MonarchInit/C3PO huggingface dataset:
Compound: (3R,4S,5S,6R)-1,3,4,5,6-pentachlorocyclohexene
SMILES: [C@@H]1([C@H]([C@@H](C=C([C@@H]1Cl)Cl)Cl)Cl)Cl
Compound: 5,7-dimethyl-2-(1-pyrrolidinyl)-3-quinolinecarbonitrile
SMILES: CC1=CC(=C2C=C(C(=NC2=C1)N3CCCC3)C#N)C
Compound: 3-(2-chlorophenyl)-2-propenoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester
SMILES: COC1=CC(=CC(=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2Cl)OC
Compound: 3-chloro-7-methoxy-4-methyl-1-benzopyran-2-one
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OC)Cl
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILES: COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)F
Compound: 2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N
Compound: 2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CN=CC=C3
Compound: N'-[2-[(6-methoxy-2-methyl-4-quinolinyl)thio]-1-oxoethyl]-2-(1-naphthalenyloxy)acetohydrazide
SMILES: CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(=O)NNC(=O)COC3=CC=CC4=CC=CC=C43
Compound: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4CCCC5=CC=CC=C45
Compound: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
SMILES: CC(C)(C)C1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
Compound: LSM-17131
SMILES: CCN(CC)C1=NC(=CC2=CC=C(C=C2)OC)C(=O)N1C3=CC=CC=C3
Compound: gamma-terpinene
SMILES: CC(C)C1=CCC(C)=CC1
Compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]acetamide
SMILES: CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4
Compound: 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl ester
SMILES: CCCCOC(=O)COC1=CC(=CC2=C1C3=C(CCC3)C(=O)O2)C
Compound: N-[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: CCC1CCCCN1C(=S)NC(=O)C2=CC=CS2
Compound: 4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C3CCN(CC3)CC4=CC(=CC=C4)C(F)(F)F
Compound: 4-fluorobenzoic acid (3,4-dihydro-2H-naphthalen-1-ylideneamino) ester
SMILES: C1CC2=CC=CC=C2C(=NOC(=O)C3=CC=C(C=C3)F)C1
Compound: 2-(2-imidazo[1,2-a]pyridinylmethylthio)-6-nitro-1H-benzimidazole
SMILES: C1=CC2=NC(=CN2C=C1)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]
Compound: [4-(4-hydroxyphenyl)-1-piperazinyl]-[2-methoxy-4-(methylthio)phenyl]methanone
SMILES: COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)O
Compound: 3-methoxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3
Compound: 2-methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
SMILES: COC1=CC(=C2C(=NC3=CC=CC=C3)N4C=CNC=C4N2)C=CC1=O
Compound: N-ethyl-3-[4-morpholinyl(oxo)methyl]-4-oxo-N-phenyl-1H-quinoline-6-sulfonamide
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCOCC4
Compound: gamma-Thujaplicin
SMILES: CC(C)c1ccc(O)c(=O)cc1
Compound: 4-chloro-N-(1-hydrazinyl-2-nitroethenyl)aniline
SMILES: C1=CC(=CC=C1NC(=C[N+](=O)[O-])NN)Cl
Compound: N-(2-methyl-5-nitrophenyl)-4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-amine
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4
Compound: 2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCl
Compound: 4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide
SMILES: C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4
Compound: 5-oxo-1-(2-phenylethyl)-3-pyrrolidinecarboxylic acid
SMILES: C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)O
Compound: LSM-17147
SMILES: CCCCOC(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)(C)C)N
Compound: 2-cyano-3-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid ethyl ester
SMILES: CCOC(=O)C(=CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)C)C)OC)C#N
Compound: 8-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=C(C=C4)F)CCN5CCOCC5
Compound: N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide
SMILES: CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)Cl)C
Compound: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-[4-(methylthio)phenyl]methyl]-1,2-dihydropyrazol-3-one
SMILES: CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)SC)C3=C(NNC3=O)C
Compound: 2-[[[1,3-benzodioxol-5-ylmethyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)C(=S)NC5=CC=CC=C5C(=O)OC
Compound: 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC(=NC(=N1)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N)C
Compound: N-butyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-2-ylidene)methyl]benzamide
SMILES: CCCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C3=CC=CC=C3O2)C
Compound: N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
SMILES: C1CCC(CC1)CC(=O)NC2=NC3=CC=CC=C3S2
Compound: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester
SMILES: CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
Compound: N-(4-chlorophenyl)carbamic acid [1-(4-chlorophenyl)-4-triazolyl]methyl ester
SMILES: C1=CC(=CC=C1NC(=O)OCC2=CN(N=N2)C3=CC=C(C=C3)Cl)Cl
Compound: N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILES: COC1=CC=C(C=C1)N2CCC(C2)CNS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
Compound: 3-[5-(4-methylphenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid
SMILES: CC1=CC=C(C=C1)C2=CC=C(N2CC3CCCO3)CCC(=O)O
Compound: N-oleoyl-(4E,14Z)-sphingadienine-1-phosphocholine
SMILES: [C@@H]([C@@H](/C=C/CCCCCCCC/C=C\CCC)O)(COP(OCC[N+](C)(C)C)(=O)[O-])NC(=O)CCCCCCC/C=C\CCCCCCCC
Compound: gamma-undecanolactone
SMILES: CCCCCCC[C@H]1CCC(=O)O1
Compound: (2-amino-5-methyl-3-thiophenyl)-thiophen-2-ylmethanone
SMILES: CC1=CC(=C(S1)N)C(=O)C2=CC=CS2
Compound: 2-(1,3-benzothiazol-2-ylamino)-4-(methylthio)butanoic acid
SMILES: CSCCC(C(=O)O)NC1=NC2=CC=CC=C2S1
Compound: N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine
SMILES: C1CS(=O)(=O)CC1NC2=NC=NC(=C2[N+](=O)[O-])N
