(diphenylmethylene)-1-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolidine-2,5-dione
SMILES: C1CN(CCN1CCCCN2C(=O)CC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2=O)C5=CC=CC=C5
Compound: 2,4-dibromo-6-[[(2,6-dimethyl-1-piperidinyl)amino]methylidene]-1-cyclohexa-2,4-dienone
SMILES: CC1CCCC(N1NC=C2C=C(C=C(C2=O)Br)Br)C
Compound: 2-methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
SMILES: CC1(CC2CC(N1O2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: dXDP
SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cnc2c1[nH]c(=O)[nH]c2=O
Compound: 2,6-diphenyl-3-propyl-4-piperidinone oxime
SMILES: CCCC1C(NC(CC1=NO)C2=CC=CC=C2)C3=CC=CC=C3
Compound: N-(2,4-dimethylphenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide
SMILES: CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C
Compound: 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-yl-2-propenamide
SMILES: C1=CC(=C(C(=C1)Cl)C=CC(=O)NC2=CC=NC=C2)F
Compound: 5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILES: COC1=CC=CC(=C1)C2CC(N=C3N2NC(=N3)N)C4=CC=C(C=C4)F
Compound: 4-fluorobenzoic acid [1-(4-methylphenyl)ethylideneamino] ester
SMILES: CC1=CC=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)F)C
Compound: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester
SMILES: CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC(C)C(C)C
Compound: N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-2-(3-methylphenoxy)acetamide
SMILES: CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4
Compound: 1-(1,2-dihydroacenaphthylen-5-yl)ethanone
SMILES: CC(=O)C1=C2C=CC=C3C2=C(CC3)C=C1
Compound: 1-cyclohexyl-3-(3-ethylphenyl)urea
SMILES: CCC1=CC(=CC=C1)NC(=O)NC2CCCCC2
Compound: 3-anilino-1-(3-nitrophenyl)-1-propanone
SMILES: C1=CC=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Compound: dXTP
SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c1[nH]c(=O)[nH]c2=O
Compound: N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCC(C2=CC=CC=C2)C3=CC=CO3
Compound: 4-(4-methylphenyl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=CC=CC=C4OC3=O
Compound: 4-[5-(4-methyl-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-3-yl]-1,2,5-oxadiazol-3-amine
SMILES: CC1=NON=C1C2=NC(=NN2)C3=NON=C3N
Compound: 3-(4-chlorophenyl)-6-(thiophen-2-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1=CSC(=C1)CC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)Cl
Compound: 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(F)(F)F
Compound: 3-(4-chlorophenyl)-4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=C(C=C4)Cl
Compound: N-[4-(4-fluorophenyl)-2-thiazolyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F
Compound: LSM-16720
SMILES: CCN(CC)C1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OCCOC)C)CC(CC3=O)(C)C
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5
Compound: 1-(2,3-dimethyl-1-indolyl)-2-(4-methyl-1-piperidinyl)ethanone
SMILES: CC1CCN(CC1)CC(=O)N2C(=C(C3=CC=CC=C32)C)C
Compound: 1-cyclopropyl-7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6)F)C(=O)O
Compound: 2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[4-(4-morpholinyl)phenyl]acetamide
SMILES: CCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)N4CCOCC4
Compound: 4,5-dichloro-2-[oxo-(8-quinolinylamino)methyl]benzoic acid
SMILES: C1=CC2=C(C(=C1)NC(=O)C3=CC(=C(C=C3C(=O)O)Cl)Cl)N=CC=C2
Compound: N-[amino-[(5-methyl-1,3-benzoxazol-2-yl)imino]methyl]cyclopropanecarboxamide
SMILES: CC1=CC2=C(C=C1)OC(=N2)N=C(N)NC(=O)C3CC3
Compound: N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC2=NNC(=S)S2
Compound: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
SMILES: CC1=NC(=CS1)C2=CC3=C(C=C2)OCCCO3
Compound: 1-[2-(2-chlorophenoxy)ethyl]benzimidazole
SMILES: C1=CC=C2C(=C1)N=CN2CCOC3=CC=CC=C3Cl
Compound: 2-[4-(dimethylamino)phenyl]azobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3
Compound: 2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid
SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4
Compound: 1-[(4-phenyl-1-piperazinyl)methyl]-2-naphthalenol
SMILES: C1CN(CCN1CC2=C(C=CC3=CC=CC=C32)O)C4=CC=CC=C4
Compound: N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide
SMILES: C1=CC=C(C=C1)OCC(=O)C2=CN(C3=CC=CC=C32)CC(=O)NCC4=CC=CO4
Compound: 2-[(4-chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
SMILES: C1CCN(CC1)C2=CC(=O)N(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)Cl
