MonarchInit/C3PO huggingface dataset:
Compound: 2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide
SMILES: CC1=C(SC(=C1C#N)NC(=O)CSC2=NN(C(=N2)N)CC(=O)C3=CC=CC=C3)C
Compound: N-[4-[[(3,4-dimethylanilino)-oxomethyl]amino]phenyl]-N-methylacetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C)C
Compound: 5-[[[2-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
Compound: 3-[2-(4-methylphenyl)-5-tetrazolyl]quinoline
SMILES: CC1=CC=C(C=C1)N2N=C(N=N2)C3=CC4=CC=CC=C4N=C3
Compound: 5-acetyloxy-2-[[cyclohexyl(oxo)methyl]amino]benzoic acid
SMILES: CC(=O)OC1=CC(=C(C=C1)NC(=O)C2CCCCC2)C(=O)O
Compound: (3-anilino-5-methyl-1-pyrazolyl)-(4-bromophenyl)methanone
SMILES: CC1=CC(=NN1C(=O)C2=CC=C(C=C2)Br)NC3=CC=CC=C3
Compound: 4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol
SMILES: C1[C@@H](N(C(=N1)N)CCC23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)O
Compound: 1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-nitropyrazole
SMILES: CC1=C(C(=NN1CCC2=CC=C(C=C2)OC)C)[N+](=O)[O-]
Compound: N-(4-methoxyphenyl)-2-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC)C(=O)COC3=CC=CC(=C3)C
Compound: N-(2,5-dimethylphenyl)-2-[[3-(4-ethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]acetamide
SMILES: CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(=O)NC4=C(C=CC(=C4)C)C
Compound: 4-tert-butyl-N-(4-methyl-3-nitrophenyl)benzamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]
Compound: N'-[[3-(4-chlorophenyl)-4-pyrazolylidene]methyl]-4-nitrobenzohydrazide
SMILES: C1=CC(=CC=C1C2=NN=CC2=CNNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl
Compound: (2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]-1-propanol
SMILES: CNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC2(CC2)C3=CC=CC=C3
Compound: N-[(3-fluorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC(=CC=C3)F
Compound: 4-butyl-3-(5-ethyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CCCCN1C(=NNC1=S)C2=CSC(=C2)CC
Compound: N-(4-methoxyphenyl)-2-(methylthio)benzamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC
Compound: N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-5-(5-methyl-2-furanyl)-1H-pyrazole-3-carboxamide
SMILES: CC1=CC=C(O1)C2=CC(=NN2)C(=O)NN=CC=CC3=CC=CC=C3OC
Compound: (3R,3aS,7R,7aS)-7-methyl-3-(2-naphthalenyl)-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
SMILES: C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5
Compound: 4-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-1-methyl-2-quinolinone
SMILES: CCN1CCN(CC1)C(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C
Compound: N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester
SMILES: CC1=CC=C(O1)CNC(=O)[C@H](C)[C@H]2C[C@]2(C)[C@@H](C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
Compound: N-[(2-methoxyphenyl)methyl]-4-[[[2-(4-methyl-1-piperidinyl)-3,4-dioxo-1-cyclobutenyl]amino]methyl]-1-cyclohexanecarboxamide
SMILES: CC1CCN(CC1)C2=C(C(=O)C2=O)NCC3CCC(CC3)C(=O)NCC4=CC=CC=C4OC
Compound: 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid
SMILES: CN1C(=CC2=CC(=C(C(=C21)OC)OC)OC)C(=O)O
Compound: N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide
SMILES: CCCCC(=O)NC1=CC2=C(C=C1)N3CCSCC3=N2
Compound: 2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
SMILES: C1=CC=C(C=C1)OCCS(=O)(=O)C2=NC3=CC=CC=C3N2
Compound: [4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione
SMILES: C1CCN(C1)C(=S)C2=CC=C(C=C2)OCC3=CC=CC=C3F
Compound: (4-chlorophenyl)-[4-[[(2,4-dichlorophenyl)thio]methyl]-4-hydroxy-1-piperidinyl]methanone
SMILES: C1CN(CCC1(CSC2=C(C=C(C=C2)Cl)Cl)O)C(=O)C3=CC=C(C=C3)Cl
Compound: 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-ethoxyphenyl)urea
SMILES: CCOC1=CC=CC=C1NC(=O)NC2=CC3=C(CCC3)C=C2
Compound: 1-(3-methoxyphenyl)-3-(4-phenylbutyl)urea
SMILES: COC1=CC=CC(=C1)NC(=O)NCCCCC2=CC=CC=C2
Compound: 3-[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]-1,3-benzoxazol-2-one
SMILES: CCC1CCCCN1C(=O)CN2C3=CC=CC=C3OC2=O
Compound: 2-cyclopentyl-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-9-methyl-1-pyrido[3,4-b]indolone
SMILES: CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)N4CCC5(CC4)OCCO5)C6CCCC6
Compound: 4-amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NCC=C)C#N)N
Compound: N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)-1-naphthalenecarboxamide
SMILES: CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC2=CC=CC=C21)OCC
Compound: 1-[1-(phenylmethyl)-4-piperidinyl]-3-(2-propan-2-ylphenyl)thiourea
SMILES: CC(C)C1=CC=CC=C1NC(=S)NC2CCN(CC2)CC3=CC=CC=C3
Compound: N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-pyridinecarboxamide
SMILES: CCCCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=CC=N3
Compound: 5-[[4-(difluoromethylthio)phenyl]methyl]-2-[2-(3-pyridinylmethylidene)hydrazinyl]-4-thiazolone
SMILES: C1=CC(=CN=C1)C=NNC2=NC(=O)C(S2)CC3=CC=C(C=C3)SC(F)F
Compound: 3-(phenoxymethyl)-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)OCC2=NNC(=S)N2N=CC3=CC=CS3
Compound: (2S)-2-[[[4-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C
Compound: 3-(2-methylpropyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CC(C)CN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S
Compound: 2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamide
SMILES: COC1=CC(=CC(=C1)NC(=O)C2=CC(=NC=C2)N)C(=O)NC3=CC=CC(=C3)C(F)(F)F
Compound: 1-[5-[2-(tert-butylamino)-4H-1,3,4-thiadiazin-5-ylidene]-2,4-dimethyl-3-pyrrolyl]ethanone
SMILES: CC1=C(C(=NC1=C2CSC(=NN2)NC(C)(C)C)C)C(=O)C
Compound: 4-[[2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)NC3CCS(=O)(=O)C3)C)C
