MonarchInit/C3PO huggingface dataset:
Compound: N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Cl)OC
Compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILES: CN1CCSC2=C1C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC
Compound: 1-[(7-chloro-4-quinolinyl)amino]-3-(2,4-dichlorophenyl)thiourea
SMILES: C1=CC2=C(C=CN=C2C=C1Cl)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl
Compound: 3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILES: CN(C1=CC(=C(C=C1OC)OC)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)C4CC4
Compound: 1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile
SMILES: C1CCN(CC1)C2=C(C(=O)N3C2=CC4=C3CCCC4)C#N
Compound: 2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzimidazol-5-amine
SMILES: C1=CC2=C(C=C1N)NC(=N2)CCCCCCCCC3=NC4=C(N3)C=C(C=C4)N
Compound: 4-amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C(=NS1)C(=O)NC2CCCCC2)N
Compound: N-[4-[1-(benzenesulfonylhydrazinylidene)ethyl]phenyl]acetamide
SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=C(C=C2)NC(=O)C
Compound: 4-[(4-fluorophenyl)hydrazinylidene]pyrazole-3,5-diamine
SMILES: C1=CC(=CC=C1NN=C2C(=NN=C2N)N)F
Compound: N-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-imino-3-pyrancarboxamide
SMILES: COC1=CC(=C(C=C1)O)C(=O)C2=COC(=N)C(=C2)C(=O)NC3=CC=C(C=C3)SC(F)F
Compound: 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILES: CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC3=C(C=C2)SC(=N3)C)C)C
Compound: 2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-1-(4-methyl-1-piperidinyl)-1-propanone
SMILES: CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(C)C(=O)N3CCC(CC3)C
Compound: [4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-(2-oxiranyl)methanone
SMILES: C1C(C(=NN1)C(=O)C2CO2)C3=CC=C(C=C3)Cl
Compound: 5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=S)C(=C1)C#N)C
Compound: 6-(4-chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
SMILES: CC1=C(C=CC(=N1)C2=CC=C(C=C2)Cl)C(=O)OC
Compound: 5-hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=CC=CC=C3
Compound: 4-[3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CCN2C(=O)C3=C(C=CS3)NC2=O
Compound: 2-(7-methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)acetic acid methyl ester
SMILES: CC1=CC2=C(O1)C=C3N2C=NN(C3=O)CC(=O)OC
Compound: 2-[[2-(3-methyl-2-methylimino-4-oxo-5-thiazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)N(C(=NC)S2)C
Compound: 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILES: COC1=C(C=C(C=C1)C2=NC(=NN2)N)OC
Compound: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine
SMILES: C1=CC=C(C=C1)CNCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4
Compound: 2-amino-9-pentyl-3H-purine-6-thione
SMILES: CCCCCN1C=NC2=C1NC(=NC2=S)N
Compound: N-[3-(1,3-benzodioxol-5-yl)prop-2-enylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILES: CC1=CC(=NN1)C(=O)NN=CC=CC2=CC3=C(C=C2)OCO3
Compound: 3-nitro-4-[2-[1-(phenylmethyl)-4-piperidinylidene]hydrazinyl]benzenesulfonamide
SMILES: C1CN(CCC1=NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])CC3=CC=CC=C3
Compound: 4-[1-(dimethylamino)-2-(4-methyl-1-piperazinyl)ethylidene]-2-phenyl-5-oxazolone
SMILES: CN1CCN(CC1)CC(=C2C(=O)OC(=N2)C3=CC=CC=C3)N(C)C
Compound: 2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester
SMILES: CCC1=C(C=C2C(=C1)C3=C(CCCC3)C(=O)O2)OCC(=O)OC
Compound: 2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamide
SMILES: COC1=CC=CC=C1N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[oxo(thiophen-2-yl)methyl]-1-indolyl]acetamide
SMILES: C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=C(C4=CC=CC=C43)C(=O)C5=CC=CS5
Compound: 6,6-dimethyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine
SMILES: CC1(CC2=C(CO1)SC3=NC=NC(=C23)N)C
Compound: 5-[[(4-methoxyphenyl)methoxyamino]methylidene]-6-methylpyrimidine-2,4-dione
SMILES: CC1=NC(=O)NC(=O)C1=CNOCC2=CC=C(C=C2)OC
Compound: N-[3-[butyl(ethyl)amino]propyl]-1-(9-fluoro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide
SMILES: CCCCN(CC)CCCNC(=O)C1CCN(CC1)C2=NC=NC3=C2SC4=CC=CC(=C43)F
Compound: 4-methyl-N-(3-methylphenyl)-N-[2-oxo-2-[(2-oxo-3-indolyl)hydrazo]ethyl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NNC2=C3C=CC=CC3=NC2=O)C4=CC=CC(=C4)C
Compound: 2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)acetamide
SMILES: C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)COC3=CC=C(C=C3)F
Compound: 2-Hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene)but-2-enoic acid
SMILES: OC(=O)C(\O)=C/C=C1\C(=O)Cc2ccccc12
Compound: 6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinone
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC=CC=C5
Compound: 4-ethyl-3-[2-(4-methylphenyl)-4-quinolinyl]-1H-1,2,4-triazole-5-thione
SMILES: CCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C
Compound: N-(4-chloro-3-methylphenyl)-2-phenoxyacetamide
SMILES: CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl
Compound: N'-[5-(phenylmethyl)-4,5-dihydrothiazol-2-yl]hexanehydrazide
SMILES: CCCCCC(=O)NNC1=NCC(S1)CC2=CC=CC=C2
Compound: N-[5-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(4-morpholinylsulfonyl)benzamide
SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C
Compound: N,5-bis(4-methoxyphenyl)-2-thiophenecarboxamide
SMILES: COC1=CC=C(C=C1)C2=CC=C(S2)C(=O)NC3=CC=C(C=C3)OC
Compound: 7-[4-[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)Br)F)C(=O)O
Compound: 4-bromo-N-(2-phenazinyl)benzamide
SMILES: C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)NC(=O)C4=CC=C(C=C4)Br