Compound: N-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILES: COC1=CC=CC=C1OCCNC(=O)C2=CC3=C(CCC3)C=C2
Compound: N-[3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC(=CC2=CC=NC=C2)C(=O)NC3=CC=C(C=C3)O
Compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=C(C#N)C4=NC5=CC=CC=C5S4
Compound: 3-methoxy-9H-carbazole
SMILES: COC1=CC2=C(C=C1)NC3=CC=CC=C32
Compound: 2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3
Compound: 3-[[(6-methyl-2-pyridinyl)amino]methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
SMILES: CC1=NC(=CC=C1)NC=C2C(=O)C3=CC=CC=C3OC2=O
Compound: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester
SMILES: COC(=O)CSC1=C(C=CC=N1)C2=NC3=CC=CC=C3N2
Compound: 4-[(2-hydroxyanilino)methylidene]-2-(2-thiazolyl)isoquinoline-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=CNC3=CC=CC=C3O)C(=O)N(C2=O)C4=NC=CS4
Compound: 3-(4-chlorophenyl)-2-(1-pyrrolidinyl)-4-quinazolinone
SMILES: C1CCN(C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
Compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,6-dimethyl-2-pyrimidinyl)guanidine
SMILES: CC1=CC(=NC(=N1)N=C(N)NC2=CC3=C(C=C2)OCCO3)C
Compound: 4-[[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=NN4C(=NNC4=S)C5=CC=CS5
Compound: 5-nitro-2-phenyl-1,3-benzoxazole
SMILES: C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]
Compound: [3-[(2-methylphenyl)methyl]-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidinyl]methanol
SMILES: CC1=CC=CC=C1CC2(CCCN(C2)CC3=CC=C(S3)C)CO
Compound: 1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone
SMILES: CC1=C(C(=NN1)SCC(=O)N2CCCCCC2)[N+](=O)[O-]
Compound: N-[2-(3-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
SMILES: CC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC(=CC=C2)OC
Compound: 4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCS2
Compound: N-(4-bromo-2-methylphenyl)-3-(1,3-dioxo-2-pyrrolo[3,4-c]pyridinyl)propanamide
SMILES: CC1=C(C=CC(=C1)Br)NC(=O)CCN2C(=O)C3=C(C2=O)C=NC=C3
Compound: k-Strophanthoside
SMILES: CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Compound: N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]acetamide
SMILES: COC1=CC(=C(C=C1)C=NNC(=O)CC2=CSC(=N2)NC3=CC=CC(=C3)C(F)(F)F)OC
Compound: N-[3-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylamino]-3-oxopropyl]-3-methoxybenzamide
SMILES: CN1C(=CC(=O)N(C1=O)C)CNC(=O)CCNC(=O)C2=CC(=CC=C2)OC
Compound: 3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester
SMILES: CC1(NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC)C(=O)OC
Compound: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazine
SMILES: C1CN(CCN1CC=CC2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4
Compound: 3,6-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2,5-dicarboxylic acid O2-cyclopentyl ester O5-methyl ester
SMILES: CC1CC2=C(C(=C(N2)C(=O)OC3CCCC3)C)C(=O)C1C(=O)OC
Compound: 2-(4-methoxyphenyl)-N'-(1,2,4-triazol-4-yl)ethanimidamide
SMILES: COC1=CC=C(C=C1)CC(=NN2C=NN=C2)N
Compound: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILES: CNC(=S)N(CC1=CC=CS1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC
Compound: 2-(butylthio)-4-oxo-1H-pyrimidine-6-carboxylic acid
SMILES: CCCCSC1=NC(=O)C=C(N1)C(=O)O
Compound: 3-bromo-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILES: COC1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)OC
Compound: 4-[4-[(1-tert-butyl-5-tetrazolyl)-pyridin-4-ylmethyl]-1-piperazinyl]phenol
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CC=NC=C2)N3CCN(CC3)C4=CC=C(C=C4)O
Compound: 2-(4-methylphenyl)-4-[(1H-1,2,4-triazol-5-ylamino)methylidene]isoquinoline-1,3-dione
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=NN4)C2=O
Compound: 4-(4-ethoxyanilino)-5-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3H-thiazol-2-one
SMILES: CCOC1=CC=C(C=C1)NC2=C(SC(=O)N2)C=C3C=CC(=O)C=C3
Compound: 2-thiophenecarboxylic acid [1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino] ester
SMILES: CC(=NOC(=O)C1=CC=CS1)C2CC2C3=CC=C(C=C3)OC
Compound: N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide
SMILES: CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)S(=O)(=O)N(C)C
Compound: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester
SMILES: CC1=CC(=O)OC(=C1C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C
Compound: 4-(3,4-dimethoxyphenyl)-2-(1-piperidinyl)-6-(trifluoromethyl)pyrimidine
SMILES: COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCCCC3)C(F)(F)F)OC
Compound: 5-(1-phenyl-5-tetrazolyl)-2-pyridin-4-yl-4-thiophen-2-ylpyrimidine
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C4=CC=CS4)C5=CC=NC=C5
Compound: 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone
SMILES: COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCOCC3)OC
Compound: N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-tert-butylphenyl) ester
SMILES: CCN(CC)C(=S)SCCC(=O)NC(=O)OC1=CC=C(C=C1)C(C)(C)C
Compound: 4-propan-2-ylbenzenecarbothioamide
SMILES: CC(C)C1=CC=C(C=C1)C(=S)N
Compound: 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-fluorophenyl)thiourea
SMILES: C1=CC(=CC=C1NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)F
Compound: 6-chloro-7-hydroxy-4-(4-morpholinylmethyl)-1-benzopyran-2-one
SMILES: C1COCCN1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O
Compound: LSM-17203
SMILES: C1CC(OC1)CN=CC2C(=O)C3=CC=CC=C3C2=O
Compound: N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide
SMILES: CS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NC3=CC=CC=C3N2
Compound: LSM-17205
SMILES: CC1=NC2=C(C(=O)N1[NH+]=CC3=CC(=C(C=C3)OC)CN4CCCC4)NC5=C2C=C(C=C5)OC