Compound: thiocyanic acid [3-methoxy-4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]phenyl] ester
SMILES: CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)SC#N)OC)C(=N2)C
Compound: 3-methoxy-N-[2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-naphthalenecarboxamide
SMILES: COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=CC=CC=C3C=C2OC)N4CCCC4
Compound: 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-3-pyrrolyl]-2-oxoethyl]-3-pyridazinone
SMILES: CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CN2C(=O)C(=C(C=N2)Cl)Cl
Compound: 5-(4-bromophenyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinamine
SMILES: C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Br)N
Compound: N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILES: C1CC1C(=O)N[C@@H]2C=C[C@H](O[C@@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
Compound: N-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILES: C1CC1C(=O)N[C@H]2C=C[C@@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3
Compound: 1-[(2R,3R,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3-fluorophenyl)urea
SMILES: C1C[C@H]([C@@H](O[C@@H]1CCNS(=O)(=O)C2=CC(=CC=C2)Cl)CO)NC(=O)NC3=CC(=CC=C3)F
Compound: N-[(3-fluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide
SMILES: C1C[C@H]([C@H](O[C@@H]1CC(=O)NCC2=CC(=CC=C2)F)CO)NC(=O)CN3CCOCC3
Compound: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILES: CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(NC4=CC=CC=C43)C
Compound: 4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)-1-cyclohexanecarboxamide
SMILES: CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CC3CCC(CC3)C(=O)NCCCOC)OCC
Compound: 1-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]thiourea
SMILES: CC1=NC=C(C(=CNNC(=S)NC2=CC(=CC=C2)Cl)C1=O)CO
Compound: 4-[[(2-methyl-3-furanyl)-oxomethyl]amino]benzoic acid butyl ester
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(OC=C2)C
Compound: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=NN=C(S3)C(C)C
Compound: 1-tert-butyl-5-[(4-ethoxyanilino)methylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCOC1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)C(C)(C)C
Compound: 4-chloro-N-[3-chloro-4-(4-morpholinyl)phenyl]benzamide
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)Cl
Compound: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4
Compound: N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamide
SMILES: C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
Compound: 2-[[3-(2-furanyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid
SMILES: C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C=CC3=CC=CO3
Compound: 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CC2=NOC3=CC=CC=C32
Compound: 2-(1,3-benzothiazol-2-ylthio)-N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]acetamide
SMILES: C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4S3
Compound: 2-methyl-N-[(2-nitrophenyl)methylideneamino]-3-furancarboxamide
SMILES: CC1=C(C=CO1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-]
Compound: 4-methyl-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-6-one
SMILES: CC1=CC(=O)N=C2C1=C(NN2)C3=CC=CC=C3
Compound: N-(4-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C2=NOC3=C2CCCCC3
Compound: 4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester
SMILES: C1CSCCN1C(=S)SCC(=O)C2=CC=C(C=C2)Cl
Compound: 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C)CCC3=NC4=CC=CC=C4N3
Compound: 2-[[anilino(oxo)methyl]amino]-N-(2-furanylmethyl)benzamide
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3
Compound: N'-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-N-(2-pyridinylmethyl)oxamide
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=O)C(=O)NCC3=CC=CC=N3
Compound: 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILES: CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C
Compound: 4-[(2,6-dichlorophenyl)thio]-5-methoxy-2-(2-pyridinyl)pyrimidine
SMILES: COC1=CN=C(N=C1SC2=C(C=CC=C2Cl)Cl)C3=CC=CC=N3
Compound: 9-hydroxy-N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-9-fluorenecarbohydrazide
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C(=O)NNC=C4C=CC=CC4=O)O
Compound: 1-(3-methoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILES: COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])C(=O)NC2=O
Compound: [4-(2-methylphenyl)-1-piperazinyl]-(4-nitrophenyl)methanethione
SMILES: CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea
SMILES: CCOC1=CC=C(C=C1)NC(=O)NC2=CC3=NC=CN=C3C=C2
Compound: N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
SMILES: CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC(=CC=C3)Cl
Compound: 4-[(1R)-1-phenoxyethyl]-5-[5-[(1R)-1-phenoxyethyl]-3-(phenylmethyl)-4-triazolyl]-1-(phenylmethyl)triazole
SMILES: C[C@H](C1=C(N(N=N1)CC2=CC=CC=C2)C3=C(N=NN3CC4=CC=CC=C4)[C@@H](C)OC5=CC=CC=C5)OC6=CC=CC=C6
Compound: 8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILES: CC1=CC(=CC=C1)N=C2N(CC3=C(S2)N=C4C(=C(C=CC4=C3)C)C)CCN5CCOCC5
Compound: N-(4-methylphenyl)-2-[[(4-methylphenyl)-oxomethyl]hydrazo]-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILES: CC1=CC=C(C=C1)C(=O)NNC2=NC(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C
Compound: 1,3-benzodioxole-5-carboxylic acid [2-[[[(3-fluorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)C4=CC(=CC=C4)F
Compound: 2-(2,6-dichlorophenyl)acetic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester
SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl
Compound: 6-methyl-2-phenyl-N-(1-phenylethylideneamino)-5-prop-2-enyl-4-pyrimidinamine
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=C2)NN=C(C)C3=CC=CC=C3)CC=C
Compound: 2,3-bis(2-pyridinyl)quinoxaline
SMILES: C1=CC=C2C(=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4
Compound: 2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-]
Compound: N-(2,2,4-trimethyl-3H-benzofuran-7-yl)benzenesulfonamide
SMILES: CC1=C2CC(OC2=C(C=C1)NS(=O)(=O)C3=CC=CC=C3)(C)C
Compound: N-(3,4-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=C(NN=C3C)C)C
Compound: 4-(2-fluorophenyl)-5-methyl-2-(2-phenoxyethyl)-1,2,4-triazol-3-one
SMILES: CC1=NN(C(=O)N1C2=CC=CC=C2F)CCOC3=CC=CC=C3
Compound: 2-cinnamylidene-7-[(dimethylamino)methyl]-6-hydroxy-3-benzofuranone
SMILES: CN(C)CC1=C(C=CC2=C1OC(=CC=CC3=CC=CC=C3)C2=O)O
Compound: 1-(2-fluorophenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: C1COCCN1C2=CC=C(C=C2)NC=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
Compound: 1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
SMILES: CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2C
Compound: 6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CC=C(C(=C1)CN2C3=CC=CC=C3NC2=C4C=CC=CC4=O)O
Compound: 2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)-2-furanyl]-2-propenamide
SMILES: CC1CC1C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)Cl
Compound: 1-[1-(2-methoxyphenyl)ethylideneamino]-3-(phenylmethyl)thiourea
SMILES: CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CC=C2OC
Compound: 2-[4-(4-butylphenyl)-2-thiazolyl]-3-(5-methyl-2-furanyl)-2-propenenitrile
SMILES: CCCCC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC=C(O3)C)C#N
Compound: 1-(phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
SMILES: C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F
Compound: 4-[2-[2-[(3-carboxy-1-oxoprop-2-enyl)amino]phenyl]anilino]-4-oxo-2-butenoic acid
SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2NC(=O)C=CC(=O)O)NC(=O)C=CC(=O)O
Compound: 2-cyano-N-[3-(1-imidazolyl)propyl]-3-(4-nitrophenyl)-2-propenamide
SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-]
Compound: 7-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-imino-1-benzopyran-3-carboxamide
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=C(C=C3)F
Compound: (2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C[C@@H](OC(=C3)C(=O)NCC4=CC=CC=C4)OCC5=CC=C(C=C5)CO
Compound: 2-(4-methoxyphenyl)sulfonylquinoxaline
SMILES: COC1=CC=C(C=C1)S(=O)(=O)C2=NC3=CC=CC=C3N=C2
Compound: 2-(1,3-benzothiazol-2-ylmethoxy)phenol
SMILES: C1=CC=C2C(=C1)N=C(S2)COC3=CC=CC=C3O
Compound: N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)NC(=O)C4=CC=CO4)C5=CC=C(C=C5)Cl
Compound: 4-bromo-N-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide
SMILES: CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=CC=C(C=C4)Br
Compound: 8-(dimethylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILES: CN(C)C1=CC(=O)N2CCCSC2=N1
Compound: 3-benzyl-4-hydroxyquinolin-2(1H)-one
SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3NC2=O)O
Compound: 1-[4-(1-azepanyl)-3-fluorophenyl]-1-propanone
SMILES: CCC(=O)C1=CC(=C(C=C1)N2CCCCCC2)F
Compound: 2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILES: C1C(SC2=NC3=CC=CC=C3N2C1=O)C4=CC=CC=C4
Compound: N-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-amine
SMILES: C1OC2=C(O1)C=C(C=C2)CNC3=NC4=CC=CC=C4N3
Compound: 2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C
Compound: 2-(benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
SMILES: COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)CS(=O)(=O)C3=CC=CC=C3
Compound: 2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)SC)OC
Compound: 1-[[(2-chlorophenyl)-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)Cl
Compound: benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester
SMILES: CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=CC=C4
Compound: 4-methoxy-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2
Compound: 2-(4-morpholinyl)-5-[[oxo-[2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-3-furanyl]methyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4
Compound: N-cyano-N'-(2-fluorophenyl)carbamimidothioic acid [2-(tert-butylamino)-2-oxoethyl] ester
SMILES: CC(C)(C)NC(=O)CSC(=NC1=CC=CC=C1F)NC#N
Compound: 1-(2,4-dihydroxyphenyl)heptane-1,2-dione
SMILES: CCCCCC(=O)C(=O)C1=C(C=C(C=C1)O)O
Compound: N-(1-benzimidazolyl)-1-(6-chloro-5-imidazo[2,1-b]thiazolyl)methanimine
SMILES: C1=CC=C2C(=C1)N=CN2N=CC3=C(N=C4N3C=CS4)Cl
Compound: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-(2-methoxyphenyl)thiourea
SMILES: CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4OC)C
Compound: 2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one
SMILES: CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC3=NC(=O)C4=CC=CC=C4N3
Compound: 5-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)Br)C
Compound: 1',3'-dimethylspiro[1H-indole-3,8'-7,9-dihydropurine]-2,2',6'-trione
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC3(N2)C4=CC=CC=C4NC3=O
Compound: N-[[4-(1-naphthalenylmethoxy)phenyl]methylideneamino]-5-nitro-2-pyridinamine
SMILES: C1=CC=C2C(=C1)C=CC=C2COC3=CC=C(C=C3)C=NNC4=NC=C(C=C4)[N+](=O)[O-]
Compound: 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester
SMILES: CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=C(C=C4)OC)O
Compound: 6-amino-5-cyano-2-[[(3-cyano-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)thio]methyl]-4-(4-fluorophenyl)-4H-pyran-3-carboxylic acid methyl ester
