MonarchInit/C3PO huggingface dataset:
Compound: 2-butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine
SMILES: CCCCC1=NC2=CC(=C(N=C2N1CC3=CC(=CC=C3)Cl)C)N
Compound: 1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone
SMILES: C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3
Compound: N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide
SMILES: CCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C
Compound: 2-(2-chlorophenoxy)-N-[(8-methyl-3,4-dihydro-2H-1-benzopyran-4-ylidene)amino]acetamide
SMILES: CC1=CC=CC2=C1OCCC2=NNC(=O)COC3=CC=CC=C3Cl
Compound: [1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
SMILES: CC1=C(NC2=C1C=CC=C2Cl)CN3CCC(CC3)(CCOC4=CC=CC=C4)CO
Compound: 4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide
SMILES: C1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F
Compound: 1-(2-chlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
SMILES: C1=CC=C(C(=C1)NC(=S)NC2=CC3=C(C=C2)NC(=O)N3)Cl
Compound: 4-(3-chlorophenyl)sulfonyl-N-cyclohexyl-N-methyl-3-nitrobenzamide
SMILES: CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]
Compound: [5-(4-nitrophenyl)-2-furanyl]-(1-piperidinyl)methanone
SMILES: C1CCN(CC1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 2-[[4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(OC(C3)C)C)S1)C)C
Compound: 2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]imidazo[1,2-a]pyrimidine
SMILES: C1=CC=C(C=C1)N2C=NN=C2SCC3=CN4C=CC=NC4=N3
Compound: 9-oxo-3-fluorenecarboxylic acid (phenylmethyl) ester
SMILES: C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C43
Compound: 4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol
SMILES: C1COCCN1C2=C(C=C(O2)C=NC3=CC=C(C=C3)O)Br
Compound: 2-(butylamino)benzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
SMILES: CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
Compound: 1,7,7-trimethyl-N'-(4-nitrophenyl)-2-oxo-4-bicyclo[2.2.1]heptanecarbohydrazide
SMILES: CC1(C2(CCC1(CC2=O)C(=O)NNC3=CC=C(C=C3)[N+](=O)[O-])C)C
Compound: 2-fluorobenzoic acid (4-methoxycarbonylphenyl) ester
SMILES: COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2F
Compound: N'-(1,3-benzoxazol-2-yl)benzohydrazide
SMILES: C1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3O2
Compound: 3-benzamido-5-bromo-2-benzofurancarboxylic acid methyl ester
SMILES: COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)NC(=O)C3=CC=CC=C3
Compound: 2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SMILES: CC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3
Compound: 5-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-2-chloro-N,N-dimethylbenzenesulfonamide
SMILES: CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C
Compound: 1-(3-chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC(=CC=C2)Cl)NS(=O)(=O)C3=CC=CS3
Compound: 3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl
Compound: 4-methyl-3-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]benzoic acid methyl ester
SMILES: CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=CC=CC=C3C2=O
Compound: 3-(2-phenoxyethyl)-1,3-benzothiazol-2-one
SMILES: C1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC2=O
Compound: 1-[(5-bromo-2-thiophenyl)sulfonyl]-3-methylpiperidine
SMILES: CC1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br
Compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-ethoxyphenyl)methylideneamino]-5-[(4-methyl-1-piperidinyl)methyl]-4-triazolecarboxamide
SMILES: CCOC1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC(CC4)C
Compound: 2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamide
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3CCCCC3)C
Compound: 5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
SMILES: C1=CC(=CC=C1C2=CSC3=C2C(=S)NC=N3)Cl
Compound: 4-[[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]amino]-4-oxobutanoic acid
SMILES: CCC1=CC(=C(S1)NC(=O)CCC(=O)O)C(=O)C2=CC=C(C=C2)OC
Compound: 2,5-dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester
SMILES: CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(OC(=C3)C)C
Compound: 4,5-dimethoxy-2-[(1-oxo-2-phenoxypropyl)amino]benzoic acid
SMILES: CC(C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)OC2=CC=CC=C2
Compound: N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamide
SMILES: C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(C3=CC4=C(C=C3)OCO4)C(=O)CNC(=O)C5=CC=CO5
Compound: N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[4-propyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CCCN1C(=NN=C1SCC(=O)NC2=NN=C(S2)C3=CC=CC=C3)C4=CC=CC=N4
Compound: 6-(2,4-dichlorophenyl)-1,5-diazabicyclo[3.1.0]hexane
SMILES: C1CN2C(N2C1)C3=C(C=C(C=C3)Cl)Cl
Compound: 12-(4-ethoxyphenyl)-9,10,11a,12-tetrahydro-8H-benzo[b][4,7]phenanthrolin-11-one
SMILES: CCOC1=CC=C(C=C1)C2C3C(=NC4=C2C5=C(C=C4)N=CC=C5)CCCC3=O
Compound: 6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN2C(=N1)C=CC(=N2)OC3=CC=C(C=C3)OC
Compound: 6-[(1H-benzimidazol-2-ylthio)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CSC4=NC5=CC=CC=C5N4
Compound: N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-pyridinecarboxamide
SMILES: CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC=NC=C2
Compound: 2-(3,5-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
SMILES: CC1=CC(=CC(=C1)OCC(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2)C
Compound: N-cyclopropyl-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2CC2
Compound: N-[2-chloro-1-(4-methylphenyl)sulfonylethenyl]benzamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CCl)NC(=O)C2=CC=CC=C2