Compound: 2-[2-[(4-acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
Compound: 2-[[(5-chloro-2-pyridinyl)amino]methylidene]-1-cyclohexanone
SMILES: C1CCC(=O)C(=CNC2=NC=C(C=C2)Cl)C1
Compound: N-(3-phenylpropyl)methanesulfonamide
SMILES: CS(=O)(=O)NCCCC1=CC=CC=C1
Compound: 9-ethyl-1,2,4,5-tetrazaspiro[5.5]undecane-3-thione
SMILES: CCC1CCC2(CC1)NNC(=S)NN2
Compound: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILES: COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3CC3
Compound: 2-chloro-N-[2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethyl]acetamide
SMILES: CC1(CC(CCO1)(CCNC(=O)CCl)C2=CC=CC=C2)C
Compound: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2,4-dimethylphenyl)thiourea
SMILES: CC1=CC(=C(C=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C
Compound: 2-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
SMILES: COC1=C(C=C(C=C1)COC2=CC=CC=C2C(=O)N)F
Compound: 2-(2,5-difluorophenyl)-5-methyl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]oxazole
SMILES: CC1=C(N=C(O1)C2=C(C=CC(=C2)F)F)CN3CCN(CC3)C4=NC=CN=C4
Compound: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]acetamide
SMILES: COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4
Compound: N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
SMILES: CC(CC1=CSC=C1)NCC2=C(NN=C2)C3=C(C=C(C=C3)F)F
Compound: 2-amino-3-cyano-5-oxo-1'-spiro[7,8-dihydro-6H-1-benzopyran-4,4'-piperidine]carboxylic acid (phenylmethyl) ester
SMILES: C1CC2=C(C(=O)C1)C3(CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=C(O2)N)C#N
Compound: 3-[3-oxo-4-(2-phenylethyl)-2-quinoxalinyl]propanoic acid
SMILES: C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)O
Compound: N-(2-oxo-1-benzopyran-3-yl)cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=CC3=CC=CC=C3OC2=O
Compound: N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)carbamic acid methyl ester
SMILES: COC(=O)NC1=C(N=C2N1C=CC=C2)C3=CC=CC=C3
Compound: 3-carboxyphenyl phenylacetamidomethylphosphonate
SMILES: OC(=O)c1cccc(OP(O)(=O)CNC(=O)Cc2ccccc2)c1
Compound: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzenesulfonamide
SMILES: C1C2=CC=CC=C2C(=NS(=O)(=O)C3=CC=CC=C3)N=C4N1C=C(C=C4)Br
Compound: 3-[2-(4-fluorophenyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
SMILES: C1CCC2=NN=C(N2CC1)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)F
Compound: 2-(1H-benzimidazol-2-yl)-1-(3-nitrophenyl)ethanone
SMILES: C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: N-(2-oxolanylmethyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]acetamide
SMILES: C1CC(OC1)CNC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2
Compound: N'-[(3-phenyl-4-pyrazolylidene)methyl]-2-thiophenecarbohydrazide
SMILES: C1=CC=C(C=C1)C2=NN=CC2=CNNC(=O)C3=CC=CS3
Compound: 2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide
SMILES: CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl
Compound: N-(cinnamylideneamino)-2-(4-methoxyanilino)acetamide
SMILES: COC1=CC=C(C=C1)NCC(=O)NN=CC=CC2=CC=CC=C2
Compound: 2-[3-(2-furanylmethyl)-2,4-dioxo-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-1-yl]acetamide
SMILES: C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC(=O)N)CC4=CC=CO4
Compound: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-(4-methyl-2-pyridinyl)urea
SMILES: CC1=CC(=NC=C1)NC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C
Compound: 4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@@H]3C=CC4)C5=CC=C(C=C5)C(=O)O
Compound: m-Chlorobenzamide
SMILES: NC(=O)c1cccc(Cl)c1
Compound: 4-(4-chlorophenyl)-3-(phenylmethyl)-1H-imidazole-2-thione
SMILES: C1=CC=C(C=C1)CN2C(=CNC2=S)C3=CC=C(C=C3)Cl
Compound: 2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=NC3=CC=CC=C3N4C2=NN=N4)C(=O)C5=CC=CO5
Compound: 1-[[4-[[[(4-chloro-3-fluoroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]-3-(4-chloro-3-fluorophenyl)thiourea
SMILES: C1=CC(=CC=C1CNC(=S)NC2=CC(=C(C=C2)Cl)F)CNC(=S)NC3=CC(=C(C=C3)Cl)F
Compound: 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(C2=C(C3=C(CCCC3)N=C2S1)C4=CC=CS4)N
Compound: N-(4,5-dihydrothiazol-2-yl)-1-ethyl-3-pyrazolecarboxamide
SMILES: CCN1C=CC(=N1)C(=O)NC2=NCCS2
Compound: 4-[4-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
SMILES: COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)C3=CC=C(C=C3)N4CCOCC4
Compound: 4-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C(=S)S1)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C
Compound: N'-[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinyl]-N,N-dimethylmethanimidamide
SMILES: CN(C)C=NC1=NC=C(C=N1)C2=C(C=C(C=N2)C(F)(F)F)Cl
Compound: 1-[[(2-methyl-3-furanyl)-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
SMILES: CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC=CC=C2C(F)(F)F
Compound: 1-[(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)thiourea
SMILES: CC1=CC=C(C=C1)NC(=S)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]
Compound: 1-(3-chlorophenyl)piperazine
SMILES: Clc1cccc(c1)N1CCNCC1
Compound: 4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
SMILES: COC1=CC=CC(=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=S)N2
Compound: N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
SMILES: CC(C)(CNC(=O)C1=CC=CS1)CNC(=O)C2=CC=CS2
Compound: 1-(4-ethylphenyl)-3-(phenylmethyl)thiourea
SMILES: CCC1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2
Compound: 2-phenylbutanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester
SMILES: CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-ethoxyphenyl)-2,4-dioxobutanamide