SMILES: CN1CCC2=C(C1)C=C(C(=N2)SCC3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)F)C(=O)OC)C#N
Compound: 8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
SMILES: CCC(C)SC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
Compound: 4-chloro-N-[3-[(3,5-dimethyl-4-isoxazolyl)methylthio]-2-quinoxalinyl]benzenesulfonamide
SMILES: CC1=C(C(=NO1)C)CSC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl
Compound: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)NCCC4=CC=C(C=C4)F
Compound: 2-(2-furanylmethylamino)benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=CC=C3NCC4=CC=CO4
Compound: LSM-33433
SMILES: CC(C)CSC1=[NH+]C2=C(C3=CC=CC=C3N2)N=N1
Compound: N'-[3-bicyclo[2.2.1]heptanyl(oxo)methyl]-3-chloro-1-benzothiophene-2-carbohydrazide
SMILES: C1CC2CC1CC2C(=O)NNC(=O)C3=C(C4=CC=CC=C4S3)Cl
Compound: 2-(4-chlorophenyl)-5-(methylamino)-4-oxazolecarbonitrile
SMILES: CNC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C#N
Compound: 2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-(3-methylbutylamino)-2-oxoethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILES: CC(C)CCNC(=O)CN(C1=CC=CC2=C1CCCC2)C(=O)CN3N=C(N=N3)C4=CC=CC=C4F
Compound: 2,5-dimethyl-N-[(phenylmethylene)amino]-3-furancarboxamide
SMILES: CC1=CC(=C(O1)C)C(=O)NN=CC2=CC=CC=C2
Compound: 5-(2-chloro-4-fluorophenyl)-3-(2-pyrazinyl)-1,2,4-oxadiazole
SMILES: C1=CC(=C(C=C1F)Cl)C2=NC(=NO2)C3=NC=CN=C3
Compound: N-(4-anilinophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide
SMILES: C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)CO
Compound: 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone
SMILES: CCN1C2=C(C=C1C(=O)N3CCC4=CC=CC=C4C3)SC=C2
Compound: 4-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4
Compound: 4-[3-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenol
SMILES: CC1=CC2=NC(=C(N2C=C1)NCC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)O
Compound: (-)-usnic acid
SMILES: CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O
Compound: 2-N-Dodecyltetrahydrothiophene
SMILES: CCCCCCCCCCCCC1CCCS1
Compound: N'-(3,4-dihydro-2H-pyrrol-5-yl)-2-(2-naphthalenylamino)acetohydrazide
SMILES: C1CC(=NC1)NNC(=O)CNC2=CC3=CC=CC=C3C=C2
Compound: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-phenylthiourea
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3S2
Compound: 3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid
SMILES: C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)O
Compound: 6-chloro-2-[(1H-1,2,4-triazol-5-ylthio)methyl]imidazo[1,2-a]pyridine
SMILES: C1=CC2=NC(=CN2C=C1Cl)CSC3=NC=NN3
Compound: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
SMILES: C1CCC(CC1)C(=O)NCC(=O)OCC(=O)NC2=CC=C(C=C2)C#N
Compound: N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
SMILES: CC1=C(SC(=N1)NC(=O)C(C)C)C(=O)C
Compound: N-(2,3-dimethylphenyl)-2-[[6-(1,3-dioxo-2-isoindolyl)-1,3-benzothiazol-2-yl]thio]acetamide
SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C
Compound: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide
SMILES: C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C(Cl)(Cl)Cl)N
Compound: N-(1,5-dimethyl-4-pyrazolyl)-3-phenyl-2-propen-1-imine
SMILES: CC1=C(C=NN1C)N=CC=CC2=CC=CC=C2
Compound: 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(4-phenyl-1-piperazinyl)quinoline
SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCN(CC4)C5=CC=CC=C5
Compound: 2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CC2C(=O)N(C(=O)S2)C3=CC=CC=C3
Compound: 2-[5-[(2-methoxy-1-naphthalenyl)methylidene]-4-oxo-3-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-2-thiazolidinylidene]acetic acid ethyl ester
SMILES: CCOC(=O)C=C1N(C(=O)C(=CC2=C(C=CC3=CC=CC=C32)OC)S1)CC(=O)NCC4CCCO4
Compound: 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
SMILES: CC1CC2=CC=CC=C2N1CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC
Compound: 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(O3)C4=CC=CC=C4Cl
Compound: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid
SMILES: CC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC
Compound: LSM-33458
SMILES: CCN(CC)CCCN1C(C(C(=O)C1=O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=NC=C4
Compound: 6-bromo-2-(3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxamide
SMILES: C1=CC(=CN=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=C(C=C4)C(F)(F)F
Compound: 5-methyl-N-(4-propan-2-ylphenyl)-2-pyrazinecarboxamide
SMILES: CC1=NC=C(N=C1)C(=O)NC2=CC=C(C=C2)C(C)C
Compound: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-cyclohexylthiourea
SMILES: C1CCC(CC1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2
Compound: 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILES: C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)OCCO3
Compound: 2-ethyl-4-[(4-ethylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILES: CCC1=CC=C(C=C1)C=C2CN(CC3=C(C4=CC=CC=C4N=C23)C(=O)O)CC
Compound: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC)C
Compound: 1-(4-nitrophenyl)-3-[(1,3,3-trimethyl-2-indolylidene)methyl]pyrrolidine-2,5-dione
SMILES: CC1(C2=CC=CC=C2N(C1=CC3CC(=O)N(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C
Compound: 1-(2-methylphenyl)-3-[[(5-methyl-3-thiophenyl)-oxomethyl]amino]thiourea
SMILES: CC1=CC=CC=C1NC(=S)NNC(=O)C2=CSC(=C2)C
Compound: 2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
SMILES: C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=NC=C3
Compound: 7-amino-5-(4-ethoxy-3-methoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILES: CCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N)OC
Compound: LSM-33469