Compound: N-(2-ethoxyphenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide
SMILES: CCOC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4
Compound: N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]benzamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=S)NC3=CC=CC=C3
Compound: 2-[[(3-methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester
SMILES: CCOC(=O)CN(CC1=C(C=CS1)C)C(=O)NC2=CC(=CC=C2)OC
Compound: 3-(3-nitrophenyl)-2-nitroso-4H-1,4-benzothiazine
SMILES: C1=CC=C2C(=C1)NC(=C(S2)N=O)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: 4-[[2-[4-(4-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)Cl
Compound: N-(1,3-benzodioxol-5-yl)-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5
Compound: 2-[(dimethylamino)methyl]-3-hydroxy-4-methyl-6-benzo[c][1]benzopyranone
SMILES: CC1=C2C(=CC(=C1O)CN(C)C)C3=CC=CC=C3C(=O)O2
Compound: 3-(4,5-dimethyl-3-thiophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=CC=C1N2C(=NNC2=S)C3=CSC(=C3C)C
Compound: 2-(2-cyanophenyl)sulfinyl-N-methylbenzamide
SMILES: CNC(=O)C1=CC=CC=C1S(=O)C2=CC=CC=C2C#N
Compound: 5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILES: CC1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C)C
Compound: 4-[2-[(1'-acetyl-4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl)oxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC4(CCN(CC4)C(=O)C)CC3=O
Compound: 1,5-dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C2NC(=O)C3=CC=CC=C3N2C(=O)C1
Compound: 5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
SMILES: CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCC3=CC=CC=N3)C4=CC=C(C=C4)Cl
Compound: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinecarboxamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC
Compound: 4-[[[2-(3-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
SMILES: CC1=CC(=CC=C1)CCNC(=S)NC2=CC=C(C=C2)C(=O)OC
Compound: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O
Compound: N'-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]-4-methoxybenzohydrazide
SMILES: CC1=NC=C(C(=CNNC(=O)C2=CC=C(C=C2)OC)C1=O)CO
Compound: 5-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-5-oxopentanoic acid
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CCCC(=O)O
Compound: 1-[[(5-hex-1-ynyl-2-furanyl)-oxomethyl]amino]-3-phenylurea
SMILES: CCCCC#CC1=CC=C(O1)C(=O)NNC(=O)NC2=CC=CC=C2
Compound: 2-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-3-one
SMILES: CC1=CC(=O)N(N1)C2=CC=C(C=C2)O
Compound: 2-hydroxy-3,5,7-tris(hydroxymethyl)-1-cyclohepta-2,4,6-trienone
SMILES: C1=C(C=C(C(=O)C(=C1CO)O)CO)CO
Compound: 3-methoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)OC
Compound: 4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid
SMILES: CC1=C(C(NC(=O)N1CCCC(=O)O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC3=CC=CC=C3
Compound: 2-(4-methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
SMILES: COC1=CC=C(C=C1)C2=NN=C(O2)C3=CN=CC=C3
Compound: 3-(1-azepanylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILES: C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanone
SMILES: COC1=CC2=NC3=C(C=C2C=C1)C=C(O3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
Compound: 4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid
SMILES: CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(=O)O
Compound: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]phenol
SMILES: C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3O
Compound: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-4-cyanobenzamide
SMILES: C1=CC(=CC=C1CSC2=NNC(=N2)NC(=O)C3=CC=C(C=C3)C#N)Cl
Compound: 5-bromo-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
SMILES: COC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC=C(S3)Br
Compound: 2-[9-(3-chloro-4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
SMILES: COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O)Cl
Compound: 1-(3,5-dimethylphenyl)-4-(1-ethyl-2-benzimidazolyl)-2-pyrrolidinone
SMILES: CCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC(=CC(=C4)C)C
Compound: 3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide
SMILES: CCCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Compound: 1-(2-furanylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-oxo-3-pyrrolidinecarboxamide
SMILES: CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4
Compound: 11-[2-(4-morpholinyl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
SMILES: C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NCCN5CCOCC5
Compound: N'-butan-2-yl-N-[2-(3,5-dimethyl-1-piperidinyl)-4-methyl-6-quinolinyl]butanediamide
SMILES: CCC(C)NC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CC(CC(C3)C)C
Compound: 5-(3,4-dimethoxyphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILES: COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CS3)S(=O)(=O)C)OC
Compound: 2-[2-methoxyethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)acetamide
SMILES: CC(C)C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)OC)N(CCOC)C(=O)CC3=CC=CS3
Compound: 5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=O)NC(=S)N(C3=O)C
Compound: 2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester
SMILES: CC1=CC=CC(=C1O)C(=O)OCC(=O)C(C#N)C(=N)C
Compound: 2-[2-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3OCC(=O)C4=CC=C(C=C4)Cl
Compound: N-butyl-N-[2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]acetamide
SMILES: CCCCN(C1CC(=O)N(C1=O)C2=CC=C(C=C2)OCCC)C(=O)C
Compound: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-(2-methoxyphenyl)-2-propen-1-imine