SMILES: CCOC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NCCC2=CC(=C(C=C2)OC)OC
Compound: N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
SMILES: CC1=C(C=C(C(=C1)O)C(C)C)NS(=O)(=O)C2=CC=CC=C2
Compound: 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(4-chlorophenyl)acetamide
SMILES: CC1=CC2=NN=C(N2C(=N1)N)SCC(=O)NC3=CC=C(C=C3)Cl
Compound: 2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione
SMILES: O=C1CCCC2=CC3=C(CC4(C3)CC3=C(C4)C=C4C(=O)CCCC4=C3)C=C12
Compound: N'-(5,7-dibromo-2-oxo-3-indolyl)-2-ethyl-4-quinolinecarbohydrazide
SMILES: CCC1=NC2=CC=CC=C2C(=C1)C(=O)NNC3=C4C=C(C=C(C4=NC3=O)Br)Br
Compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-methylpropyl)-3-isoxazolecarboxamide
SMILES: CC(C)CC1=CC(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N
Compound: m-toluic acid
SMILES: Cc1cccc(c1)C(O)=O
Compound: 3-[[2-furanyl(oxo)methyl]amino]-N-(4-methoxyphenyl)-2-benzofurancarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=CO4
Compound: 2-[[butoxy(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
SMILES: CCCCOC(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC
Compound: 1-[(2,6-dichlorophenyl)methyl]-5-(4-methylphenyl)-2-oxo-3-pyridinecarbonitrile
SMILES: CC1=CC=C(C=C1)C2=CN(C(=O)C(=C2)C#N)CC3=C(C=CC=C3Cl)Cl
Compound: N-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-N-(4-methylphenyl)-2-naphthalenesulfonamide
SMILES: CC1=CC=C(C=C1)N(CC(CN2C(=CC(=N2)C)C)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
Compound: N-(2,1,3-benzothiadiazol-5-yl)-2,4-dimethyl-6-oxo-3-pyrancarboxamide
SMILES: CC1=CC(=O)OC(=C1C(=O)NC2=CC3=NSN=C3C=C2)C
Compound: N-(5-chloro-2-hydroxyphenyl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide
SMILES: CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)O)N(C1=O)C
Compound: LSM-17257
SMILES: COC1=CC2=C(C=C1)C3=C(N2)C(=O)[N+](=CN3)N
Compound: N-(2,6-dimethoxy-4-pyrimidinyl)-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]benzenesulfonamide
SMILES: CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)NC3=CC(=NC(=N3)OC)OC)C4=CC=CC=C4
Compound: N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
SMILES: CCOC1=CC=CC(=C1OCC=C)CNC2=NC=CS2
Compound: 3-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]benzonitrile
SMILES: CN1C(=NN=C1SCCOC)C2=CC=CC(=C2)C#N
Compound: N-(3-chlorophenyl)-1H-imidazole-5-carboxamide
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C2=CN=CN2
Compound: 5-chloro-3-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
SMILES: CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC
Compound: 4-[5-(3-chloro-2-methylphenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(O2)C3=C(C(=CC=C3)Cl)C)C
Compound: 2-(3-methyl-2-oxo-1-benzimidazolyl)acetonitrile
SMILES: CN1C2=CC=CC=C2N(C1=O)CC#N
Compound: 4,6-dimethyl-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-pyridinecarbonitrile
SMILES: CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCCC2)C
Compound: N-(3-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
SMILES: C1=CC(=CC(=C1)O)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl
Compound: 5-[4-(1-imidazolyl)phenoxy]-1-phenyltetrazole
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=C(C=C3)N4C=CN=C4
Compound: N-(3-fluorophenyl)-2-oxo-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILES: C1C(N2C3=CC=CC=C3NC2=NC1=O)C(=O)NC4=CC(=CC=C4)F
Compound: N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
SMILES: CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NN=N4
Compound: 2-[[2-[(2,5-dimethylphenyl)sulfonylamino]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CNS(=O)(=O)C3=C(C=CC(=C3)C)C
Compound: N-[3-(3-chlorophenyl)-5-isoxazolyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILES: C1CCC2=NN(C=C2C1)CC(=O)NC3=CC(=NO3)C4=CC(=CC=C4)Cl
Compound: 4-chloro-N-(3,4-dimethoxyphenyl)-2-thieno[3,2-c]quinolinecarboxamide
SMILES: COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N=C3Cl)OC
Compound: phosphoric acid (3-methylphenyl) phenyl (2,2,2-trifluoro-1-phenylethyl) ester
SMILES: CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC(C3=CC=CC=C3)C(F)(F)F
Compound: 1-(3,5-dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)NC2=CC(=CC(=C2)C)C
Compound: 5-bromo-N-(2,4-dichlorophenyl)-2-furancarboxamide
SMILES: C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=CC=C(O2)Br
Compound: N-(4-bromophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrrolecarboxamide
SMILES: C1=CN(C(=C1)C(=O)NC2=CC=C(C=C2)Br)C3=C(C=C(C=N3)C(F)(F)F)Cl
Compound: (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)N4CCOCC4
Compound: 2,5-diethoxy-N-[2-(2-methylphenyl)ethyl]-4-(1-tetrazolyl)benzenesulfonamide
SMILES: CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)S(=O)(=O)NCCC3=CC=CC=C3C
Compound: N-(2,4-dimethoxyphenyl)-3-[[2-furanyl(oxo)methyl]amino]-2-benzofurancarboxamide
SMILES: COC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=CC=CO4)OC
Compound: 2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide
SMILES: COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
Compound: 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione
SMILES: CC(C)N1C2=CC=CC=C2C3=C(C1=O)C(=CC(=O)O3)O
Compound: 5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide
SMILES: COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br
Compound: 4-(1-imidazolyl)-3,5-dinitrobenzoic acid methyl ester
SMILES: COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2C=CN=C2)[N+](=O)[O-]
Compound: 3-(benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d:3',4'-f]pyrimidinone
SMILES: CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2