SMILES: C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)O)[NH2+][O-]
Compound: 2-cyano-N-(4-ethoxyphenyl)-3-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)C)C#N
Compound: 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone
SMILES: CCCN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S
Compound: [2-(3-chlorophenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl
Compound: 2-ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester
SMILES: CCOC1=C(C=CC=N1)C(=O)OCC2=CC=C(C=C2)C(=O)OC
Compound: N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-nitroaniline
SMILES: CC1=NON=C1OCCNC2=CC=C(C=C2)[N+](=O)[O-]
Compound: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-cyclohexyl-2-furancarboxamide
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)CN(C2CCCCC2)C(=O)C3=CC=CO3
Compound: 4-(1-naphthalenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid
SMILES: C1=CC=C2C(=C1)C=CC=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O
Compound: 4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester
SMILES: COC(=O)C1=CC(=C(C=C1)SCC(=O)NC2CCCCC2)[N+](=O)[O-]
Compound: 1-(4-chlorophenyl)-3-[2-(2-furanylmethyl)cyclohexyl]urea
SMILES: C1CCC(C(C1)CC2=CC=CO2)NC(=O)NC3=CC=C(C=C3)Cl
Compound: 2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)NC2=NC=C(C=C2)Cl
Compound: 4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
SMILES: CC(=O)C1C(N(C(=O)C1=O)CCC2=CNC3=CC=CC=C32)C4=CC(=CC=C4)OC
Compound: 8-nitro-5-[3-(trifluoromethyl)-1-piperidinyl]isoquinoline
SMILES: C1CC(CN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(F)(F)F
Compound: 2-[[benzamido(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
SMILES: CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=S)NC(=O)C3=CC=CC=C3)C
Compound: 2-cyano-N-(1,1-dioxo-3-thiolanyl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenamide
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)C(=O)NC3CCS(=O)(=O)C3)OC4=CC=C(C=C4)F
Compound: 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N'-[(2-oxo-1-naphthalenylidene)methyl]acetohydrazide
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=CNNC(=O)CC3=NNC(=O)NC3=O
Compound: (2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester
SMILES: COC1=CC(=C(C=C1)NC(=O)COC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)OC
Compound: 2-(ethylthio)-4-[[5-(2-nitrophenyl)-2-furanyl]methylidene]-5-thiazolone
SMILES: CCSC1=NC(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)S1
Compound: 2-cyano-3-[2-(1-piperidinyl)-3-quinolinyl]-2-propenoic acid ethyl ester
SMILES: CCOC(=O)C(=CC1=CC2=CC=CC=C2N=C1N3CCCCC3)C#N
Compound: N-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: C1=CSC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Cl
Compound: [3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanone
SMILES: CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3CCN(CC3)C4=NC=NC5=C4N=C6N5CCCCC6
Compound: 5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester
SMILES: CCOC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C)(C(F)(F)F)O
Compound: N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-methyl-2-pyrazinecarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CN=C(C=N2)C)S(=O)(=O)N(C)C
Compound: 5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
SMILES: CCCN(CCC)S(=O)(=O)C1=C2C(=CC(=C1)Br)CCN2C(=O)CC
Compound: (2S)-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCC4=CC=CC=C4
Compound: 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Br
Compound: 6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OCC
Compound: N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide
SMILES: C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(O2)OC3=CC(=CC(=C3)Cl)Cl
Compound: 1-ethyl-3-(thiophen-2-ylmethylideneamino)thiourea
SMILES: CCNC(=S)NN=CC1=CC=CS1
Compound: 1-(4-methoxyphenyl)-1-methyl-3-(1-methyl-5-benzotriazolyl)urea
SMILES: CN1C2=C(C=C(C=C2)NC(=O)N(C)C3=CC=C(C=C3)OC)N=N1
Compound: 2-(3,5-dimethyl-1-pyrazolyl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]ethanamine
SMILES: CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNCCN4C(=CC(=N4)C)C
Compound: 2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
SMILES: CCCN1C(=NC2=NC3=CC=CC=C3N=C21)C4=CC=C(C=C4)OC
Compound: 5-[[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)Cl)C(F)(F)F)N4CCOCC4
Compound: N-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3
Compound: 2-[benzenesulfonyl(2-pyridinyl)amino]acetic acid
SMILES: C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=N2
Compound: 3-[[2-(4-fluorophenoxy)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)COC3=CC=C(C=C3)F
Compound: 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4-methylaniline
SMILES: CC1=C(C=C(C=C1)NN=CC2=CC3=C(C=C2)OCCO3)Cl
Compound: 2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILES: CC1=NON=C1NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CCCCC4
Compound: 1-(3-methylphenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=N4
Compound: [3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
SMILES: C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CC=CS4
Compound: 1,3-bis(2-phenylethyl)thiourea
SMILES: C1=CC=C(C=C1)CCNC(=S)NCCC2=CC=CC=C2
Compound: 3-[5-(4-methoxyphenyl)-1-propyl-2-pyrrolyl]propanoic acid
SMILES: CCCN1C(=CC=C1C2=CC=C(C=C2)OC)CCC(=O)O
Compound: 3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
SMILES: COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl)[N+](=O)[O-]
Compound: N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
SMILES: CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3