SMILES: CC1=NN=C(N1N=CC=CC2=CC=CC=C2OC)C
Compound: 2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILES: CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(N3C)C4=CC=C(C=C4)F
Compound: N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide
SMILES: CC1=CC=C(C=C1)N2C3=NC(=C(C(=C3C(=N2)C)C)CCC(=O)NCC4=CC=CC=C4)C
Compound: benzoic acid [3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
SMILES: CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)O)O
Compound: 3-(2-hydroxyphenyl)imino-1-pyridin-4-ylbutan-1-one
SMILES: CC(=NC1=CC=CC=C1O)CC(=O)C2=CC=NC=C2
Compound: 4-ethyl-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)oxazolidine
SMILES: CCC1COC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1
Compound: 2-(2-furanyl)-N-phenyl-3-imidazo[1,2-a]pyridinamine
SMILES: C1=CC=C(C=C1)NC2=C(N=C3N2C=CC=C3)C4=CC=CO4
Compound: N-(2,5-dimethoxyphenyl)-4-(2,4-dimethyl-5-thiazolyl)-2-thiazolamine
SMILES: CC1=C(SC(=N1)C)C2=CSC(=N2)NC3=C(C=CC(=C3)OC)OC
Compound: 7-(difluoromethyl)-N-(5-methyl-3-isoxazolyl)-5-(4-methylphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=NOC(=C4)C
Compound: 1-(2-methoxyphenyl)-3-[[1-methyl-5-(1-piperidinylsulfonyl)-3-indolyl]methylideneamino]thiourea
SMILES: CN1C=C(C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C=NNC(=S)NC4=CC=CC=C4OC
Compound: N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
SMILES: CC1=CC(=CC=C1)OCC(=O)NN=CC2=CC=C(C=C2)N(C)C
Compound: 5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
SMILES: CC(C)OC1=C(C=C(C=C1)C(=O)C)CC2=C(NC(=S)NC2=O)O
Compound: 5-(2,3-dihydroindol-1-ylmethylidene)-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CN1C(=O)C(=CN2CCC3=CC=CC=C32)C(=O)NC1=S
Compound: N2,N4-bis[[4-(dimethylamino)phenyl]methylideneamino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
SMILES: CC1=C(NC(=C1C(=O)NN=CC2=CC=C(C=C2)N(C)C)C)C(=O)NN=CC3=CC=C(C=C3)N(C)C
Compound: 4-[2-[[4-(dimethylamino)phenyl]methylamino]ethyl]-2,2-dimethyl-4-oxanol
SMILES: CC1(CC(CCO1)(CCNCC2=CC=C(C=C2)N(C)C)O)C
Compound: 4-methyl-6-(methylthio)-1H-quinolin-2-one
SMILES: CC1=CC(=O)NC2=C1C=C(C=C2)SC
Compound: (2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILES: C1=CC=C(C=C1)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
Compound: (3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)CNC(=O)[C@@H]3CC4=CC=CC=C4CN3
Compound: 2,2-dimethyl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]propanamide
SMILES: CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)CC2=CC=NC=C2
Compound: 2-[6-oxo-3-(2-phenylethenyl)-1-pyridazinyl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C(=O)C=CC(=N1)C=CC2=CC=CC=C2
Compound: 6,8-dibromo-2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-1H-quinazolin-4-one
SMILES: CN(CC1=CC=C(C=C1)OC(F)F)CC2=NC(=O)C3=CC(=CC(=C3N2)Br)Br
Compound: [[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]thiourea
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=NNC(=S)N
Compound: 2-[3-(4-methoxyphenyl)-1-benzo[f]quinolinyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CC(=NC2=C1C3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC
Compound: (3,4-dimethoxyphenyl)-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]methanone
SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C(=O)C3=CC(=C(C=C3)OC)OC
Compound: 2-(4-ethyl-1-piperazinyl)-5-[(5-methyl-2-furanyl)methylidene]-4-thiazolone
SMILES: CCN1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(O3)C)S2
Compound: LSM-24185
SMILES: C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)N4C[C@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5)OC2=O
Compound: 2-chloro-N-[(5-chloro-2-thiophenyl)methyl]-N-methylacetamide
SMILES: CN(CC1=CC=C(S1)Cl)C(=O)CCl
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-4-triazolecarboxamide
SMILES: CC1=CC(=CC=C1)COC2=CC=C(C=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C
Compound: 4-methoxy-N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)benzamide
SMILES: CC1=CC(=NC2=C1C(=O)OC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OC
Compound: N-(4-fluorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide
SMILES: C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)F
Compound: 5-methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
SMILES: CN1C2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)OC)O
Compound: N-(3,5-dimethylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide
SMILES: CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C
Compound: N-(3-acetylphenyl)-2-thiophen-2-ylacetamide
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=CS2
Compound: 3-[(2-bromophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione
SMILES: C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=CC=C3Br
Compound: 3-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O
Compound: N-(2,1,3-benzothiadiazol-4-yl)-3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC=CC4=NSN=C43
Compound: 1-[1-[[1-[(4-methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole
SMILES: CC1=CC=C(C=C1)CN2C(=NN=N2)CN3CCC(CC3)N4C5=C(C=C(C=C5)C(F)(F)F)N=N4
Compound: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-N-(pyridin-4-ylmethylideneamino)acetamide
SMILES: C1CN(CCN1CC2=CC=C(C=C2)Cl)CC(=O)NN=CC3=CC=NC=C3
Compound: 2-[(2-chlorophenyl)methoxy]-N-(4,5-dihydrothiazol-2-yl)benzamide
SMILES: C1CSC(=N1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl
Compound: 4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine
SMILES: C1C(OC2=CC=CC=C2O1)C3=CSC4=C3C(=NC=N4)Cl
Compound: 4-hydroxybenzoic acid [2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)COC(=O)C3=CC=C(C=C3)O
Compound: LSM-24201
SMILES: C1CC(OC1)CNC2=[NH+]C=NC3=C2NC4=CC=CC=C43
Compound: 1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide
SMILES: CCN1C2=C3C(=C(C=C2)S(=O)(=O)NCC4=CC=CC=N4)C=CC=C3C1=O
Compound: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-(2-oxolanylmethyl)urea
SMILES: COC1=CC=C(C=C1)NC(=O)N(CC2CCCO2)CC3=CC4=C(C=CC(=C4)OC)NC3=O
Compound: N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester
SMILES: C1=CNC(=O)C(=C1)OC(=O)NC2=CC=C(C=C2)F
Compound: 1-[3-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]butyl]-4-phenylpiperazine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)C(CC(C)C)N3CCN(CC3)C4=CC=CC=C4
Compound: N-(3,4-dimethyl-5-isoxazolyl)-4-[[3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC=CC(=O)C3=CC=C(C=C3)F
Compound: 5-imino-2-methyl-6-[[5-(phenylmethylthio)-2-furanyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES: CC1=NN2C(=N)C(=CC3=CC=C(O3)SCC4=CC=CC=C4)C(=O)N=C2S1
Compound: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-methyl-2-thiazolyl)thio]ethanone
SMILES: CC1=CSC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
Compound: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILES: CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C
Compound: LSM-24210
SMILES: CC1=CC=C(C=C1)C(=O)C2C(N(C(=O)C2=O)CC(C)O)C3=CC=CC=C3OC
Compound: N-[4-chloro-2-[(2,4-dimethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
SMILES: COC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CO3)OC
Compound: 4-(dimethylsulfamoyl)benzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3
Compound: 1-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(3-methoxypropyl)thiourea
SMILES: COCCCNC(=S)NNC=C1C=CC=C(C1=O)OC
Compound: 1,3-dimethyl-5-[2-(1-methyl-2-pyrrolidinylidene)ethylidene]-2-sulfanylidene-4-imidazolidinone
SMILES: CN1CCCC1=CC=C2C(=O)N(C(=S)N2C)C
Compound: 4-bromo-N-(3-pyridinylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILES: C1=CC(=CN=C1)C=NNC(=O)C2=C(C=NN2)Br
Compound: 5-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-N-methyl-6H-1,3,4-thiadiazin-2-amine
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C3=NN=C(SC3)NC
Compound: N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES: CN1C(=O)CC(SC1=NC2=CC(=CC=C2)OC)C(=O)NC3=CC=CC=C3F
Compound: 4-[[5-(difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline
SMILES: CC1=CC=CC2=CN=CC(=C12)OCC3=NN=C(N3C)SC(F)F
Compound: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-(2-thiazolyl)acetamide
SMILES: CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=NC=CS2
Compound: 1-[4-(diethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
Compound: 1-methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC2=C(N1CC(=O)N3CCN(CC3)C4=CC=CC=C4)C=CN2C
Compound: N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2)Cl)[N+](=O)[O-]
Compound: 3-(1,3-benzodioxol-5-ylmethyl)-4,10-dihydro-2H-[1,3,5]triazino[1,2-a]benzimidazole
SMILES: C1N=C2NC3=CC=CC=C3N2CN1CC4=CC5=C(C=C4)OCO5
Compound: [[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
SMILES: CCOC(=S)SCC(=O)NC1=NC(=C(S1)C)C
Compound: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzenesulfonamide
SMILES: CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCCC3=O)S(=O)(=O)C4=CC=C(C=C4)OC
Compound: N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
SMILES: CC(C)(C)NC1=NC(=NC(=N1)NN)NC(C)(C)C
Compound: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CS3)Cl
Compound: N-[(3-hydroxyanilino)-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)O)NC(=S)NC(=O)C2=CC=CO2
Compound: N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
SMILES: C1CC(=NC1)NC2=NN=C(O2)C3=CC=CC=C3
Compound: 1-(4-cyanophenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILES: COC1=CC=C(C=C1)CN2C=CC=C(C2=O)NC(=O)NC3=CC=C(C=C3)C#N
Compound: N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylpentanediamide
SMILES: CC1=CC(=NO1)NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3
Compound: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid phenyl ester
SMILES: CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)OC2=CC=CC=C2
Compound: 9-[2-hydroxy-3-(2-methyl-1-benzimidazolyl)propyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILES: CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC(CN4C(=NC5=CC=CC=C54)C)O
Compound: N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide
SMILES: C1CCN(C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CN4CCCC4
Compound: 3-hydroxy-4-[1-(phenylhydrazo)-2-(2-quinolinyl)ethylidene]-1-cyclohexa-2,5-dienone
SMILES: C1=CC=C(C=C1)NNC(=C2C=CC(=O)C=C2O)CC3=NC4=CC=CC=C4C=C3
Compound: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-(1,1-dioxo-3-thiolanyl)butanamide
SMILES: C1CS(=O)(=O)CC1NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Compound: 4-bromo-N-[[[2-furanyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: C1=COC(=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)Br
Compound: 4-[2-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILES: CC1=CC(=C2CCCC(=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C2=C1)C
Compound: 1-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-3-propan-2-ylthiourea
SMILES: CC(C)NC(=S)NN=C1CCCC2=CC=CC=C21
Compound: 4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C
Compound: 2-[2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-3-hydroxy-4-quinazolinone