Compound: 4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole
SMILES: C1=CC(=CC=C1OCCN2C=NC(=C2Cl)Cl)Cl
Compound: 4-[(3-methoxyphenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CS3
Compound: 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILES: C1CC2CN(CCN2C1)C(=O)C3=CNN4C3=NC(CC4C(F)(F)F)C5=CC=C(C=C5)Br
Compound: 3-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]propanoic acid
SMILES: C1=CC2=NC(=CC(=O)N2C=C1)CSC3=NC4=C(C(=O)N3CCC(=O)O)SC=C4
Compound: 5-[(6-nitro-1,3-benzodioxol-5-yl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: C1OC2=C(O1)C=C(C(=C2)NN=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]propanamide
SMILES: CC1=CC=C(C=C1)SC(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC
Compound: 6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
SMILES: CC(=C)COC1=CC(=O)C(=C2C(=CN=C(N2)N)OC3=CC=C(C=C3)OC)C=C1
Compound: 1-[[2-furanyl(oxo)methyl]amino]-3-(3-methylphenyl)thiourea
SMILES: CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CO2
Compound: 5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole
SMILES: CC1=CC=C(C=C1)COC2=C(SC=C2)C3=NC(=NN3)SC
Compound: N-(3-methyl-4-oxo-1-benzopyran-2-yl)carbamic acid ethyl ester
SMILES: CCOC(=O)NC1=C(C(=O)C2=CC=CC=C2O1)C
Compound: 1-(4-methoxyphenyl)-2-(5-thiophen-2-yl-2-tetrazolyl)ethanone
SMILES: COC1=CC=C(C=C1)C(=O)CN2N=C(N=N2)C3=CC=CS3
Compound: 1-(3-bromophenyl)-5-(3-thiophenylmethylidene)-1,3-diazinane-2,4,6-trione
SMILES: C1=CC(=CC(=C1)Br)N2C(=O)C(=CC3=CSC=C3)C(=O)NC2=O
Compound: 4-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-1-phthalazinone
SMILES: CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4
Compound: 3,4-diethoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
SMILES: CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NOC(=C2)C)OCC
Compound: 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3-pyridinyl)-1,2,4-oxadiazole
SMILES: CC1=CC=C(C=C1)C2=NC(=C(C=C2)C3=NOC(=N3)C4=CN=CC=C4)OC
Compound: 1-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea
SMILES: COC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3OC
Compound: 1-[(6-methoxy-2-furo[2,3-b]quinolinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(O2)N=C4C=CC(=CC4=C3)OC
Compound: 3-(4-ethyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-2-naphthalenone
SMILES: CCN1C(=C2C=C3C=CC=CC3=CC2=O)NNC1=S
Compound: 4-[(4-methoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione
SMILES: COC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)OC
Compound: 7-hydroxy-4-methyl-1H-quinolin-2-one
SMILES: CC1=CC(=O)NC2=C1C=CC(=C2)O
Compound: 3-[4-(2-furanylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-2-naphthalenone
SMILES: C1=CC2=CC(=C3NNC(=S)N3CC4=CC=CO4)C(=O)C=C2C=C1
Compound: 4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide
SMILES: COC1=CC=C(C=C1)C2=CC(=NO2)CCCC(=O)NCC3=CC=CC=N3
Compound: 2,3-dichloro-N'-[4-(trifluoromethyl)-2-pyrimidinyl]benzenesulfonohydrazide
SMILES: C1=CC(=C(C(=C1)Cl)Cl)S(=O)(=O)NNC2=NC=CC(=N2)C(F)(F)F
Compound: N-[2-[(cyclohexylamino)-oxomethyl]phenyl]-4-methyl-3-(4-morpholinylsulfonyl)benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)S(=O)(=O)N4CCOCC4
Compound: N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-(4-morpholinyl)acetamide
SMILES: C1CN(C2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)CN4CCOCC4)S(=O)(=O)C5=CC=CC=C5
Compound: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
SMILES: CC1=CC(=C(C=C1)C)NC(=S)NCC2=CC3=C(C=C2)OCO3
Compound: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(2-pyridinyl)-1H-1,2,4-triazole-5-thione
SMILES: C1OC2=C(O1)C=C(C(=C2)C=NN3C(=NNC3=S)C4=CC=CC=N4)[N+](=O)[O-]
Compound: 1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILES: C1CCC(CC1)N2CCC3=C(C4=CC=CC=C4N=C32)N
Compound: 1-[7-(2,4-dichlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILES: CC1=C(C(N2C(=N1)N=CN2)C3=C(C=C(C=C3)Cl)Cl)C(=O)C
Compound: N-[2-[2-[2-[[oxo(3-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]-3-pyridinecarboxamide
SMILES: C1=CC(=CN=C1)C(=O)NCCOCCOCCNC(=O)C2=CN=CC=C2
Compound: 2-methyl-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]thione
SMILES: CC1=NC(=S)C2=C(N1)C3=CC=CC=C3CC24CCCCC4
Compound: 4-[(2-chlorophenyl)hydrazo]-5-methyl-3-pyrazolone
SMILES: CC1=C(C(=O)N=N1)NNC2=CC=CC=C2Cl
Compound: 3'-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CN3C(=O)C4(CCCC5=C4C=CS5)NC3=O
Compound: 3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6
Compound: 2-(2-furanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b][1,3]oxazin-4-one
SMILES: C1CCC2=C(CC1)SC3=C2C(=O)OC(=N3)C4=CC=CO4
Compound: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4
Compound: 3-nitro-N'-(2-pyrrolylidenemethyl)benzohydrazide
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC=C2C=CC=N2
Compound: N-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)OC)OC
Compound: N-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
SMILES: CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=NNC(=O)CC3(OCCO3)C
Compound: N'-[4-(dimethylamino)phenyl]-N-propyloxamide
SMILES: CCCNC(=O)C(=O)NC1=CC=C(C=C1)N(C)C
Compound: 5-methyl-2-phenyl-4-propan-2-ylidene-3-pyrazolone
SMILES: CC1=NN(C(=O)C1=C(C)C)C2=CC=CC=C2
Compound: 5-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylidene]-3-methylthiazolidine-2,4-dione
SMILES: CN1C(=O)C(=CC2=CC(=C(C=C2OC)N3CCCC3)OC)SC1=O
Compound: 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
SMILES: COC1=C(C=CC(=C1)C(C#N)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O
Compound: 4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine
SMILES: CC1=CC=CC(=C1)C2=C(N(N=C2)C3=CC(=CC=C3)[N+](=O)[O-])N
Compound: 2-(3-ethylphenoxy)-N-[4-(2-pyridinylsulfamoyl)phenyl]acetamide
SMILES: CCC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3
Compound: (4-chlorophenyl)-(7-methyl-3-imidazo[1,2-a]pyridinyl)methanone
SMILES: CC1=CC2=NC=C(N2C=C1)C(=O)C3=CC=C(C=C3)Cl
Compound: 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
SMILES: CN(C)CCN1CCC2=CC=CC=C21
Compound: 4-methyl-N,5-diphenyl-3-thiophenecarboxamide
SMILES: CC1=C(SC=C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3
Compound: N-(3-cyanophenyl)-2-(4-ethyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetamide
SMILES: CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC(=C2)C#N)C3=CC=CC=C3
Compound: 1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CC(C)OCCCNC1=NC=NC2=C1C=NN2C3=CC=CC=C3
Compound: N-(2-aminophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide
SMILES: CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3N)O
Compound: 3-cyclohexyl-10-methyl-2-thiophen-2-ylpyrimido[4,5-b]quinoline-4,5-dione
SMILES: CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)C4CCCCC4)C5=CC=CS5
Compound: 1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(3-methylphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
SMILES: CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC(=C4)C
Compound: 4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone
SMILES: CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4CCCCC4
Compound: 1-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone
SMILES: CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(S2)C
Compound: 6-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILES: CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)O
Compound: 2-[(2,4-dichlorophenyl)methylthio]-1-methylimidazole
SMILES: CN1C=CN=C1SCC2=C(C=C(C=C2)Cl)Cl
Compound: N4-(2,5-dimethoxyphenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
SMILES: CC(C)CCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N
Compound: N-[2-[5-[(4-chlorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-4-fluoro-3-(4-morpholinylsulfonyl)benzamide
SMILES: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCN3C(=O)C(=CC4=CC=C(C=C4)Cl)SC3=O)F
Compound: 7-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C)Cl
Compound: 4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester
SMILES: CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4
Compound: N-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SMILES: CNC1=NN=C(S1)C2=CC=NC=C2
Compound: 6-(2-furanyl)-3-(2-pyridinylmethylthio)-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: C1=CC=NC(=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=CO4
Compound: 4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CSC(=C3)C(C)C
Compound: N-(2-chloro-3-pyridinyl)-3-oxo-3-phenylpropanamide
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)NC2=C(N=CC=C2)Cl
Compound: 2,5-didehydro-D-gluconate
SMILES: OCC(=O)[C@@H](O)[C@H](O)C(=O)C([O-])=O
Compound: 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester
SMILES: CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4N2N=CC4
Compound: 6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILES: CC1=CC=CC=C1NC(=O)C2=C(NC(=O)NC2C3=CC=CC=C3)C
Compound: N-(5-methyl-3-isoxazolyl)-3-phenyl-2-propenamide
SMILES: CC1=CC(=NO1)NC(=O)C=CC2=CC=CC=C2
Compound: LSM-25954
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)C3C(N(C(=O)C3=O)CCN(C)C)C4=C(C(=CC=C4)OC)OC
Compound: 1-[bis(prop-2-enyl)amino]-3-(9-carbazolyl)-2-propanol
SMILES: C=CCN(CC=C)CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O
Compound: 5-bromo-4-chloro-2-[[(4-fluorophenyl)methylamino]methylidene]-1H-indol-3-one
SMILES: C1=CC(=CC=C1CNC=C2C(=O)C3=C(N2)C=CC(=C3Cl)Br)F
Compound: N'-(2,4-dichlorophenyl)sulfonyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanimidamide
SMILES: C1=CC=C(C=C1)N2C=NC(=N2)OCC(=NS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)N
Compound: 6-[4-[4-(phenylmethyl)-1-piperazinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=NC(=C4C=CC=CC4=O)NC5=CC=CC=C53
Compound: [4-[[5-(2,4-dichlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone
SMILES: C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=NOC(=C3)C4=C(C=C(C=C4)Cl)Cl
Compound: N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
SMILES: CC1=NC(=C2C3=C(CCC3)SC2=N1)NCC4=CC=CO4
Compound: N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)N2CCCN(C2)CC3=CC=C(C=C3)F)C
Compound: 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-phenyl-1H-pyrimidin-4-one
SMILES: CC(=NNC1=NC(=O)C=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC
Compound: 3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[[6-methoxy-2-oxo-3-[(2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-7-yl]oxy]-2-oxanyl]methoxy]pentanoic acid
SMILES: CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C=C(C(=O)OC3=C2)OC4=CC5=C(C=C4)C=CC(=O)O5)OC)O)O)O)O
Compound: LSM-25964
SMILES: COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCO)OC
Compound: [4-(4-hydroxyphenyl)phenyl]-phenylmethanone
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O
Compound: 2-[(6-chloro-1-benzotriazolyl)oxy]-N-(4-fluorophenyl)acetamide
SMILES: C1=CC(=CC=C1NC(=O)CON2C3=C(C=CC(=C3)Cl)N=N2)F
Compound: 2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione
SMILES: CCN1C(=CC(=C1C)C=C2C(=O)C3=CC=CC=C3C2=O)C
Compound: 4-[5-[[[2-(2-methyl-1,3-dioxan-2-yl)-1-oxoethyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid methyl ester
SMILES: CC1(OCCCO1)CC(=O)NN=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OC
