FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK084636
Synonyms: 7-(2-hydroxy-3-phenoxypropyl)-8-{(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C(/c2ccc(cc2)O)\C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK084650
Synonyms: {2-[2-(4-hexylphenoxy)ethoxy]benzylidene}propanedinitrile
Smiles: CCCCCCc1ccc(cc1)OCCOc1ccccc1C=C(C#N)C#N

STK084681
Synonyms: 3-ethyl-1-(phenylsulfonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Smiles: CCC1=NN(C(C1)(O)C(F)(F)F)S(=O)(=O)c1ccccc1

STK084696
Synonyms: 7-phenyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
Smiles: c1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2)cccc1

STK084712
Synonyms: N-(4-ethylbenzyl)-N-(prop-2-en-1-yl)prop-2-en-1-amine
Smiles: CCc1ccc(cc1)CN(CC=C)CC=C

STK084717
Synonyms: 2-{[1-(2,3-dichlorophenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1cccc(c1Cl)Cl)NC(=O)C1CCCCC1C(=O)O

STK084735
Synonyms: (6Z)-6-{3-bromo-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCCOc1ccccc1Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK084736
Synonyms: (2E)-3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)-2-(2-oxopyridin-1(2H)-yl)prop-2-enamide
Smiles: COCCCNC(=O)/C(=C\c1ccc(cc1)N(C)C)/n1ccccc1=O

STK084762
Synonyms: 3-bromo-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
Smiles: COc1ccc(cc1Br)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])F

STK084767
Synonyms: 5-nitro-2-(pyridin-4-yl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2ccncc2)C(=O)c2c1cc(cc2)[N+](=O)[O-]

STK084830
Synonyms: phenyl(naphthalen-2-yloxy)acetate
Smiles: O=C(Oc1ccccc1)COc1ccc2c(c1)cccc2

STK084864
Synonyms: N-(biphenyl-4-yl)-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1ccc(cc1)c1ccccc1

STK084895
Synonyms: methyl2-({[(2-bromophenyl)carbonyl]carbamothioyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)NC(=S)NC(=O)c1ccccc1Br

STK084901
Synonyms: tetramethyl1-methoxyethane-1,1,2,2-tetracarboxylate
Smiles: COC(=O)C(C(C(=O)OC)(C(=O)OC)OC)C(=O)OC

STK084911
Synonyms: methylN-(4-oxo-4-{[4-(2-phenylethoxy)phenyl]amino}butanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)OCCc1ccccc1)CC(C)C

STK084933
Synonyms: 2-[4-(tert-butylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-1-phenylethanone
Smiles: O=C(c1ccccc1)Cc1nc(nc(n1)N1CCCCC1)NC(C)(C)C

STK084937
Synonyms: 2-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
Smiles: CN1CCC2C(C1)c1ccccc1N2

STK084938
Synonyms: 1-cyclohexyl-3,4-dimethyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC1=C(C)C(=O)N(C1Nc1cccc(c1)C(F)(F)F)C1CCCCC1

STK084990
Synonyms: [4-(3-chlorophenyl)piperazin-1-yl](3-methylphenyl)methanone
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(c1)C

STK085010
Synonyms: N,N'-bis[(E)-(5-methylfuran-2-yl)methylidene]pyridine-2,6-diamine
Smiles: Cc1ccc(o1)/C=N/c1cccc(n1)/N=C/c1ccc(o1)C

STK085034
Synonyms: 5-[(4-tert-butylphenyl)sulfanyl]-1-methyl-3-nitro-1H-1,2,4-triazole
Smiles: Cn1nc(nc1Sc1ccc(cc1)C(C)(C)C)[N+](=O)[O-]

STK085041
Synonyms: N-[(1Z)-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1(2H)-ylidene]methanamine
Smiles: C/N=C/1\N(C)CCn2c1cc1c2cccc1

STK085050
Synonyms: (2E)-1-(2-cyanoethyl)-2-(4-methoxybenzylidene)hydrazinecarboximidamide
Smiles: COc1ccc(cc1)/C=N/N(C(=N)N)CCC#N

STK085056
Synonyms: N-[2-chloro-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-methylpropanamide
Smiles: O=C(C(C)C)Nc1ccc(cc1Cl)N1C(=O)c2c(C1=O)cccc2