SMILES: CC1=CC(=C(C=C1)C)C=NNC2=NC3=CC=CC=C3C(=O)N2O
Compound: 2-[2-[2-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydrazinyl]-4-oxo-5-thiazolyl]acetic acid
SMILES: COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC=CC=C3Cl
Compound: 2-[2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=NN2C3=C(C=C(C=C3)C)C
Compound: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=C(C=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCCO4
Compound: N-(1,3-dioxo-2-phenyl-5-isoindolyl)-2-thiophenecarboxamide
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CS4
Compound: N'-(5-bromo-2-oxo-3-indolyl)-2-(2,6-dimethylphenoxy)acetohydrazide
SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NNC2=C3C=C(C=CC3=NC2=O)Br
Compound: 1-cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
SMILES: CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)NC4CCCCC4
Compound: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-nitrophenyl)urea
SMILES: C1CN(CC2=CC=CC=C21)CCNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 8-methoxy-6-nitro-3-[oxo-(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]-1-benzopyran-2-one
SMILES: COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)N3CCN=C3C4=CC=CC=C4
Compound: 2-fluoro-N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4)F
Compound: 7-chloro-5-(4-morpholinyl)-2,1,3-benzoxadiazol-4-amine
SMILES: C1COCCN1C2=C(C3=NON=C3C(=C2)Cl)N
Compound: 2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester
SMILES: CC1=NC2=C(C(C1C(=O)OCCOC)C3=CSC=C3)C(=O)CC(C2)C4=CC=CS4
Compound: 2-hydroxy-2-pentyl-N'-phenylheptanehydrazide
SMILES: CCCCCC(CCCCC)(C(=O)NNC1=CC=CC=C1)O
Compound: 2-cyano-3-[7-methyl-2-(1-piperidinyl)-3-quinolinyl]-2-propenamide
SMILES: CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C(=O)N)N3CCCCC3
Compound: 5-[(4-phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol
SMILES: C1CN(CCN1C2=CC=CC=C2)C(C3=CC=CS3)C4=C(N5C(=NC=N5)S4)O
Compound: 2-[5-[(1-methyl-2-pyrrolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid
SMILES: CC(C(=O)O)N1C(=O)C(=CC2=CC=CN2C)SC1=S
Compound: 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione
SMILES: C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=O)N(C(=N3)C4=CC(=C(C=C4)OC5=CC=C(C=C5)F)[N+](=O)[O-])CCO
Compound: 5-(1-piperidinyl)-3-pyrazolo[1,5-a]quinazolinecarbonitrile
SMILES: C1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C42)C#N
Compound: N-(2-oxolanylmethyl)-2-(7-oxo-3-phenyl-6-triazolo[4,5-d]pyrimidinyl)acetamide
SMILES: C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=CC=C4
Compound: N-(4-acetamidophenyl)-2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetamide
SMILES: CCC1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)NC(=O)C
Compound: 4-fluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILES: C1=CC(=C2C(=C1)SC(=N2)NC3=NC4=C(C=CC=C4S3)F)F
Compound: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SMILES: C1C=CCC2C1C(=O)N(C2=O)C3=NN(C(=N3)N)C4=CC=CC=C4
Compound: 2-methyl-4-(trifluoromethyl)-5-thiazolecarbothioic acid S-(4-methylphenyl) ester
SMILES: CC1=CC=C(C=C1)SC(=O)C2=C(N=C(S2)C)C(F)(F)F
Compound: 4-(2-chlorophenoxy)-5-methoxy-2-(2-pyridinyl)pyrimidine
SMILES: COC1=CN=C(N=C1OC2=CC=CC=C2Cl)C3=CC=CC=N3
Compound: N-(1,3-diphenylpropan-2-ylideneamino)-2-hydroxybenzamide
SMILES: C1=CC=C(C=C1)CC(=NNC(=O)C2=CC=CC=C2O)CC3=CC=CC=C3
Compound: N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(2,5-dimethoxyphenyl)-3-isoxazolecarboxamide
SMILES: CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4=C(C=CC(=C4)OC)OC
Compound: 2-methyl-N-[(2-nitrophenyl)methylideneamino]-3-pyrazolecarboxamide
SMILES: CN1C(=CC=N1)C(=O)NN=CC2=CC=CC=C2[N+](=O)[O-]
Compound: N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
SMILES: CCN1C2=C(C=C3C=CC(=CC3=N2)C)C(=N1)NC(=O)C4=CC=CO4
Compound: 6-ethyl-3-[[[1-(2-furanylmethyl)-5-tetrazolyl]methyl-(phenylmethyl)amino]methyl]-1H-quinolin-2-one
SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)CC4=NN=NN4CC5=CC=CO5
Compound: N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide
SMILES: CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CO3
Compound: N-[2-[3-(ethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]propanamide
SMILES: CCC(=O)NC1=CC=CC=C1C2=NNC(=NC2=O)SCC
Compound: N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide
SMILES: C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CO4
Compound: 2-[(4-acetyloxy-3-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5-(2-phenylethenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C=CC4=CC=CC=C4)OC(=O)C
Compound: 1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea
SMILES: CC(C(=O)NNC(=S)NCC1CCCO1)OC2=C(C=C(C=C2)F)F
Compound: 4-amino-2-[(2,5-dichlorophenyl)-oxomethyl]isoindole-1,3-dione
SMILES: C1=CC2=C(C(=C1)N)C(=O)N(C2=O)C(=O)C3=C(C=CC(=C3)Cl)Cl
Compound: 2-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=S)NC(=O)C3=CC=C(C=C3)F
Compound: 4-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylidene]-2-(4-propan-2-yloxyphenyl)-5-oxazolone
SMILES: CC1=NN(C(=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)OC(C)C)N4CCCC4)C5=CC=CC=C5
Compound: 5-(2,3-dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILES: C1COC2=C1C=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)F
Compound: 3-phenyl-5-[(phenylthio)methyl]isoxazole
SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CSC3=CC=CC=C3
Compound: 4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid
SMILES: C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=C(C=C3)C(=O)O