Compound: N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4
Compound: 2-chloro-5-[2-[1-(2-pyridinyl)ethylidene]hydrazinyl]benzoic acid
SMILES: CC(=NNC1=CC(=C(C=C1)Cl)C(=O)O)C2=CC=CC=N2
Compound: 3-(4-chlorophenyl)-N-cyclopropyl-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide
SMILES: CN1C2=C(C=C(S2)C(=O)NC3CC3)C(=N1)C4=CC=C(C=C4)Cl
Compound: 2-(ethylthio)-5-(phenylmethylene)-1H-imidazol-4-one
SMILES: CCSC1=NC(=O)C(=CC2=CC=CC=C2)N1
Compound: 6-[(2-ethylphenyl)sulfamoyl]-N-(2-furanylmethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILES: CCC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCC4=CC=CO4
Compound: N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC=N3
Compound: N-[(3-chlorophenyl)methylideneamino]-2-[(4-methylphenyl)sulfonyl-(8-quinolinyl)amino]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NN=CC2=CC(=CC=C2)Cl)C3=CC=CC4=C3N=CC=C4
Compound: 2-[[2,2,2-trichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
SMILES: CC(C)(C)C(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCC2)C(=O)OC
Compound: 2-(3-imidazo[1,5-a]pyridinylthio)-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NC=C3N2C=CC=C3
Compound: 2-(anilinomethylidene)-5-(3-chlorophenyl)cyclohexane-1,3-dione
SMILES: C1C(CC(=O)/C(=C\NC2=CC=CC=C2)/C1=O)C3=CC(=CC=C3)Cl
Compound: N-(2,4-difluorophenyl)-6-(propylthio)-3-pyridinecarboxamide
SMILES: CCCSC1=NC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
Compound: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
SMILES: CCSC1=NN=C(S1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4OC)SCC3
Compound: 1-(2-nitrophenyl)-N-[4-(2-pyridinyl)-1-piperazinyl]methanimine
SMILES: C1CN(CCN1C2=CC=CC=N2)N=CC3=CC=CC=C3[N+](=O)[O-]
Compound: N-[5-acetyl-6-[2-(dimethylamino)ethenyl]-2-oxo-3-pyranyl]-3-(trifluoromethyl)benzamide
SMILES: CC(=O)C1=C(OC(=O)C(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C=CN(C)C
Compound: 2-[4-(2-furanylmethyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyridine
SMILES: C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4
Compound: 2-methylbenzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester
SMILES: CC1=CC=CC=C1C(=O)ON=C2CCS(=O)(=O)C3=C2C=CS3
Compound: 2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile
SMILES: CCOC1=CC=C(C=C1)NC2=CC(=NC(=N2)C=C(C#N)C#N)NC3=CC=CC=C3OCC
Compound: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILES: COC1=C(C=C(C=C1)CCN2C(=NNC2=S)C3=CC=NC=C3)OC
Compound: 2-(3-cyano-4,5,6-trimethyl-1H-pyridin-2-ylidene)propanedinitrile
SMILES: CC1=C(NC(=C(C#N)C#N)C(=C1C)C#N)C
Compound: 3-[2-(4-chlorophenyl)-4-thiazolyl]-4-ethyl-1H-1,2,4-triazole-5-thione
SMILES: CCN1C(=NNC1=S)C2=CSC(=N2)C3=CC=C(C=C3)Cl
Compound: 3-(5-tert-butyl-1,2,4-oxadiazol-3-ylidene)-7-methyl-2-quinolinone
SMILES: CC1=CC2=NC(=O)C(=C3NOC(=N3)C(C)(C)C)C=C2C=C1
Compound: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-furancarboxamide
SMILES: CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CO3
Compound: 2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethanethioamide
SMILES: C1=CC(=CC=C1NN=C(C#N)C(=S)N)Cl
Compound: N-(1,3-benzothiazol-2-yl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=NC3=CC=CC=C3S2
Compound: 5-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-2-furancarboxamide
SMILES: C1=CC=C(C(=C1)CN2C=CC(=N2)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Cl)Cl)F
Compound: 4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=CC(=C1)CC2=NNC(=S)N2CC3=CC=CO3
Compound: 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OCC(=O)OC(C)(C)C
Compound: 4-oxo-N-(7-quinolinylmethylideneamino)-1H-quinazoline-2-carboxamide
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NN=CC3=CC4=C(C=CC=N4)C=C3
Compound: 3-[5-[3-(3-butoxy-3-oxopropyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid butyl ester
SMILES: CCCCOC(=O)CCN1C(=O)C(=C2C(=O)N(C(=S)S2)CCC(=O)OCCCC)SC1=S
Compound: 5,7-dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid
SMILES: CC1=C(OC2=C(C(=C(C=C12)Br)OC)Br)C(=O)O
Compound: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole
SMILES: CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CO3
Compound: 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=NN2C3CCCCC3
Compound: 5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide
SMILES: CCC1=CC=C(S1)S(=O)(=O)NCCC2=CSC(=N2)C3=CC=CC=C3
Compound: 4-chloro-N-[2-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide
SMILES: CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl
Compound: 2-[[4-(3-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid
SMILES: CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC(=CC=C3)OC)SCC(=O)O
Compound: 4,6-diphenyl-N-(3-pyridinylmethylideneamino)-2-pyrimidinamine
SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)NN=CC3=CN=CC=C3)C4=CC=CC=C4
Compound: 3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)F
Compound: 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester
SMILES: CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC
Compound: 4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=C(C(=CC=C3)[N+](=O)[O-])O)C4=C(NN(C4=O)C5=CC=CC=C5)C
Compound: N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
SMILES: CCN1C(=C(C=N1)C(=O)NC2=CC(=CC=C2)Cl)C
Compound: 2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
SMILES: COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
Compound: N-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILES: COC1=CC2=C(C=C1)NC3=C2N=CN=C3NCC4=CC=CO4
Compound: LSM-26012
SMILES: C1CC(=NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O)CC(=O)C1