Compound: N-(4,5-dihydrothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide
SMILES: C1CSC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
Compound: LSM-17286
SMILES: C1CCC2=C(N=C3C(=C2C1)C4=C(S3)C(=S)N=CN4)N5CCOCC5
Compound: 5-(1H-benzimidazol-2-ylmethylidene)-3-(2-naphthalenyl)-2-sulfanylidene-4-thiazolidinone
SMILES: C1=CC=C2C=C(C=CC2=C1)N3C(=O)C(=CC4=NC5=CC=CC=C5N4)SC3=S
Compound: 3-[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-phenyl-3-pyrazolyl]-N,N-dimethylbenzenesulfonamide
SMILES: CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5
Compound: N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide
SMILES: C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 3-chloro-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: C1=CC=C(C=C1)C2=NN3C(=NN=C3Cl)C=C2
Compound: 2-quinolinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3
Compound: 7,7-dimethyl-2-(1-pyrrolidinyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILES: CC1(CC2=C(CO1)C=C(C(=N2)N3CCCC3)C#N)C
Compound: 2-[[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester
SMILES: CN(CC(=O)OC)C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl
Compound: 4-(3-chlorophenyl)-3-methyl-1H-1,2,4-triazole-5-thione
SMILES: CC1=NNC(=S)N1C2=CC(=CC=C2)Cl
Compound: N-[4-bromo-2-[[(2-hydrazinyl-2-oxoethyl)amino]-phenylmethyl]phenyl]-3-(4-morpholinyl)propanamide
SMILES: C1COCCN1CCC(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)NN
Compound: 3-(2-benzofuranyl)-N-(4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]
Compound: 4-[3-(4-fluorophenyl)-2,5,6-trimethyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
SMILES: CC1=C(N2C(=C(C(=N2)C)C3=CC=C(C=C3)F)N=C1C)N4CCOCC4
Compound: 3-(methylsulfamoyl)benzoic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=CC=C3)S(=O)(=O)NC)C4=CC=CC=C41
Compound: 5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamine
SMILES: CN1C(=CN=C1NCC2=CN=CC=C2)C3=CC=C(C=C3)Br
Compound: 2-(2-oxolanylmethyl)benzo[de]isoquinoline-1,3-dione
SMILES: C1CC(OC1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Compound: 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILES: CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)Cl
Compound: 1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone
SMILES: CC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C[C@@H](OC(=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC6=CC=C(C=C6)CO
Compound: 2-(4-methoxyphenyl)-1H-quinazolin-4-one
SMILES: COC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2
Compound: 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydroisoxazole-5-carboxamide
SMILES: COC1=CC=C(C=C1)CNC(=O)C2CC(=NO2)C3=CC=C(C=C3)OC
Compound: 2-(3-benzamidophenoxy)acetic acid
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)O
Compound: 1-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(2,4,6-trimethylphenyl)thiourea
SMILES: CC1=CC(=C(C(=C1)C)NC(=S)NCC2CCN(C2)C3=CC=C(C=C3)OC)C
Compound: 5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
SMILES: C12=C(N=C(C(=N1)Cl)Cl)N=C(N2)C(=O)O
Compound: 2-[(4-methylphenyl)sulfonylamino]acetic acid (2-oxo-3-oxolanyl) ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OC2CCOC2=O
Compound: N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
SMILES: C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)NC(=O)C4=CC=CC=C4
Compound: 1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]pyrrolidine-2,5-dione
SMILES: C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F
Compound: 3-bromo-N-(2-furanylmethyl)benzamide
SMILES: C1=CC(=CC(=C1)Br)C(=O)NCC2=CC=CO2
Compound: N'-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-pyridinecarbohydrazide
SMILES: C1=CC(=O)C(=CC1=CNNC(=O)C2=CC=NC=C2)[N+](=O)[O-]
Compound: N'-[2-[(2-cyclohexyl-4-quinazolinyl)thio]-1-oxoethyl]-2-methylpropanehydrazide
SMILES: CC(C)C(=O)NNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3CCCCC3
Compound: 1-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone
SMILES: COC1=C(C=C(C=C1)Cl)C(=O)CSC2=NC(=CC(=N2)N)N
Compound: N-(1,3-benzodioxol-5-ylmethylideneamino)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILES: C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4
Compound: 2-(2,4-dichlorophenoxy)-N-[2-(methylthio)phenyl]acetamide
SMILES: CSC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)Cl
Compound: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile
SMILES: CCC1=CC2=C(S1)N=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N
Compound: 5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
SMILES: C1COCCN1CCNC(=O)C2=NOC(=C2)C3=CC(=CC=C3)O
Compound: N'-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-methoxybenzohydrazide
SMILES: CC1=NN=C(N1C)SCC(=O)NNC(=O)C2=CC=C(C=C2)OC
Compound: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-6-nitro-1H-benzimidazole
SMILES: CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Compound: N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide
SMILES: N(C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3F)C=4C=CC=C(NC(C)=O)C4
Compound: N-(3,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-2-benzofuro[3,2-d]pyrimidinyl)thio]acetamide
SMILES: CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)OC5=CC=CC=C53)C
Compound: 4-[(4-ethoxyphenyl)sulfonylamino]-N-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]benzamide
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=C(N(N=C3C)C4=CC=CC=C4)N5CCCC5
Compound: LSM-17324
SMILES: CC1=NN=C(S1)NC(=O)NC(C)N2C(=O)C3C4CC(C3C2=O)C=C4
Compound: 4-[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)O