STK085081
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)pyrrolidine
Smiles: C1CCN(C1)Cc1ccc2c(c1)OCO2

STK085082
Synonyms: (3R,3aS,7aR)-3-hydroxy-2-[1-(1H-indol-3-yl)propan-2-yl]-2,3,3a,4,7,7a-hexahydro-1H-isoindol-1-one
Smiles: CC(N1[C@H](O)[C@@H]2[C@H](C1=O)CC=CC2)Cc1c[nH]c2c1cccc2

STK085094
Synonyms: 6,9,9-trimethyl-5,6,7,8,8a,9,10,10a-octahydroacridine-4-carboxylicacid
Smiles: CC1CCC2C(C1)Nc1c(C2(C)C)cccc1C(=O)O

STK085137
Synonyms: 3-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5-methyl-1H-2,4-benzodiazepin-1-one
Smiles: COc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(c(n1)C)cccc2

STK085183
Synonyms: N-[(E)-(1-benzyl-1H-indol-3-yl)methylidene]-4-chloroaniline
Smiles: Clc1ccc(cc1)/N=C/c1cn(c2c1cccc2)Cc1ccccc1

STK085197
Synonyms: 2-[(3,5-dimethylpiperidin-1-yl)carbonyl]phenylacetate
Smiles: CC1CC(C)CN(C1)C(=O)c1ccccc1OC(=O)C

STK085207
Synonyms: (10Z)-10-[3,5-diiodo-4-(prop-2-en-1-yloxy)benzylidene]-7-(3,4-dimethoxyphenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Smiles: C=CCOc1c(I)cc(cc1I)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccc(c(c1)OC)OC)CCc1c3cccc1

STK085231
Synonyms: 2-(1H-indol-1-yl)-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]acetamide
Smiles: O=C(Cn1ccc2c1cccc2)NC(C12CC3CC(C2)CC(C1)C3)C

STK085264
Synonyms: N-(4-{[(2,4-dichlorophenyl)carbonyl]amino}phenyl)-2-methyl-3-nitrobenzamide
Smiles: Clc1ccc(c(c1)Cl)C(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1C)[N+](=O)[O-]

STK085286
Synonyms: (6Z)-6-({1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2scc(n2C(=N)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)c1ccccc1

STK085287
Synonyms: 5-(4-fluorophenyl)-6-(4-methylphenyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)c1nc2c(c(=O)n1c1ccc(cc1)F)cnn2c1ccccc1

STK085301
Synonyms: (5Z)-5-(3-hydroxybenzylidene)-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1cccc(c1)/C=C/1\SC(=S)N(C1=O)C(C)C

STK085312
Synonyms: 1,3-diethyl-2-methyl-5-nitro-2-phenyl-2,3-dihydro-1H-benzimidazole
Smiles: CCN1c2cc(ccc2N(C1(C)c1ccccc1)CC)[N+](=O)[O-]

STK085325
Synonyms: 2-(2,4-dichlorophenoxy)ethanaminium4-aminobenzenesulfonate
Smiles: Nc1ccc(cc1)S(=O)(=O)[O-].[NH3+]CCOc1ccc(cc1Cl)Cl

STK085337
Synonyms: (2E)-2-{3-[3-(3,4-dimethylphenoxy)propoxy]benzylidene}-N-phenylhydrazinecarboxamide
Smiles: O=C(Nc1ccccc1)N/N=C/c1cccc(c1)OCCCOc1ccc(c(c1)C)C

STK085340
Synonyms: N-(butan-2-yl)-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazin-2-amine
Smiles: C#CCOc1nc(OCC#C)nc(n1)NC(CC)C

STK085391
Synonyms: 1-methyl-4-{[2-(phenylsulfonyl)prop-2-en-1-yl]sulfonyl}benzene
Smiles: Cc1ccc(cc1)S(=O)(=O)CC(=C)S(=O)(=O)c1ccccc1

STK085400
Synonyms: ethyl[1,5-dimethyl-9-oxo-7-(propylcarbamothioyl)-3,7-diazabicyclo[3.3.1]non-3-yl](oxo)acetate
Smiles: CCCNC(=S)N1CC2(C)CN(CC(C1)(C2=O)C)C(=O)C(=O)OCC