Compound: N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-2-thiazolyl]-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]
Compound: N-butyl-N-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide
SMILES: CCCCN(C)C(=O)CCC(=O)NNC1=NC2=CC=CC=C2C3=NC(=NN31)C
Compound: (4-ethoxyphenyl)-[4-[(4-ethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone
SMILES: CCOC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)OCC
Compound: 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3CC(=O)NC4=CC=CC=C43
Compound: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-2-propenamide
SMILES: C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C=CC3=CC=C(C=C3)F)N
Compound: N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine
SMILES: CCCC1=NC2=C(C(=NN2C(=C1)NCCCN3C=CN=C3)C)C4=CC=CC=C4
Compound: 2-(1,3-benzoxazol-2-yl)-3-(4-hydroxy-2-methylanilino)-2-propenenitrile
SMILES: CC1=C(C=CC(=C1)O)NC=C(C#N)C2=NC3=CC=CC=C3O2
Compound: 2-[2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol
SMILES: C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)NCCOCCO)Cl
Compound: 4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILES: CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)C4=C(NNC4=O)C
Compound: N-[6-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide
SMILES: CC1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3
Compound: N-(4-methyl-5-thiadiazolyl)carbamic acid 2-methylpropyl ester
SMILES: CC1=C(SN=N1)NC(=O)OCC(C)C
Compound: 2-[(5-ethyl-2-thiophenyl)-oxomethyl]benzoic acid
SMILES: CCC1=CC=C(S1)C(=O)C2=CC=CC=C2C(=O)O
Compound: N-[3-(2-chlorophenyl)-4-oxo-2-thiazolidinylidene]benzamide
SMILES: C1C(=O)N(C(=NC(=O)C2=CC=CC=C2)S1)C3=CC=CC=C3Cl
Compound: 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C3)N=C(S4)N
Compound: 2-imino-N,8-dimethyl-5-oxo-1-propan-2-yl-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarboxamide
SMILES: CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NC)C=C1
Compound: 4-[2-(2,4-dioxopentan-3-ylidene)hydrazinyl]benzoic acid
SMILES: CC(=O)C(=NNC1=CC=C(C=C1)C(=O)O)C(=O)C
Compound: N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
SMILES: C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3OC5=CC=CC=C54
Compound: 4-methyl-2-(2-naphthalenyl)-1-phthalazinone
SMILES: CC1=NN(C(=O)C2=CC=CC=C12)C3=CC4=CC=CC=C4C=C3
Compound: 4-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)C4=CC=CO4
Compound: 2,4,5-trimethoxy-N-(2-phenylphenyl)benzamide
SMILES: COC1=CC(=C(C=C1C(=O)NC2=CC=CC=C2C3=CC=CC=C3)OC)OC
Compound: 3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1H-quinolin-2-one
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)C(C3=NN=NN3C4CCCC4)N5CCC6=CC=CC=C6C5
Compound: 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC
Compound: 3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
SMILES: COC1=CC=C(C=C1)C2=NC=C3N2C=CC=C3
Compound: N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamide
SMILES: CCCCC(=O)NC(=S)NNC(=O)CCC1=CC=CC=C1
Compound: 3-[[2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OCC)CNC3=CC=C(C=C3)C
Compound: 2,3-dihydroindol-1-yl-(1-methyl-4-pyrazolyl)methanone
SMILES: CN1C=C(C=N1)C(=O)N2CCC3=CC=CC=C32
Compound: 3-thiophen-2-yl-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
SMILES: C1=CSC(=C1)C=NN2C(=NNC2=S)C3=CC=CS3
Compound: N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
SMILES: CC1=NC(=CC=C1)NC(=O)NC(=O)C2=CC=CC=C2
Compound: 1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazine
SMILES: C1CN(CCN1C2=CC=CC=C2)C(C3=CN=CC=C3)C4=NN=NN4CC5=CC=CC=C5
Compound: 5-[(4-chlorophenyl)-oxomethyl]-2-(dimethylaminomethylidene)-3-oxo-7-pyrrolo[2,1-b]thiazolecarboxylic acid methyl ester
SMILES: CN(C)C=C1C(=O)N2C(=CC(=C2S1)C(=O)OC)C(=O)C3=CC=C(C=C3)Cl
Compound: 2-[(5-bromo-2-thiophenyl)sulfonylamino]-N-cyclopentyl-2-phenylacetamide
SMILES: C1CCC(C1)NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br
Compound: 2-amino-N-[[4-(1,3-benzodioxol-5-ylamino)-4-oxobutan-2-ylidene]amino]benzamide
SMILES: CC(=NNC(=O)C1=CC=CC=C1N)CC(=O)NC2=CC3=C(C=C2)OCO3
Compound: N-(1,3-benzothiazol-2-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
SMILES: CN1C=CN=C1SCC(=O)NC2=NC3=CC=CC=C3S2
Compound: 3-[(2,5-dichlorophenoxy)methyl]-N-(2,6-dimethylphenyl)benzamide
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC=C2)COC3=C(C=CC(=C3)Cl)Cl
Compound: (8R)-7-[(2-benzoylphenyl)-oxomethyl]-3-[3-[(1-oxo-3,3-diphenylpropyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide
SMILES: C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C(=O)C7=CC=CC=C7)C(=O)N
Compound: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC3C(=O)NC4=CC=CC=C4S3
Compound: 4-[2-[(2,4-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]morpholine
SMILES: CC1=CC(=NC(=N1)SCC2=C(C=C(C=C2)Cl)Cl)N3CCOCC3
Compound: 4-[[5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazinecarboxaldehyde
SMILES: C1CN(CCN1C=O)C(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3
Compound: 3-(4-ethoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea
SMILES: CCOC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=CC5=C(C=C4NC3=O)OCCO5
Compound: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
SMILES: CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
Compound: N-(4-methoxyphenyl)-N-thiophen-2-ylsulfonyl-2-furancarboxamide
SMILES: COC1=CC=C(C=C1)N(C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=CS3
Compound: 6-(2-furanyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=CC=C3)C)C4=CC=CO4
Compound: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