Compound: N-[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide
SMILES: CC1CC(CN(C1)C(=S)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)C
Compound: 3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester
SMILES: CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)F
Compound: 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C
Compound: 4-methoxy-N-(2-pyrrolylidenemethyl)aniline
SMILES: COC1=CC=C(C=C1)NC=C2C=CC=N2
Compound: N-(1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]
Compound: 4-(3,5-dimethyl-1-piperidinyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILES: CC1CC(CN(C1)C(=O)CCC(=O)NC2=NN=C(S2)CC(C)C)C
Compound: 2-[(2-methylphenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILES: CC1=CC=CC=C1CSC2=NN=C(O2)C3=CC=NC=C3
Compound: 3-(3-chlorophenyl)-1-[(1-methyl-3-indolyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea
SMILES: CN1C=C(C2=CC=CC=C21)CN(CCCN3CCOCC3)C(=S)NC4=CC(=CC=C4)Cl
Compound: N-(4-ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O
Compound: 5-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester
SMILES: CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(O3)C(=O)OC)C
Compound: 4-chloro-5-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-phenyl-3-pyridazinone
SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NN=CC3=CC=C(C=C3)Cl)Cl
Compound: 3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
SMILES: C1=CSC(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)Cl
Compound: 3-(2-oxo-2-thiophen-2-ylethyl)-1H-quinoxalin-2-one
SMILES: C1=CC=C2C(=C1)NC(=O)C(=N2)CC(=O)C3=CC=CS3
Compound: 1-[2-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILES: C1CCN(CC1)C2=NC(=NC(=N2)OCCNC(=O)NC3=CC=CC=C3)N4CCCCC4
Compound: 2-(4-chloro-2-methylphenoxy)acetic acid [2-(ethylamino)-2-oxoethyl] ester
SMILES: CCNC(=O)COC(=O)COC1=C(C=C(C=C1)Cl)C
Compound: 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES: CCOC1=CC=CC=C1C2C(=C(OC3=C2C(=O)N(C(=C3)C)C)N)C#N
Compound: N-[3-cyano-4,5-bis(4-methoxyphenyl)-2-furanyl]acetamide
SMILES: CC(=O)NC1=C(C(=C(O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N
Compound: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl
Compound: 4-ethylbenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester
SMILES: CCC1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OCC
Compound: 4-methyl-6-(4-thiophen-2-yl-1,3-dihydro-1,5-benzodiazepin-2-ylidene)-1-cyclohexa-2,4-dienone
SMILES: CC1=CC(=C2CC(=NC3=CC=CC=C3N2)C4=CC=CS4)C(=O)C=C1
Compound: 2-(4-methylsulfonylphenyl)-6-imidazo[1,2-a]pyridinecarboxylic acid methyl ester
SMILES: COC(=O)C1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)S(=O)(=O)C
Compound: 3-chloro-4-fluoro-N-(3-pyridinyl)-1-benzothiophene-2-carboxamide
SMILES: C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NC3=CN=CC=C3)F
Compound: 8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole
SMILES: CN1CCN(CC1)C2=[NH+]C=NC3=C2NC4=C3C=C(C=C4)F
Compound: N-(2-hydroxyethyl)-5-methyl-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILES: CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N(CCO)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5
Compound: benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester
SMILES: CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C
Compound: 1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone
SMILES: CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2
Compound: 2-(3,4-dimethyl-6-oxo-2H-pyrano[2,3-c]pyrazol-5-yl)acetic acid ethyl ester
SMILES: CCOC(=O)CC1=C(C2=C(NN=C2OC1=O)C)C
Compound: 4-[2-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
SMILES: CC1=NN(C(=C1C=NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])N4CCCC4)C5=CC=CC=C5
Compound: N-(4-chlorophenyl)-1-(2-furanyl)methanimine oxide
SMILES: C1=COC(=C1)C=[N+](C2=CC=C(C=C2)Cl)[O-]
Compound: 1-amino-N-methyl-5-(4-morpholinyl)-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILES: CN(C1=CC=CC=C1)C(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)N5CCOCC5)N
Compound: 2-N-Undecyltetrahydrothiophene
SMILES: CCCCCCCCCCCC1CCCS1
Compound: 2-[(3,4-dichlorophenyl)methyl]-6-(2-phenylethenyl)-4,5-dihydropyridazin-3-one
SMILES: C1CC(=O)N(N=C1C=CC2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl
Compound: N-[2-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methoxy]-6-quinolinyl]-3-pyridinecarboxamide
SMILES: COC1=CC=C(C=C1)COC2=CC(=NC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4)C5=CC(=CC=C5)OC
Compound: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-pyridinylmethyl)benzamide
SMILES: CS(=O)(=O)N(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3
Compound: 3-[(2-fluorophenyl)methyl]-5-(1H-indol-3-ylmethylidene)imidazolidine-2,4-dione
SMILES: C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CNC4=CC=CC=C43)NC2=O)F
Compound: N-[4-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
Compound: 2,5-dimethyl-4-nitro-N-[4-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide
SMILES: CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=CC=N3)C
Compound: N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamide
SMILES: CC1=CC(=CC=C1)OCC(=O)NC(=S)N2CCCC3=CC=CC=C32
Compound: 2-[4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-3-thiazolidinyl]-N-(3-pyridinyl)acetamide
SMILES: COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)CC(=O)NC3=CN=CC=C3
Compound: 7,8-dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline
SMILES: CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C4=CC(=C(C=C14)OC)OC
Compound: 2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide
SMILES: CC1=C(SC(=C1C(=O)N)NC(=O)NC2=CC=CC=C2)C
Compound: 3-(1-azepanylazo)benzoic acid
SMILES: C1CCCN(CC1)N=NC2=CC=CC(=C2)C(=O)O
Compound: 2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester
SMILES: C1=CC=C(C=C1)COC(=O)CC2=CN3C=CSC3=N2
Compound: 3-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILES: C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N2CC1
Compound: 4-anilino-5-(2-furanylmethylidene)-2-thiazolone
SMILES: C1=CC=C(C=C1)NC2=NC(=O)SC2=CC3=CC=CO3
Compound: 4-(1-oxopropylamino)benzoic acid (2-chlorophenyl)methyl ester
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2Cl
Compound: 1-(2,6-dimethylphenyl)-3-thiophen-2-ylurea
SMILES: CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=CS2
Compound: 2-[(4-bromophenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
SMILES: C1=CC(=CN=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br
Compound: 3-(3-methoxyphenyl)-2-propenoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester
SMILES: COC1=CC=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3
Compound: N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamide
SMILES: CC1=C(C=C(C=C1)C(=C(Cl)Cl)NC(=O)N2CCOCC2)F
Compound: N-(4,5-diphenyl-2-oxazolyl)-3-methoxybenzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide
SMILES: CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=C4C=C(C=CC4=O)C)NN3
Compound: 1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
SMILES: CCC1=C2CCCCC2=C(C(=S)N1)C#N
Compound: 5-hydroxy-2-(phenoxymethyl)-3-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)COC3=CC=CC=C3
Compound: 2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NC3=NC=CS3
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-5-propan-2-yl-4-triazolecarboxamide
SMILES: CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)F
Compound: N'-(4,6-difluoro-1,3-benzothiazol-2-yl)benzohydrazide
SMILES: C1=CC=C(C=C1)C(=O)NNC2=NC3=C(C=C(C=C3S2)F)F
Compound: [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanone
SMILES: C1CC1C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N
Compound: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenylethanone
SMILES: COC1=C(C=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)OC
Compound: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methylphenyl)acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3CCCCC3)F
Compound: N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C
Compound: N-(2,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)-1-oxoethyl]amino]-2-benzofurancarboxamide
SMILES: COC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)COC4=CC=CC=C4OC)OC
Compound: acetic acid [4-[[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]anilino]-oxomethyl]phenyl] ester
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4
Compound: 4-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide
SMILES: CC1=CC(=NC(=N1)SCNC(=O)C2=CC=C(C=C2)Cl)C
Compound: 3-(2-ethylhexyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-4-thiazolidinone
SMILES: CCCCC(CC)CN1C(=O)C(=CC2=CC=NC=C2)SC1=S
Compound: N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]acetamide
SMILES: CCN(CC)C(=O)CSC1=NC2=CC3=C(C=C2C(=O)N1CC4=CC=C(C=C4)OC)OCO3
Compound: 2-fluoro-N-phenacylbenzamide
SMILES: C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2F
Compound: N-cyclopentyl-2-benzo[e]benzofurancarboxamide
SMILES: C1CCC(C1)NC(=O)C2=CC3=C(O2)C=CC4=CC=CC=C43
Compound: 2-(2,4-dichlorophenoxy)-N-(3-pyridinylmethylideneamino)acetamide
SMILES: C1=CC(=CN=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Compound: 3-(4-methoxyphenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: CC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)OC
Compound: 7-hydroxy-8-(4-morpholinylmethyl)-3-phenyl-1-benzopyran-4-one
SMILES: C1COCCN1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O
Compound: 2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
SMILES: CCOC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CO3)OCC
Compound: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester
SMILES: CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4
Compound: N,N-dimethyl-2-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thio]ethanamine
SMILES: CN(C)CCSC1=NC(=NC2=C1CCC2)C3=CC=CC=C3
Compound: 5-ethyl-N3-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]methylideneamino]-1,2,4-triazole-3,4-diamine
SMILES: CCC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]
Compound: 4-methyl-2-[3-methyl-4-(3-methylphenyl)azo-5-oxo-4H-pyrazol-1-yl]-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(S1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3)C)C
Compound: N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
SMILES: COC1=CC=CC(=C1)NC(=O)C2CC(=O)N3C=NN=C3S2
Compound: LSM-33589
SMILES: CCCSC1=NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)N1CC=C
Compound: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-fluorophenyl)thio]ethanone
SMILES: C1CN(CCN1C(=O)CSC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3
Compound: 1-[[4-(dimethylamino)phenyl]methyl]-1-(2-furanylmethyl)-3-(4-methoxyphenyl)thiourea
SMILES: CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC
Compound: 9-ethyl-3-carbazolamine
SMILES: CCN1C2=C(C=C(C=C2)N)C3=CC=CC=C31
Compound: 2-(3-chlorophenoxy)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(=CC=C3)Cl
Compound: 5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamide
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)Br
Compound: 5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one