Compound: 4-(2,5-dimethylphenyl)-6-[[(4-methylphenyl)methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CNCC3=CC=C(C=C3)C
Compound: 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidinylidene)amino]acetamide
SMILES: CC1=CC=C(C=C1)N(CC(=O)NN=C2CCN(CC2)C)S(=O)(=O)C3=CC=C(C=C3)C
Compound: 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-pyridinylmethyl)acetamide
SMILES: C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NCC3=CN=CC=C3
Compound: (4-chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone
SMILES: CCN1C=C(C(=N1)C(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5O)Cl
Compound: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: CCC1=C(SC(=C1C#N)NC(=O)C2=C3N=CC=CN3N=C2)C
Compound: 1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide
SMILES: CC1=CC(=NC=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC
Compound: 4-[2-[1-(4-methoxyphenyl)sulfonyl-2-benzimidazolyl]ethyl]morpholine
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2CCN4CCOCC4
Compound: 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4
Compound: N-[4-[2-(2-methoxyethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)C2=NN=C(SC2)NCCOC
Compound: 3-(2-chlorophenyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-methyl-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C(C4=C(S3)CCC4)C#N
Compound: 4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=C(C=C1)C2CC2C3=NNC(=S)N3C4=CC=C(C=C4)Cl
Compound: N-(5-methyl-3-isoxazolyl)-2-[[6-(4-methylphenyl)-3-pyridazinyl]thio]acetamide
SMILES: CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=NOC(=C3)C
Compound: 2-[4-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]propanedioic acid dimethyl ester
SMILES: COC(=O)C(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OC
Compound: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-one
SMILES: C1CN(CC2=CC=CC=C21)CC3=NC(=O)C4=CC=CC=C4N3
Compound: 2-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidine
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=CC=N3
Compound: LSM-17341
SMILES: CCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CN=CC=C3
Compound: 6-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-pyridinecarboxamide
SMILES: CC1=NC=C(C=C1)C(=O)NN=CC(=CC2=CC=CC=C2)C
Compound: LSM-17343
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)CC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 2-chloro-5-[2-[[4-(4-morpholinyl)phenyl]methylidene]hydrazinyl]benzoic acid
SMILES: C1COCCN1C2=CC=C(C=C2)C=NNC3=CC(=C(C=C3)Cl)C(=O)O
Compound: N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]acetamide
SMILES: CC(=O)NC(=C(Cl)Cl)S(=O)(=O)C1=CC=CC=C1
Compound: 1-[3-[4-(2-chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea
SMILES: CC1=CC=C(C=C1)NC(=O)NCCCN2CCN(CC2)C3=C(C=CC(=C3)OC)Cl
Compound: 3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CN=CC=C4)N)F
Compound: N-(2-cyanophenyl)-2-[(5,7-dibromo-8-quinolinyl)oxy]acetamide
SMILES: C1=CC=C(C(=C1)C#N)NC(=O)COC2=C(C=C(C3=C2N=CC=C3)Br)Br
Compound: 2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
SMILES: CC(C(=O)NN=C(C1=CC=CC=C1)C2=CC=CC=C2)NC3CCCCC3
Compound: 8-methyl-2-(3-methylbutyl)-1,2,4-triazaspiro[4.5]decane-3-thione
SMILES: CC1CCC2(CC1)NC(=S)N(N2)CCC(C)C
Compound: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NC3CCCC4=CC=CC=C34
Compound: (4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione
SMILES: CN1CCN(CC1)C(=S)C2=CC=C(C=C2)OC
Compound: 10H-[1]benzothiolo[3,2-b]indole
SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4S3
Compound: 5-(4-bromophenyl)-N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)NC(=O)C4=CC=CO4
Compound: N-(1,3-benzodioxol-5-ylmethyl)-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide
SMILES: C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5
Compound: 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-4-thiazolidinone
SMILES: CC(C)N1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S
Compound: 7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2O
Compound: 1-(4-bromo-2-chlorophenyl)-3-(3-methyl-2-pyridinyl)thiourea
SMILES: CC1=C(N=CC=C1)NC(=S)NC2=C(C=C(C=C2)Br)Cl
Compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[3,2-d]pyrimidinyl]acetamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)F)SC=C3)OC
Compound: N-(4-methoxyphenyl)-2-(3-nitrophenyl)-4-quinazolinamine
SMILES: COC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]
Compound: (-)-Ormosanine
SMILES: C1CCC(NC1)[C@]12C[C@@H](C[C@@H]3CCCN[C@@H]13)[C@H]1CCCCN1C2
Compound: 2-dehydro-3-deoxy-D-arabinonic acid
SMILES: OC[C@@H](O)CC(=O)C(O)=O
Compound: 1-[4-(2-fluorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3F)C(F)(F)F
Compound: 3-acetamido-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(4-methylphenyl)thio]benzamide
SMILES: CCOC1=C(C=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C)OC
Compound: N-[(2-chloroanilino)-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=CO2)Cl
Compound: 2-(3-methylphenoxy)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide
SMILES: CC1=CC(=CC=C1)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C
Compound: 3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline
SMILES: CC1=CC2=NC(=C(C=C2C=C1)C)N3CCN(CC3)C4=CC=CC=N4
Compound: N-(4-fluoro-3-nitrophenyl)-3-methyl-2-thiophenecarboxamide
SMILES: CC1=C(SC=C1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]
Compound: 4-amino-N-(2-methoxyphenyl)benzamide
SMILES: COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N
Compound: N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
SMILES: COC1=CC=CC=C1NC(=O)CCSC2=NN=C(O2)C3=CC=NC=C3