Compound: 1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]-2-propen-1-one
SMILES: CN(C)C1=CC=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Cl)O
Compound: 1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanamine
SMILES: CCC(C)(C)N1C(=NN=N1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=CO3
Compound: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(2-ethoxyphenyl)acetamide
SMILES: CCOC1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43
Compound: 6-(2-methyl-3-benzofuranyl)-2,3-dihydroimidazo[2,1-b]thiazole
SMILES: CC1=C(C2=CC=CC=C2O1)C3=CN4CCSC4=N3
Compound: 1,4-dimethyl-6-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]quinoxaline-2,3-dione
SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)N(C(=O)C1=O)C
Compound: 2-[4-[(6-ethoxy-2-quinolinyl)methyl]-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol
SMILES: CCOC1=CC2=C(C=C1)N=C(C=C2)CN3CCN(C(C3)CCO)CC4=CSC=C4
Compound: 1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCC3=CC=CO3
Compound: N-(3-cyano-2-thiophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
SMILES: CN1C=CN=C1SCC(=O)NC2=C(C=CS2)C#N
Compound: 4-chloro-N-[3-(N-methylanilino)-1,4-dioxo-2-naphthalenyl]benzamide
SMILES: CN(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=C(C=C4)Cl
Compound: 1-[4-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-nitrophenyl]piperidine-2,6-dione
SMILES: CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)N4C(=O)CCCC4=O)[N+](=O)[O-]
Compound: 2-[4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
SMILES: CCNC(=S)NN=CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)OC)OC
Compound: N-(4-chloro-2-fluorophenyl)-3-(methoxymethyl)-2-benzofurancarboxamide
SMILES: COCC1=C(OC2=CC=CC=C21)C(=O)NC3=C(C=C(C=C3)Cl)F
Compound: 2-(5-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-nitrosoacetonitrile
SMILES: CC1=CC2=C(C=C1)NC(=C(C#N)N=O)N2
Compound: LSM-16748
SMILES: COC1=CC(=C(C=C1C=[NH+]NC2=NC=NC3=C2NC4=CC=CC=C43)OC)OC
Compound: (1S,2S)-N-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-2-phenyl-1-cyclopropanecarboxamide
SMILES: C1[C@@H]([C@H]1C(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
Compound: 6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid
SMILES: C1C=CCC(C1C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O
Compound: 4-[[[4-(9H-fluoren-9-yl)-1-piperazinyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
SMILES: C1CN(CCN1C2C3=CC=CC=C3C4=CC=CC=C24)NC=C5C=CC(=O)C=C5O
Compound: N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-furancarboxamide
SMILES: COC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC=C(O2)COC3=CC4=C(CCC4)C=C3
Compound: LSM-16753
SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=CC(=O)N5C4
Compound: 2-[2-(3-bromophenyl)ethenyl]-8-nitroquinoline
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(C=C2)C=CC3=CC(=CC=C3)Br
Compound: N-[4-(6-imidazo[2,1-b]thiazolyl)phenyl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CN4C=CSC4=N3)S(=O)(=O)N5CCOCC5
Compound: 2-cyano-N-(3-methoxypropyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide
SMILES: COCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC3
Compound: N-(2-naphthalenyl)-2-[[6-[[[2-(2-naphthalenylamino)-2-oxoethyl]thio]methyl]-2-pyridinyl]methylthio]acetamide
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=NC(=CC=C3)CSCC(=O)NC4=CC5=CC=CC=C5C=C4
Compound: 2-methyl-5-[2-(4-methylphenyl)-2-oxoethyl]-2,3-dihydro-1H-pyrazin-6-one
SMILES: CC1CN=C(C(=O)N1)CC(=O)C2=CC=C(C=C2)C
Compound: 5-(2,4-dichlorophenyl)-N-(4-methyl-2-thiazolyl)-2-furancarboxamide
SMILES: CC1=CSC(=N1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl
Compound: 1-[2-[(4-chloro-1-naphthalenyl)oxy]ethyl]imidazole
SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)OCCN3C=CN=C3
Compound: N-(3-acetylphenyl)-3,5-dimethyl-4-isoxazolesulfonamide
SMILES: CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C
Compound: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSCC4=CC=C(C=C4)Cl
Compound: 5-(4-methyl-1-piperidinyl)-2-(1-naphthalenylmethyl)-4-oxazolecarbonitrile
SMILES: CC1CCN(CC1)C2=C(N=C(O2)CC3=CC=CC4=CC=CC=C43)C#N
Compound: 3-(2,2-dichloroethenyl)-N-[(2-fluorophenyl)methylideneamino]-2,2-dimethyl-1-cyclopropanecarboxamide
SMILES: CC1(C(C1C(=O)NN=CC2=CC=CC=C2F)C=C(Cl)Cl)C
Compound: 10H-phenanthro[9,10-g]pteridine-11,13-dione