SMILES: CSC1=CC=CC(=C1)N2C=C(NC2=O)C3=CC4=C(C=C3)OCO4
Compound: 4,5-dimethylcyclopenta[c]quinolizine-1,2-dicarboxylic acid dimethyl ester
SMILES: CC1=C2C=CC=CN2C3=C(C(=CC3=C1C)C(=O)OC)C(=O)OC
Compound: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester
SMILES: C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N
Compound: [3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-phenylmethanone
SMILES: CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4=CC=CC=C4
Compound: (3,5-dichloroanilino)thiourea
SMILES: C1=C(C=C(C=C1Cl)Cl)NNC(=S)N
Compound: 3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-one
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)C(C3=NN=NN3CC4=CC=CC=C4)N5CCCCCC5
Compound: 1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea
SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2NC(=S)NC3=CC(=CC=C3)Cl
Compound: 2-[[(3-methylphenyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILES: CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)O
Compound: 1-(4-acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
SMILES: CC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F
Compound: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,4,5-trimethoxyphenyl)methanimine
SMILES: CC1=NN=C(N1N=CC2=CC(=C(C=C2OC)OC)OC)C
Compound: 4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N
Compound: N,3-diphenyl-1-pyrrolidinecarboxamide
SMILES: C1CN(CC1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3
Compound: 4-methyl-1-piperazinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester
SMILES: CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)CSC(=S)N4CCN(CC4)C
Compound: 2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone
SMILES: CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)C)N4C=CC=C4
Compound: LSM-33609
SMILES: C1C2C1C3C=CC2C4C3C(=O)N(C4=O)N=CC5=CC=C(O5)C6=C(C=C(C=C6)F)[N+](=O)[O-]
Compound: 4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone
SMILES: C1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br
Compound: 2-[5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester
SMILES: CCOC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=S)N2CC(=O)OC)C)OC
Compound: N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide
SMILES: CC1=NC=C(N=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl
Compound: 2-(4-bromophenoxy)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILES: C1=COC(=C1)C2=NN=C(O2)C3=CC=C(C=C3)NC(=O)COC4=CC=C(C=C4)Br
Compound: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3
Compound: N-(4-methoxyphenyl)-3-methyl-2-quinoxalinamine
SMILES: CC1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)OC
Compound: 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
SMILES: C1COC2=C1C=C(C=C2)C3=CC=NC(=S)N3
Compound: 4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine
SMILES: CC(C)(C)C1=CC=C(C=C1)OC2=NC(=NC=C2OC)C3=CC=CC=C3
Compound: 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=C(N=CC=C3)Cl
Compound: 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILES: C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)C(F)(F)F
Compound: [1-(2-phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione
SMILES: C1CCN(C1)C(=S)C2=CN(C3=CC=CC=C32)CCOC4=CC=CC=C4
Compound: 5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine
SMILES: CC1=CC(=CC=C1)NC2=NNC(=C2[N+](=O)[O-])C
Compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamide
SMILES: CN1C(=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
Compound: N'-[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]-2-pyrazinecarbohydrazide
SMILES: CC1=C(C=CC(=C1)Br)OCC(=O)NNC(=O)C2=NC=CN=C2
Compound: LSM-33624
SMILES: CC1=CC(=CC=C1)CCNC(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C4=CC(=CC=C4)OC
Compound: 8-methoxy-5-methyl-3-[2-(1-pyrrolidinyl)ethyl]-4-pyrimido[5,4-b]indolone
SMILES: CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C=N3)CCN4CCCC4
Compound: 3-acetamidobenzoic acid [2-(4-methylphenyl)-2-oxo-1-phenylethyl] ester
SMILES: CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C
Compound: N-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4
Compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILES: CC1=CC(=CC=C1)N(CC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)S(=O)(=O)C
Compound: 3-[[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]methyl]-1,2,3-benzotriazin-4-one
SMILES: CC1=CC(=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3)C
Compound: 1-[2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILES: C1COCCN1C2=NC(=NC(=N2)OCCNC(=O)NC3=CC=CC=C3)N4CCOCC4
Compound: 3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamide
SMILES: CC(C)(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br
Compound: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C
Compound: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)O
Compound: 5-bromo-N-(4-methyl-2-thiazolyl)-3-pyridinecarboxamide
SMILES: CC1=CSC(=N1)NC(=O)C2=CC(=CN=C2)Br
Compound: 2-anilino-N-(4-fluorophenyl)acetamide
SMILES: C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)F
Compound: 4-(3,4-dimethylphenyl)-5-phenyl-2-thiazolamine
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)N)C3=CC=CC=C3)C
Compound: 2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1,4-benzoxazin-3-one
SMILES: C1CN(CCN1C2=CC=CC=N2)C(=O)CN3C4=CC=CC=C4OC(=CC5=CC=CC=C5F)C3=O
Compound: 2-[(2-methoxyanilino)methylidene]-3-methyl-1-oxo-4-pyrido[1,2-a]benzimidazolecarbonitrile
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNC4=CC=CC=C4OC)C#N
Compound: N-[4-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CS3)OC