Compound: N1-cyclohexyl-N2-cyclopropylpyrrolidine-1,2-dicarboxamide
SMILES: C1CCC(CC1)NC(=O)N2CCCC2C(=O)NC3CC3
Compound: 2-[[5-[1-(dimethylamino)ethyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C(C)N(C)C
Compound: 4-(diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C
Compound: 4-(dimethylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3
Compound: 1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILES: CC1=CC(=NN1C)CNCC2=C(NN=C2)C3=C(C=C(C=C3)OC)F
Compound: N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
SMILES: CC1=NC(=CC=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
Compound: 4,5-dimethyl-2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C=CC2=CC=CS2
Compound: 4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1CCCCC1N2C(=NNC2=S)C3=CN=CC=C3
Compound: 2-[2-(2-furanylmethylidene)hydrazinyl]-5-[(2-nitrophenyl)methyl]-4-thiazolone
SMILES: C1=CC=C(C(=C1)CC2C(=O)N=C(S2)NN=CC3=CC=CO3)[N+](=O)[O-]
Compound: 3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILES: CC1=CC(=O)N2C(=N1)C(=C(N2)C)C3=CC=C(C=C3)Cl
Compound: N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)C
Compound: 2-(1-nitrosoheptylidene)-1H-pyridine
SMILES: CCCCCCC(=C1C=CC=CN1)N=O
Compound: 5-acetyloxy-6-bromo-2-[[(6-but-3-enyl-3-cyano-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N
Compound: N-(5-chloro-2,4-dimethoxyphenyl)-1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxamide
SMILES: CN1C=C(C=C1C(=O)NC2=CC(=C(C=C2OC)OC)Cl)S(=O)(=O)N3CCOCC3
Compound: 1-(3,4-dimethoxyphenyl)-N-propan-2-yl-1-cyclopentanecarboxamide
SMILES: CC(C)NC(=O)C1(CCCC1)C2=CC(=C(C=C2)OC)OC
Compound: 3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamide
SMILES: CC1=CC=CC(=C1)C(=O)NC(=O)NC2=C(N=C(C=C2C)C)C
Compound: 3-propyl-1-(2-pyridinylmethylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile
SMILES: CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CC=CC=N4)C#N
Compound: 1-[[4-[(3,4-dichlorophenyl)thio]-3-pyridinyl]sulfonyl]-3-propylurea
SMILES: CCCNC(=O)NS(=O)(=O)C1=C(C=CN=C1)SC2=CC(=C(C=C2)Cl)Cl
Compound: 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC=NN2
Compound: N-(1,2,4-triazol-4-yl)-2-(1,3,3-trimethyl-2-indolylidene)ethanimine
SMILES: CC1(C2=CC=CC=C2N(C1=CC=NN3C=NN=C3)C)C
Compound: 4-(4-hydroxyphenyl)-N-(phenylmethyl)-1-piperazinecarbothioamide
SMILES: C1CN(CCN1C2=CC=C(C=C2)O)C(=S)NCC3=CC=CC=C3
Compound: 2-furancarboxylic acid [4-[[[oxo(2-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester
SMILES: C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3
Compound: N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide
SMILES: COC1=CC=CC=C1N2CCN(CC2)C(CNS(=O)(=O)C3=CC=CS3)C4=CN=CC=C4
Compound: 2-[2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-3-phenyl-1H-quinazolin-4-one
SMILES: C1=CC=C(C=C1)N2C(=CC=C3C=CC(=O)C(=C3)O)NC4=CC=CC=C4C2=O
Compound: 3-[5-(4-fluorophenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid
SMILES: C1CC(OC1)CN2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)O
Compound: 6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-one
SMILES: C1=CC2=C(C=C1C(=O)CCl)OC(=O)N2
Compound: 5-(3-pyridinylmethyl)-1,3,5-triazinane-2-thione
SMILES: C1NC(=S)NCN1CC2=CN=CC=C2
Compound: 3-methyl-7-[(3-methylphenyl)methylthio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SMILES: CC1=CC(=CC=C1)CSC2=NN3C(=O)C(=NN=C3S2)C
Compound: 2-[4-(2-fluorophenyl)-1-piperazinyl]quinoxaline
SMILES: C1CN(CCN1C2=CC=CC=C2F)C3=NC4=CC=CC=C4N=C3
Compound: 2-[(5-methyl-4-phenyl-2-thiazolyl)methyl]-4-thiazolol
SMILES: CC1=C(N=C(S1)CC2=NC(=CS2)O)C3=CC=CC=C3
Compound: 5-chloro-2-methoxy-4-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester
SMILES: COC1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C(=C2)OC)C(=O)OC)Cl
Compound: 1-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(2-phenylethyl)thiourea
SMILES: C1=CC=C(C=C1)CCNC(=S)NNC=C2C=C(C=CC2=O)Br
Compound: (2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid
SMILES: C[C@@H]([C@H](C1=NC=C(C=C1)O)O)[C@H](C(=O)N[C@H]([C@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N
Compound: N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CO3
Compound: 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine
SMILES: CC1=CC=CC=C1OC2=NC=NC3=C2C=C(O3)C4=CC=CC=C4
Compound: 2-[[2-[(ethoxycarbonylamino)-oxomethyl]-3-oxobut-1-enyl]amino]-3-thiophenecarboxylic acid methyl ester
SMILES: CCOC(=O)NC(=O)C(=CNC1=C(C=CS1)C(=O)OC)C(=O)C
Compound: 1-ethyl-4-hydroxy-2-oxo-N'-(1-oxoheptyl)-3-quinolinecarbohydrazide
SMILES: CCCCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O
Compound: N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
SMILES: COC1=CC=C(C=C1)CNC(=O)CN2C3=C(CCC3)C(=N2)C(F)(F)F
Compound: 2-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester
SMILES: C1COC(=O)C1OC(=O)C2=NC3=CC=CC=C3C=C2
Compound: (3-chloro-1-benzothiophen-2-yl)-[2-(2-chloro-6-methylphenyl)imino-4-methylene-3-thia-1-azaspiro[4.5]decan-1-yl]methanone
SMILES: CC1=C(C(=CC=C1)Cl)N=C2N(C3(CCCCC3)C(=C)S2)C(=O)C4=C(C5=CC=CC=C5S4)Cl
Compound: N-[2-(4-morpholinyl)ethyl]-2-(4-propan-2-yloxyphenyl)-4-quinolinecarboxamide
SMILES: CC(C)OC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4
Compound: N-[2-(2,4,6-trinitrophenyl)ethyl]aniline
SMILES: C1=CC=C(C=C1)NCCC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Compound: N-[(phenacylamino)-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC=C(C=C1)C(=O)CNC(=S)NC(=O)C2=CC=CO2
Compound: N'-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[(8-methoxy-2-methyl-4-quinolinyl)thio]acetohydrazide