SMILES: CC1(CC(=O)C(C(=O)C1)CC2C(=O)CC(CC2=O)(C)C)C
Compound: 2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid
SMILES: CCOC1=CC=C(C=C1)C2=NN3C=C(C(=NC3=C2)C4CCN(CC4)C(=O)OC(C)(C)C)C(=O)O
Compound: 1,5,6-trimethyl-2,2,4-trioxo-N-phenyl-3-thieno[2,3-c]thiazinecarboxamide
SMILES: CC1=C(SC2=C1C(=O)C(S(=O)(=O)N2C)C(=O)NC3=CC=CC=C3)C
Compound: 2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide
SMILES: CC1=CC(=C(C=C1)OCC(=O)NCC2=CC=CC=N2)Br
Compound: 2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one
SMILES: COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5CCOCC5
Compound: 4-[4-(2-furanylmethyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyridine
SMILES: C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4
Compound: N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-furancarboxamide
SMILES: C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC=CS3)C(=O)CNC(=O)C4=CC=CO4
Compound: 4-[2-(4-methoxycarbonylphenyl)iminohydrazinyl]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NN=NC2=CC=C(C=C2)C(=O)OC
Compound: 5-bromo-N-(2-pyridinylmethyl)-2-thiophenesulfonamide
SMILES: C1=CC=NC(=C1)CNS(=O)(=O)C2=CC=C(S2)Br
Compound: 3-[(2-chloro-6-fluorophenyl)methyl]-5-fluoro-1-(2-oxolanyl)pyrimidine-2,4-dione
SMILES: C1CC(OC1)N2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)F)F
Compound: N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxybutanamide
SMILES: CCC(C(=O)NC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CO3)OC4=CC=CC=C4
Compound: 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
SMILES: CCN(CC)CCN1C2=C(COC(C2)(C)C)C(=S)N=C1C3=CC=C(C=C3)C
Compound: N-(3,4-dimethylphenyl)-5-(2-furanyl)-3-isoxazolecarboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=NOC(=C2)C3=CC=CO3)C
Compound: 4,6-dimethyl-2-(methylthio)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one
SMILES: CN1C2C(N=C(N2)SC)N(C1=O)C
Compound: N-[4-(dimethylamino)phenyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC4=CC=CC=C4N3C=N2
Compound: 1-(2,4-dimethoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)imino]propan-1-one
SMILES: CC1=CC(=NO1)N=CCC(=O)C2=C(C=C(C=C2)OC)OC
Compound: 3-amino-4-chlorobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester
SMILES: C1CCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N
Compound: 4-(4-chlorobenzoyl)-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenylpyrrolidine-2,3-dione
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C(=O)C3=O)C(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
Compound: 3-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2-methyl-4-quinazolinone
SMILES: CC1=NC2=CC=CC=C2C(=O)N1NC=C3C=CC(=O)C=C3O
Compound: 2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide
SMILES: CN1C(=NN=N1)SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone
SMILES: COC1=C(C(=CC=C1)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
Compound: LSM-26077
SMILES: COC1=CC=C(C=C1)C2C=CCN([C@@H](C(=O)N2CC3=CC=C(C=C3)F)CC4=CC=CC=C4)C(=O)C5CC5
Compound: 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea
SMILES: CC(C)CN(CC(C)C)C(=S)NC1CCCCC1
Compound: N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide
SMILES: CCOC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3CCCCC3
Compound: 3-[2-[bis(phenylmethyl)amino]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-N-methyl-2-propenamide
SMILES: CNC(=O)C(=CC1=C(N=C2C=CC=CN2C1=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C#N
Compound: 3-(ethylthio)-6-(2-furanyl)pyridazine
SMILES: CCSC1=NN=C(C=C1)C2=CC=CO2
Compound: 3-[[(3-acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)NC2=C(SC=C2)C(=O)OC
Compound: 4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile
SMILES: COC1=CC=C(C=C1)N2C(=C(C(=O)NC23CCCCC3)C#N)S
Compound: 4-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-3-pyrazolecarboxamide
SMILES: CN1C(=C(C=N1)Cl)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)F
Compound: N-(5-chloro-2-pyridinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide
SMILES: CC1=C(C(=NN1CC(=O)NC2=NC=C(C=C2)Cl)C)[N+](=O)[O-]
Compound: 1-(2,4-dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propen-1-one
SMILES: CC1=C(C(=NN1C)C)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl
Compound: N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide
SMILES: CC(=O)NC1=NC2=CC=CC=C2N1CCOC3=CC=CC=C3Cl
Compound: 5-(4-fluorophenyl)-N-[2-(1-piperidinyl)phenyl]-4-oxazolecarboxamide
SMILES: C1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(OC=N3)C4=CC=C(C=C4)F
Compound: 3-ethyl-5-(1H-indol-3-ylmethylidene)thiazolidine-2,4-dione
SMILES: CCN1C(=O)C(=CC2=CNC3=CC=CC=C32)SC1=O
Compound: 2-[6,7-dimethoxy-3-(3-methoxyphenyl)-2,4-dioxo-1-quinazolinyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILES: CC1=CC(=NN1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)C4=CC(=CC=C4)OC)OC)OC
Compound: N-(2-phenyl-5-benzotriazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5
Compound: 2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)SCC(=O)NC4=NOC(=C4)C
Compound: 4-[(2,4-difluoroanilino)methylidene]-3-phenyl-1H-pyrazol-5-one
SMILES: C1=CC=C(C=C1)C2=NNC(=O)C2=CNC3=C(C=C(C=C3)F)F
Compound: N-[[5-(4-morpholinyl)-2-thiophenyl]methylideneamino]-N-phenylaniline
SMILES: C1COCCN1C2=CC=C(S2)C=NN(C3=CC=CC=C3)C4=CC=CC=C4
Compound: 5-ethyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC
Compound: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]acetic acid ethyl ester
SMILES: CCOC(=O)CNC(=O)C1=C(OC(=C1)C2=CC3=C(C=C2)OCCO3)C
Compound: 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione
SMILES: CCCCNC1=C(N(C(=O)NC1=O)CCC)N
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CSC6=CC=CC=C65)CCCO
Compound: 2-[[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]iminomethyl]propanedioic acid diethyl ester
SMILES: CCOC(=O)C(C=NC1=C(C=C(C=C1)C(C(=O)OCC)(C(F)(F)F)O)C)C(=O)OCC
Compound: 1,2-dihydroacenaphthylen-5-yl-[1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl]methanone
SMILES: CC1=NC(=CC=C1)CN2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3
Compound: 2-cyano-3-(4-methoxyphenyl)-2-propenoic acid (2-oxo-3-oxolanyl) ester
SMILES: COC1=CC=C(C=C1)C=C(C#N)C(=O)OC2CCOC2=O
Compound: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide
SMILES: CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl
Compound: 3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(methoxymethyl)-1,2,4-oxadiazole
SMILES: COCC1=NC(=NO1)C2=C(N=C(C=C2)C3=CC=C(C=C3)OC)OC
Compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-nitrophenyl)acetamide
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)CSC2=NNC(=N2)N
Compound: 2-[(2,4,5-trichlorophenyl)thio]-3-pyridinamine
SMILES: C1=CC(=C(N=C1)SC2=CC(=C(C=C2Cl)Cl)Cl)N
Compound: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=S)NCCCOC)C#N)C
Compound: 2-[3-(diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
SMILES: CCN(CC)CCCNC1=C(C(=CC(=N1)C)COC)C#N
Compound: 4-[1-[(3-chlorophenyl)methylamino]ethylidene]-2-(2-furanyl)-5-oxazolone
SMILES: CC(=C1C(=O)OC(=N1)C2=CC=CO2)NCC3=CC(=CC=C3)Cl
Compound: 7-nitro-5-indeno[1,2-b]pyridinone
SMILES: C1=CC2=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])N=C1
Compound: 6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILES: CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)CCC4=NNN=N4
Compound: 4-(4-chloroanilino)-3-pyridinesulfonamide
SMILES: C1=CC(=CC=C1NC2=C(C=NC=C2)S(=O)(=O)N)Cl
Compound: 6-(2-oxopropylthio)-3-pyridinecarboxylic acid
SMILES: CC(=O)CSC1=NC=C(C=C1)C(=O)O
Compound: 3-amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2N
Compound: LSM-26114
SMILES: CC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC=CO3)C(=O)OCC4=CC=CC=C4
Compound: 4-[[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]amino]benzoic acid methyl ester
SMILES: CN1C2=C(C=C1C(=O)NC3=CC=C(C=C3)C(=O)OC)SC=C2
Compound: 5-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
SMILES: CC1=CC=C(C=C1)CN2C=CC(=N2)C3=CN=C(S3)C4=CC=CC=C4
Compound: 3,4-dimethoxy-N-[4-(2,2,3,3-tetrafluoropropoxy)-3-(trifluoromethyl)phenyl]benzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(C(F)F)(F)F)C(F)(F)F)OC
Compound: 4-(3-chloro-2-thiophenyl)-2-(3-pyridinyl)thiazole
SMILES: C1=CC(=CN=C1)C2=NC(=CS2)C3=C(C=CS3)Cl
Compound: 6-[(phenylhydrazo)methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CC=C(C=C1)NNC=C2C=CC=CC2=O
Compound: 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: C1C(OC2=CC=CC=C2O1)C3=NN=C4N3N=C(S4)C5=CC=C(C=C5)F
Compound: 3-amino-4-methoxy-1H-indole-2-carbohydrazide
SMILES: COC1=CC=CC2=C1C(=C(N2)C(=O)NN)N
Compound: (4-chloro-2-methylanilino)thiourea
SMILES: CC1=C(C=CC(=C1)Cl)NNC(=S)N
Compound: 4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4
Compound: 2-[3-[3-(4-morpholinyl)propyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
SMILES: C1COCCN1CCCN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4C(=O)O
Compound: 1-(4-methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone
SMILES: CC1=CC=C(C=C1)C(=O)CSC2=NC=CN2C3=CC=CC=C3
Compound: N-(1-thiophen-2-ylethylideneamino)-2-thiophenecarboxamide
SMILES: CC(=NNC(=O)C1=CC=CS1)C2=CC=CS2
Compound: 2,4-dimethyl-5-[2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=NN2C3=CC=C(C=C3)C)C
Compound: 4-[2-[(1,2-dimethyl-3-indolyl)methylidene]hydrazinyl]benzoic acid
SMILES: CC1=C(C2=CC=CC=C2N1C)C=NNC3=CC=C(C=C3)C(=O)O
Compound: 3,5-dimethyl-4-[[(5-phenyl-3-thiazolo[2,3-c][1,2,4]triazolyl)thio]methyl]isoxazole
SMILES: CC1=C(C(=NO1)C)CSC2=NN=C3N2C(=CS3)C4=CC=CC=C4
Compound: 2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile
SMILES: C1=CC=C(C(=C1)C2=C(C(=NC(=C2C#N)SC3=CC=C(C=C3)Cl)N)C#N)Cl
Compound: 7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine
SMILES: CC1CC2=CC=CC=C2N1C3=NC=NC4=C3N=NN4CC5=CC=CC=C5
Compound: N-(1H-benzimidazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3N2
Compound: N-[2-(1-tert-butyl-3,4,6-trimethyl-5-pyrazolo[3,4-b]pyridinyl)ethyl]carbamic acid ethyl ester
SMILES: CCOC(=O)NCCC1=C(N=C2C(=C1C)C(=NN2C(C)(C)C)C)C
Compound: 1-(2-naphthalenyl)hexane-1,4-dione
SMILES: CCC(=O)CCC(=O)C1=CC2=CC=CC=C2C=C1
Compound: (5,7-dibromo-2-benzofuranyl)-(3,5-dimethyl-1-piperidinyl)methanone
SMILES: CC1CC(CN(C1)C(=O)C2=CC3=CC(=CC(=C3O2)Br)Br)C
Compound: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3-methoxypropyl)thiourea
SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=S)NCCCOC
Compound: N-[4-[[3-(4-sulfamoylanilino)-2-quinoxalinyl]sulfamoyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=C(C=C4)S(=O)(=O)N
Compound: 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide
SMILES: CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=S)N)N
Compound: 2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester
SMILES: CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3O
Compound: 2-(dimethylaminomethylidene)-3H-inden-1-one
SMILES: CN(C)C=C1CC2=CC=CC=C2C1=O
Compound: N-[(4-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILES: CN1C(=O)C=C(NC1=O)C(=O)NN=CC2=CC=C(C=C2)F
Compound: phenyl-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
SMILES: C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C(=O)C5=CC=CC=C5