Compound: [2-(methylthio)phenyl]-[1-[oxo(4-thiadiazolyl)methyl]-3-piperidinyl]methanone
SMILES: CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=CSN=N3
Compound: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=NC2=C1C(=NO2)C)C3=CC=CS3
Compound: N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
SMILES: CC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4
Compound: N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
SMILES: CCCC(=O)NC1=NN(C2=NC3=CC=CC=C3C=C12)CCC
Compound: 2-[3-(2-oxo-1-pyrrolidinyl)propyliminomethyl]indene-1,3-dione
SMILES: C1CC(=O)N(C1)CCCN=CC2C(=O)C3=CC=CC=C3C2=O
Compound: 4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
SMILES: C1CCN(C1)C(=O)C2=CC(=C3C=CC(=O)C=C3)ON2
Compound: 2-hydroxy-N'-[[2,4,6-trioxo-1-(2-phenylethyl)-1,3-diazinan-5-ylidene]methyl]benzohydrazide
SMILES: C1=CC=C(C=C1)CCN2C(=O)C(=CNNC(=O)C3=CC=CC=C3O)C(=O)NC2=O
Compound: 2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)NCC4=CC=CO4)C5CC5
Compound: 2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
SMILES: CCN1C=C(C=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC
Compound: 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamine
SMILES: CS(=O)(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NCC4CCCO4
Compound: N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]
Compound: 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
SMILES: CC1=CC=C(C=C1)N2CN=C(NC2=S)C3=CC=CC=C3
Compound: 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-4-quinazolinone
SMILES: CCN1C(=NC2=CC=CC=C2C1=O)C=CC3=C(NC4=CC=CC=C43)C
Compound: 3-[[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]methyl]-N-methyl-N-(phenylmethyl)-2-imidazo[1,2-a]pyridinecarboxamide
SMILES: CC1=NN(C=C1CN(C)CC2=C(N=C3N2C=CC=C3)C(=O)N(C)CC4=CC=CC=C4)C
Compound: 1-ethyl-3-(2-furanylmethylideneamino)thiourea
SMILES: CCNC(=S)NN=CC1=CC=CO1
Compound: N-phenyl-2-benzo[g][1]benzothiolecarboxamide
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4C=C3
Compound: 6-methyl-2-(trifluoromethyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILES: CC1=NC2=CC3=C(C=C2N1)NC(=N3)C(F)(F)F
Compound: 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamide
SMILES: COC1=C(C=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4
Compound: 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
SMILES: CC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC(C)C
Compound: 2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester
SMILES: CCC1=CC(=CC=C1)OCCC(C(=O)OCC)C(=O)OCC
Compound: N-[[2-[cyclohexyl(methyl)amino]-5-nitrophenyl]methylideneamino]-2-phenoxyacetamide
SMILES: CN(C1CCCCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)COC3=CC=CC=C3
Compound: 2-(4-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILES: CC1=CC(=NC2=CC(=NN12)C3=CC=C(C=C3)Br)C
Compound: 2-(4-methyl-1-oxo-2-phthalazinyl)-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C
Compound: 4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile
SMILES: COC1=C2C(=C(C(=NC2=C(C=C1)OC)C(C(F)(F)F)(F)F)C#N)N
Compound: 2-[5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid
SMILES: COC1=CC=CC(=C1OC)C=C2C(=O)N(C(=S)S2)C(C3=CC=CC=C3)C(=O)O
Compound: (5-hydroxy-2-phenyl-3-benzofuranyl)-(4-morpholinyl)methanone
SMILES: C1COCCN1C(=O)C2=C(OC3=C2C=C(C=C3)O)C4=CC=CC=C4
Compound: 3-phenyl-1H-cinnolin-4-one
SMILES: C1=CC=C(C=C1)C2=NNC3=CC=CC=C3C2=O
Compound: (6R)-6-(4-bromophenyl)-3-(2-furanylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
SMILES: CC1=C([C@H](NC(=O)N1CC2=CC=CO2)C3=CC=C(C=C3)Br)C(=O)OC
Compound: 2-(2,3-dichlorophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)COC3=C(C(=CC=C3)Cl)Cl
Compound: N-[1-(5,6-dicyano-3-methyl-2-pyrazinyl)ethyl]-N-phenylacetamide
SMILES: CC1=NC(=C(N=C1C(C)N(C2=CC=CC=C2)C(=O)C)C#N)C#N
Compound: 3-(difluoromethoxy)-N-(4,5-dihydrothiazol-2-yl)benzamide
SMILES: C1CSC(=N1)NC(=O)C2=CC(=CC=C2)OC(F)F
Compound: 7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
SMILES: C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3CN4CCOCC4)O
Compound: 5-[[2-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxymethyl]-2-furancarboxylic acid methyl ester
SMILES: CC1=CC(=CC=C1)CN2CCC3=C(C2=O)C=CC=C3OCC4=CC=C(O4)C(=O)OC
Compound: 3-(2-furanylmethyl)-5-(2-methoxyethyl)-1,3,5-thiadiazinane-2-thione
SMILES: COCCN1CN(C(=S)SC1)CC2=CC=CO2
Compound: 3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SMILES: CCC1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile
SMILES: CC1=C(C=CC(=C1)OCCCCOC2=CC=C(C=C2)C#N)[N+](=O)[O-]
Compound: 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline
SMILES: CC1=CC(=CC(=C1Cl)C)OCCOC2=CC=CC3=C2N=CC=C3
Compound: 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CC(COC)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl
Compound: 3-(3-methoxyphenyl)-2-propenoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester
SMILES: COC1=CC=CC(=C1)C=CC(=O)OCC(=O)NCCC2=CCCCC2
Compound: 2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid methyl ester
SMILES: CC1=CC(=CC(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C(C#N)C(=O)OC)C
Compound: 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone
SMILES: C1COCCN1C(=O)CCCOC2=CC=C(C=C2)Cl
Compound: N,N-diethyl-3-[(4-fluorophenyl)sulfonylamino]-4-(1-pyrrolidinyl)benzenesulfonamide
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)F
Compound: N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide
SMILES: CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C(C)C)C(=O)C3=CC=NC=C3
Compound: 1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione
SMILES: CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)SC3=NC=CC=N3)C
Compound: 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SMILES: C=CCN1C(=O)C2=C(NC1=S)SC3=C2CCCC3
Compound: N'-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-6-oxo-1H-pyridazine-3-carbohydrazide
SMILES: COC1=CC=CC(=CNNC(=O)C2=NNC(=O)C=C2)C1=O
Compound: 5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium-3,8-diamine
SMILES: C1C2=C(C=C(C=C2)N)N=[N+](C3=C1C=CC(=C3)N)[O-]
Compound: 4-amino-3-(2-furanyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=COC(=C1)C2=NNC(=S)N2N
Compound: 2-anilino-5-[(1-methyl-2-pyrrolyl)methylidene]-4-thiazolone
SMILES: CN1C=CC=C1C=C2C(=O)N=C(S2)NC3=CC=CC=C3
Compound: 5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine
SMILES: CC1=CC(=NC2=CC(=NN12)NC3=CC=CC=C3)C
Compound: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide
SMILES: CC1=CC=CC=C1OCC(=O)N(CC(C)C)C2=C(N(C(=O)NC2=O)CC(C)C)N
Compound: 5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamine
SMILES: CC1=C(SC2=NC=NC(=C12)NCC3=CC=CS3)C
Compound: N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide
SMILES: CN1C=C(C2=CC=CC=C21)CC(=O)NC3=CC(=CC=C3)OC
Compound: 3-(5-chloro-1,3-benzoxazol-2-yl)-N-(phenylmethyl)-2-pyridinamine
SMILES: C1=CC=C(C=C1)CNC2=C(C=CC=N2)C3=NC4=C(O3)C=CC(=C4)Cl
Compound: [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILES: C1C(N(N=C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4O
Compound: LSM-17424
SMILES: COC1=CC(=CC=C1)OCC2=NN3C=NC4=C(C3=N2)C=NN4C5=CC=CC=C5
Compound: 3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid
SMILES: CCOC1=C(C=C(C=C1Cl)C(=O)NC2=CC=CC(=C2)C(=O)O)Cl
Compound: N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NN4C=NN=C4C=C3
Compound: N-[2-[(4-methylanilino)-oxomethyl]phenyl]-3-pyridinecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CN=CC=C3
Compound: 6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=C(NC1=O)C)C(=O)NC(C)C2=CC=CC=C2
Compound: N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide
SMILES: CCCS(=O)(=O)NCCC1=CC2=CC(=C(C=C2NC1=O)C)C
Compound: LSM-17430
SMILES: C1CCC2=C(C1)C3=C4N2C(=O)C(=C(C4=CC=C3)O)CC5=CC=CC=C5
Compound: n-propyl gallate
SMILES: CCCOC(=O)c1cc(O)c(O)c(O)c1
Compound: [(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CSC5=CC=CC=C54)CCCO
Compound: 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILES: COC1=CC=CC=C1C(=O)NC2=NSC(=N2)C3=CC=CC=C3
Compound: N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O
Compound: 5-(2-furanyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
SMILES: C1=CC(=CN=C1)C2=NOC(=N2)C3=CC=CO3
Compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamine
SMILES: CCOC1=C(C=C(C=C1)CN(C)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)OC
Compound: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-2-propenamide
SMILES: COC1=CC=C(C=C1)C=CC(=O)NCCOC2=CC=CC=C2OC
Compound: 5-tert-butyl-3-(4-chlorophenyl)-7-(2-ethyl-1-imidazolyl)pyrazolo[1,5-a]pyrimidine
SMILES: CCC1=NC=CN1C2=CC(=NC3=C(C=NN23)C4=CC=C(C=C4)Cl)C(C)(C)C
Compound: 1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
SMILES: CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl
Compound: acetic acid [[1-methyl-2-(4-morpholinyl)-3-indolyl]methylideneamino] ester
SMILES: CC(=O)ON=CC1=C(N(C2=CC=CC=C21)C)N3CCOCC3
Compound: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CO4)OC
Compound: N,N-dimethyl-N'-(2-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methanimidamide
SMILES: CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1N=CN(C)C
Compound: LSM-17442
SMILES: CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)C(=O)C3=NC=CN=C3)C)[C@@H](C)CO
Compound: 1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC(C)C)O[C@H]1CN(C)C(=O)NC3=CC=CC=C3)[C@H](C)CO
Compound: N-[[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILES: C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CN(C)C(=O)C4=CC5=C(C=C4)OCO5)[C@@H](C)CO
Compound: N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)C(=O)C3CCCCC3)Br)[C@H](C)CO
Compound: N-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
SMILES: C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)C(=O)COC)Br)[C@H](C)CO
Compound: (2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CNC)Br)[C@H](C)CO
Compound: (2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILES: C[C@@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CNC)Br)[C@H](C)CO
Compound: N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CCN(C)C)O[C@@H]1CN(C)C(=O)CC3=CC=CC=C3)[C@H](C)CO
Compound: N-[[(2R,3R)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3F)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@@H](C)CO
Compound: N-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide
SMILES: C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)C(=O)C3=CC=C(C=C3)F)Br)[C@H](C)CO
Compound: (2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
SMILES: C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CNC)[C@H](C)CO
Compound: N-[[(2S,3S)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridinecarboxamide
SMILES: C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)C4=CC=CC=N4)[C@@H](C)CO
Compound: 1-[[(2R,3R)-8-(2-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
SMILES: CCCNC(=O)N(C)C[C@H]1[C@@H](CN(C(=O)C2=C(O1)N=CC(=C2)C3=CC=CC=C3F)[C@H](C)CO)C
Compound: LSM-17455
SMILES: CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)CC3=CC=C(C=C3)C(=O)O)C)[C@@H](C)CO
Compound: N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide
SMILES: C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CN=CN=C3)O[C@H]1CN(C)C(=O)CC4=CC=CC=C4)[C@@H](C)CO