SMILES: CC1=NC2=C(C=CC=C2OC)C(=C1)SCC(=O)NNC=C3C=CC(=O)C=C3O
Compound: 1-tert-butyl-3-[(4-methylphenyl)sulfonylamino]thiourea
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC(C)(C)C
Compound: 4-(1-benzofuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione
SMILES: CC1=CC(=NO1)N2C(C(C(=O)C2=O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)OCC=C
Compound: 3-[(4-methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=C(C=C1)OCC2=NNC(=S)N2C3=CC=CC=C3
Compound: 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
SMILES: CCN(CCS(=O)(=O)C1=CC=C(C=C1)Cl)C(=O)NC2=CC=CC=C2
Compound: 2-(3-bicyclo[2.2.1]heptanyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)CC3CC4CCC3C4)OC
Compound: 2-[[[4-(methylthio)anilino]-oxomethyl]amino]benzamide
SMILES: CSC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)N
Compound: 1-(3-chlorophenyl)-3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]methyl]urea
SMILES: COC1=CC(=C(C=C1)OC)CN2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)Cl
Compound: 9-cyclopentyl-3H-purine-6-thione
SMILES: C1CCC(C1)N2C=NC3=C2NC=NC3=S
Compound: 2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3
Compound: 2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: N-(2,4-dichlorophenyl)-1-piperidinecarbothioamide
SMILES: C1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Cl)Cl
Compound: 2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3
Compound: 2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide
SMILES: C1CCC2=C(C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5
Compound: 5-(2-phenyl-4-triazolyl)-2H-tetrazole
SMILES: C1=CC=C(C=C1)N2N=CC(=N2)C3=NNN=N3
Compound: 2-[2-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)C3=CC=NC=C3
Compound: N,N-diethyl-2-[[4-ethyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC(=O)N(CC)CC
Compound: 4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone
SMILES: CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CCl
Compound: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-quinolinecarboxamide
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2=NC3=CC=CC=C3C=C2
Compound: N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
SMILES: C1=COC(=C1)C(=O)NC2=NC3=C(S2)C=C(C(=C3F)F)F
Compound: 2-[[[3-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILES: CNC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O
Compound: 2-(benzenesulfonyl)benzaldehyde oxime
SMILES: S(C1=CC=CC=C1C=NO)(C=2C=CC=CC2)(=O)=O
Compound: 1-[(4-chlorophenyl)-oxomethyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl
Compound: 4-chloro-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl
Compound: 2-[(2-acetamido-1-oxoethyl)amino]-3-phenylpropanoic acid ethyl ester
SMILES: CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C
Compound: 4-hydroxy-4-(2-quinolinyl)-2-butanone oxime
SMILES: CC(=NO)CC(C1=NC2=CC=CC=C2C=C1)O
Compound: N-(2-oxolanylmethyl)-3-(1-tetrazolyl)benzamide
SMILES: C1CC(OC1)CNC(=O)C2=CC(=CC=C2)N3C=NN=N3
Compound: N'-(4-oxo-2-thiazolyl)benzohydrazide
SMILES: C1C(=O)N=C(S1)NNC(=O)C2=CC=CC=C2
Compound: 2-(4-methoxyphenyl)-2-(4-quinazolinylhydrazinylidene)acetic acid
SMILES: COC1=CC=C(C=C1)C(=NNC2=NC=NC3=CC=CC=C32)C(=O)O
Compound: 1-[1-(1-adamantyl)butyl]-3-(2-oxolanylmethyl)thiourea
SMILES: CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NCC4CCCO4
Compound: 1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4
Compound: N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 2-(2,5-dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazole
SMILES: CC1=CC=C(O1)C2=NN=C(O2)C3=C(C=CC(=C3)OC)OC
Compound: 1-(2-furanylmethyl)-3-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]thiourea
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=S)NCC3=CC=CO3
Compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-3,5,6-trimethyl-2-benzofurancarboxamide
SMILES: CCC1=NON=C1NC(=O)C2=C(C3=CC(=C(C=C3O2)C)C)C
Compound: 2-[3-[(4-chlorophenyl)-oxomethyl]-6-methoxy-4-oxo-1-quinolinyl]-N-(4-fluorophenyl)acetamide
SMILES: COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F
Compound: LSM-24360
SMILES: C1C(C2=C3C(=C(SC2=NC1=O)N)C(=C(C(=N3)N)C#N)N)C4=CC=CC=C4Cl
Compound: N'-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanimidamide
SMILES: CN(C)C=NC1=NN(C=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl
Compound: N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
SMILES: CCCC1=CC(=NO1)C(=O)NC2CCCCC2
Compound: 2-[[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CON=CC2=CC=C(C=C2)N(C)C
Compound: N-[(phenacylamino)-sulfanylidenemethyl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NC(=S)NCC(=O)C2=CC=CC=C2
Compound: N-[(1-adamantylamino)-oxomethyl]-2-chloroacetamide
SMILES: C1C2CC3(CC1CC(C3)C2)NC(=O)NC(=O)CCl
Compound: 4-(2-furanyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
SMILES: C1=CC(=CN=C1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3
Compound: 4-[[(2,4-difluoroanilino)-sulfanylidenemethyl]hydrazo]-N-(3,4-dimethylphenyl)-4-oxobutanamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC2=C(C=C(C=C2)F)F)C
Compound: 4-[[(2-nitrophenyl)-oxomethyl]amino]benzoic acid propyl ester
SMILES: CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
Compound: 5-(2-naphthalenylmethylidene)-1,3-diazinane-2,4,6-trione
SMILES: C1=CC=C2C=C(C=CC2=C1)C=C3C(=O)NC(=O)NC3=O
Compound: 5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1CC3=CC=CC=C3)C(F)(F)F
Compound: 4-(2-bromo-4-methylphenyl)-3-[5-(2-furanyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4)Br