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C5C(=N4)NC(=O)NC5=O
Compound: 4-methoxy-N-[4-[1-[(4-methoxyanilino)-oxomethyl]cyclopentyl]phenyl]benzamide
SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3(CCCC3)C(=O)NC4=CC=C(C=C4)OC
Compound: N,N-diethylcarbamodithioic acid (2,2,2-trichloro-1-formamidoethyl) ester
SMILES: CCN(CC)C(=S)SC(C(Cl)(Cl)Cl)NC=O
Compound: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone
SMILES: CN1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)C4=CC=CC=C4
Compound: 2-[(2-nitrophenyl)thio]-1-cyclooctanone
SMILES: C1CCCC(=O)C(CC1)SC2=CC=CC=C2[N+](=O)[O-]
Compound: 1-(4-methylphenyl)-3-(6-quinolinyl)-2-propen-1-one
SMILES: CC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)N=CC=C3
Compound: N-[4-[[(2-methyl-3-indolylidene)methylhydrazo]-oxomethyl]phenyl]propanamide
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)NNC=C2C(=NC3=CC=CC=C32)C
Compound: N-[(4-methylphenyl)methyl]-4-(1-pyrrolyl)benzamide
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C=CC=C3
Compound: 4-(dimethylamino)-N-[1-(3-methoxyphenyl)ethylideneamino]benzamide
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)N(C)C)C2=CC(=CC=C2)OC
Compound: LSM-16774
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6
Compound: acetic acid [1-[(3-nitrophenyl)-(1-oxopentylamino)methyl]-2-naphthalenyl] ester
SMILES: CCCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C
Compound: N-[3-(4-bromophenyl)prop-2-enylideneamino]-1,3-benzothiazol-2-amine
SMILES: C1=CC=C2C(=C1)N=C(S2)NN=CC=CC3=CC=C(C=C3)Br
Compound: N2-(3-chloro-4-methylphenyl)-N1-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)OC)Cl
Compound: 4-(2,3,5,6-tetrafluoro-4-prop-1-enylphenoxy)benzoic acid
SMILES: CC=CC1=C(C(=C(C(=C1F)F)OC2=CC=C(C=C2)C(=O)O)F)F
Compound: N-(3-methoxyphenyl)-2-benzo[cd]indolamine
SMILES: COC1=CC=CC(=C1)NC2=NC3=CC=CC4=C3C2=CC=C4
Compound: 1-(2-furanyl)-3-(2-phenoxyanilino)-2-propen-1-one
SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2NC=CC(=O)C3=CC=CO3
Compound: 6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4C=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=CC(=C6)C(F)(F)F
Compound: 3-(2-methoxyphenyl)-1-phenyl-2-propen-1-one
SMILES: COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2
Compound: delta7,24-Cholestadien-3beta-ol
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Compound: N-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C
Compound: 4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC(=C(C(=C3)OC)OC)OC)CC4=CC=CC=C4
Compound: 4-chloro-N-[(8-phenylmethoxy-2-quinolinyl)methylideneamino]benzamide
SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2N=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)Cl
Compound: 4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine
SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SC4=CC=CC=N4
Compound: 2-[5-(3,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile
SMILES: CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC#N)C
Compound: N-(4-methoxyphenyl)carbamic acid propan-2-yl ester
SMILES: CC(C)OC(=O)NC1=CC=C(C=C1)OC
Compound: LSM-16789
SMILES: CCC1=C(C=C2C3=C(C(=CC(=O)N3)O)SC2=N1)C
Compound: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)OC
Compound: 2-[2-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione
SMILES: CC1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O
Compound: 1-[tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)urea
SMILES: CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)NC2=CC=C(C=C2)Cl)C
Compound: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazepane
SMILES: C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl
Compound: 3-[1-(butylamino)ethylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
SMILES: CCCCNC(=C1C(=O)C2=CC=CC=C2OC1=O)C
Compound: 4-[[[(2-methoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC
Compound: [4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-(2-pyridin-4-yl-4-quinolinyl)methanone
SMILES: C1CN(CCN1C2=NN=C(C=C2)N3CCOCC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=NC=C6
Compound: N'-(2-pyrrolylidenemethyl)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide
SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NNC=C3C=CC=N3
Compound: N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide
SMILES: CC(C)(C)C1=CSC(=N1)NC(=O)C2=CC3=NC=CN=C3C=C2