Compound: benzoic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester
SMILES: C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3
Compound: acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester
SMILES: CC(=O)N1C(CC(=N1)C2=CC=CC=C2OC(=O)C)C3=CC=C(C=C3)OC
Compound: 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILES: CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCC3=CC=CS3
Compound: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NN=C(N3C)C4=C(OC=C4)C
Compound: 1-[9-ethyl-6-(1-hydroxyiminoethyl)-3-carbazolyl]ethanone oxime
SMILES: CCN1C2=C(C=C(C=C2)C(=NO)C)C3=C1C=CC(=C3)C(=NO)C
Compound: [4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-(3-pyridinyl)methanone
SMILES: C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CC=CS3
Compound: 5-bromo-3-ethyl-1H-indole-2-carboxylic acid
SMILES: CCC1=C(NC2=C1C=C(C=C2)Br)C(=O)O
Compound: 1-methyl-N-[4-(trifluoromethyl)phenyl]-4-imidazolesulfonamide
SMILES: CN1C=C(N=C1)S(=O)(=O)NC2=CC=C(C=C2)C(F)(F)F
Compound: 2-[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]methylidene]-5-phenylcyclohexane-1,3-dione
SMILES: CC1=CC(=NC(=N1)NN/C=C\2/C(=O)CC(CC2=O)C3=CC=CC=C3)C
Compound: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)ON3
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-3-(2-methoxyethyl)thiourea
SMILES: COCCNC(=S)NN=CC1=CC2=C(C=C1)OCCO2
Compound: N-[5-[2-(5-chloro-2-methylanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
SMILES: CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)C)C
Compound: 1-(2-methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yl-5-tetrazolyl)methyl]piperazine
SMILES: CC1=CC=C(C=C1)C(C2=NN=NN2C(C)C)N3CCN(CC3)C4=CC=CC=C4OC
Compound: N-[3-(4-chlorophenyl)-5-oxo-4-pyrazolidinyl]-3-methylbenzamide
SMILES: CC1=CC=CC(=C1)C(=O)NC2C(NNC2=O)C3=CC=C(C=C3)Cl
Compound: 1-(2-methoxyphenyl)-5-(phenylmethyl)-1,3,5-triazinane-2-thione
SMILES: COC1=CC=CC=C1N2CN(CNC2=S)CC3=CC=CC=C3
Compound: N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: COC1=CC=CC(=C1)C2=NOC(C2)C(=O)NC3CCCCC3
Compound: 2-[(4-chlorophenyl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILES: C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)Cl
Compound: 1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CCCC4=CC=CC=C43
Compound: 5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
SMILES: C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CC=C(S3)Br
Compound: N-(4,5-dimethyl-2-thiazolyl)cyclohexanecarboxamide
SMILES: CC1=C(SC(=N1)NC(=O)C2CCCCC2)C
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
SMILES: CCC(=O)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C3=CC=CC=C3C
Compound: 2-(1,3-benzodioxol-5-yl)-N-[(2-ethoxyphenyl)methyl]-N-(2-pyridinylmethyl)ethanamine
SMILES: CCOC1=CC=CC=C1CN(CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4
Compound: 2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SMILES: CCOC1=CC=C(C=C1)CC(=O)N2C(CC(=N2)C)(C(F)(F)F)O
Compound: 4-methyl-7-phenyl-3-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=CC=C3)N=N1)C
Compound: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl
Compound: N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamide
SMILES: CCCCCCN1C2=CC=CC=C2N=C1C(C)NC(=O)C3=CC=CO3
Compound: 6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
SMILES: CCN1CC2C(C(C(C(=C2C=C1)C#N)N)(C#N)C#N)C3=CC=CC=C3C(F)(F)F
Compound: (2S)-4-methyl-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
SMILES: CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=C(NC=N1)C(=O)NC
Compound: N-[2-[(2-furanylmethylamino)-oxomethyl]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)S(=O)(=O)N4CCCCC4
Compound: 3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
SMILES: CC1=CN=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OC
Compound: 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,5-dimethylphenyl)-3-methyl-2-furancarboxamide
SMILES: CC1=CC(=C(C=C1)C)N(CC(=O)NC2CCCC2)C(=O)C3=C(C=C(O3)C(C)(C)C)C
Compound: 1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxo-5-benzimidazolesulfonamide
SMILES: CCN1C2=C(C=C(C(=C2)C)S(=O)(=O)NC3=CC=CC=C3C)N(C1=O)CC
Compound: N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILES: CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(O2)C3=CC=CC=C3NC(=O)C4=CC=CC=C4
Compound: 1-[[(2-chlorophenyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
SMILES: CC1=CC(=C(C=C1)OC)NC(=S)NNC(=O)C2=CC=CC=C2Cl
Compound: 1-[4-(dimethylamino)phenyl]-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione
SMILES: CN(C)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)N4CCOCC4
Compound: 1-[3-(dimethylamino)propyl]-1-(phenylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea
SMILES: CN(C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F
Compound: 1-(diethylamino)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
SMILES: CCN(CC)C1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C
Compound: N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethyl-4-morpholinyl)acetamide
SMILES: CC1CN(CC(O1)C)CC(=O)NC2=NC3=CC=CC=C3S2
Compound: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4
Compound: 2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CC=C3Cl
Compound: 3-chloro-N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: C1=COC(=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F
Compound: 9-hydroxyiminofluorene-2,7-disulfonamide
SMILES: C1=CC2=C(C=C1S(=O)(=O)N)C(=NO)C3=C2C=CC(=C3)S(=O)(=O)N
Compound: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-methyl-2-thiazolyl)acetamide
SMILES: CC1=CSC(=N1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2