Compound: 3-(4-chlorophenyl)-1-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-1-methylurea
SMILES: C[C@@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@H](CN(C)C(=O)NC2=CC=C(C=C2)Cl)OC
Compound: 3-chloro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILES: C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
Compound: 3-chloro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILES: C[C@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
Compound: N-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SMILES: C[C@H](CN([C@H](C)CO)C(=O)C1=CC=CC=C1)[C@H](CN(C)CC2=CC3=C(C=C2)OCO3)OC
Compound: N-(2-furanylmethyl)-2-benzofurancarboxamide
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)NCC3=CC=CO3
Compound: N-(2,5-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4
Compound: N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamide
SMILES: CN1C2=C(C=C1C(=O)N3CCCC(C3)C(=O)NCCCSC4CCCCC4)SC=C2
Compound: N-(3-methylbutyl)-6-(4-morpholinylsulfonyl)-2-pyridin-4-yl-4-quinolinecarboxamide
SMILES: CC(C)CCNC(=O)C1=CC(=NC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=NC=C4
Compound: N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4
Compound: N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide
SMILES: CCCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC
Compound: 3,4,5-trimethoxy-N-[[[oxo-[(1S,2S)-2-phenylcyclopropyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3
Compound: 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C
Compound: 2-[[2-furanyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3
Compound: 2-(4-phenyl-1-piperazinyl)quinoxaline
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3
Compound: N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-thiophenecarboxamide
SMILES: CC1=C(C=C2C(=C1)C=C(C(=O)N2)CCNC(=O)C3=CC=CS3)C
Compound: 3,5-bis(4-methoxyphenyl)-1H-imidazole-2-thione
SMILES: COC1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)OC
Compound: N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
SMILES: C1=CSC(=C1)CC(=O)NCC2=CC=C(C=C2)F
Compound: 4-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O
Compound: 1-(2,6-dimethylphenyl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]thiourea
SMILES: CC1=C(C(=CC=C1)C)NC(=S)NCCCN2CCCC2=O
Compound: 2-[4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxo-1-imidazolidinyl]-N-(3-methylphenyl)acetamide
SMILES: CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C)O
Compound: 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
SMILES: CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC=CC(=C3)C(=O)O
Compound: 2-[(4-chlorophenyl)sulfonylmethylidene]-4-thiazolidinone
SMILES: C1C(=O)NC(=CS(=O)(=O)C2=CC=C(C=C2)Cl)S1
Compound: 2-fluoro-N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]benzamide
SMILES: CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3F
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(4-methylphenyl)thio]methyl]-N-[(phenylmethylene)amino]-4-triazolecarboxamide
SMILES: CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC=C4
Compound: 3-(2-methoxyphenyl)-2-phenyl-2-propenoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester
SMILES: CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C(=CC2=CC=CC=C2OC)C3=CC=CC=C3
Compound: 1-butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinone
SMILES: CCCCN1C(=CC(=C(C1=O)S(=O)(=O)C2=CC=CC=C2C)C)C
Compound: N-phenylcarbamic acid 2-phenoxyethyl ester
SMILES: C1=CC=C(C=C1)NC(=O)OCCOC2=CC=CC=C2
Compound: 2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES: C1C[N+](=CC2=CC(=C(C=C2)Cl)Cl)N=C1[O-]
Compound: (2,4-dichlorophenyl)-[4-[4-(methoxyiminomethyl)-2-nitrophenyl]-1-piperazinyl]methanone
SMILES: CON=CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]
Compound: 2-chloro-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone
SMILES: CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCl
Compound: 5-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILES: CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)O)C
Compound: 3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-(2-fluorophenyl)-2-propenenitrile
SMILES: CN1C2=C(C=C(C=C2)C=C(C#N)C3=CC=CC=C3F)N(C1=O)C
Compound: 6-methyl-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILES: CN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4
Compound: N2-[(3,4-dimethoxyphenyl)methylideneamino]-N4-phenyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine
SMILES: COC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCCCC4)OC
Compound: 4-[[5-(4-fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile
SMILES: CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C
Compound: 1-methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile
SMILES: CN1C2=CC=CC=C2C(=C1CSC3=CC=CC=C3)C#N
Compound: 2-[[[4-[[(diphenylmethyl)amino]-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)CNC(=O)C1=C(N=CN1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3
Compound: 1-[1-(2-benzofuranyl)ethylideneamino]-3-(2-methylphenyl)thiourea
SMILES: CC1=CC=CC=C1NC(=S)NN=C(C)C2=CC3=CC=CC=C3O2
Compound: (S)-salsolinol
SMILES: C[C@@H]1NCCC2=C1C=C(O)C(O)=C2
Compound: 5-[(2-chlorophenyl)thio]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC=C3Cl
Compound: 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILES: COC1=C(C=C(C=C1)Cl)C2=NNC(=S)O2
Compound: LSM-24412
SMILES: COC(=O)CSC1=NC=NC2=C1SC3=NC(=C4CCCCC4=C23)N5CCOCC5
Compound: 1-butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-pyrimidinone
SMILES: CCCSC1=NC(=O)C(=C(N1C(C)CC)O)CC