STK085403
Synonyms: 5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenyl-1,3-dioxane-4,6-dione
Smiles: O=C1OC(OC(=O)/C/1=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK085404
Synonyms: 2-[(thiophen-2-ylmethyl)carbamoyl]cyclohex-1-ene-1-carboxylicacid
Smiles: O=C(C1=C(CCCC1)C(=O)O)NCc1cccs1

STK085414
Synonyms: (4E)-4-{5-bromo-2-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)Br

STK085458
Synonyms: (azepan-1-ylmethyl)methylphosphinicacid
Smiles: CP(=O)(CN1CCCCCC1)O

STK085496
Synonyms: (2Z)-6-bromo-N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)imino]-2H-chromene-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1cc2cc(Br)ccc2o/c/1=N\c1cccc(c1)OC

STK085499
Synonyms: [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
Smiles: O=C(N1CC2(CC1CC(C2)(C)C)C)C1CCN(CC1)CC1CCC=CC1

STK085502
Synonyms: 1,1'-(benzene-1,4-diyldimethanediyl)bis(1'-propyl-4,4'-bipyridinium)tetrabromide
Smiles: CCC[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)CCC.[Br-].[Br-].[Br-].[Br-]

STK085531
Synonyms: 2-(2,3-dimethylcyclohexyl)-3-[(2-fluoro-4-methylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
Smiles: Cc1ccc(c(c1)F)NC1N(C2CCCC(C2C)C)C(=O)c2c1cccc2

STK085533
Synonyms: 2-[(6-amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
Smiles: O=C(NC1CCCC1)CSc1[nH]c(N)cc(=O)n1

STK085588
Synonyms: 8-ethoxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOc1nc2c(n1C)c(=O)n(c(=O)n2C)C

STK085609
Synonyms: (4E)-4-{5-bromo-2-[2-(2-chlorophenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccccc1Cl

STK085621
Synonyms: methyl2-{[(E)-{[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]amino}methylidene]amino}-4,5-dimethoxybenzoate
Smiles: COC(=O)c1cc(OC)c(cc1N/C=N/c1cc(OC)c(cc1C(=O)OC)OC)OC

STK085630
Synonyms: 5-(acetylamino)benzene-1,3-diylbis(4-nitrobenzoate)
Smiles: CC(=O)Nc1cc(cc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)c1ccc(cc1)[N+](=O)[O-]

STK085635
Synonyms: N-[(5-bromopyridin-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide
Smiles: S=C(NC(=O)c1cccc(c1C)[N+](=O)[O-])Nc1ccc(cn1)Br

STK085642
Synonyms: 1-(5-amino-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
Smiles: O=C(Nc1ccccc1C(F)(F)F)Nc1nnc(s1)N

STK085657
Synonyms: (6Z)-6-{3,5-dichloro-4-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCc1nn2c(=NC(=O)/C(=C\c3cc(Cl)c(c(c3)Cl)OCCOc3ccc(c(c3)C)C)/C2=N)s1

STK085693
Synonyms: N-{3-[(3,4-dimethylphenyl)carbonyl]phenyl}-4-methoxy-3-nitrobenzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1cccc(c1)C(=O)c1ccc(c(c1)C)C

STK085698
Synonyms: (2Z)-2-[(2,3-dimethylphenyl)imino]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-7-hydroxy-2H-chromene-3-carboxamide
Smiles: CCc1ccc(cc1)c1csc(n1)NC(=O)c1cc2ccc(cc2o/c/1=N\c1cccc(c1C)C)O

STK085707
Synonyms: 4-{3-(furan-2-yl)-1-hydroxy-11-[4-(methoxycarbonyl)phenyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoicacid
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CCC(=O)O)cccc2)c1ccco1

STK085711
Synonyms: (2Z)-N-acetyl-7-(diethylamino)-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide
Smiles: CCN(c1ccc2c(c1)o/c(=N\c1ccccc1OC)/c(c2)C(=O)NC(=O)C)CC

STK085728
Synonyms: N-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-4-methoxy-N-methylbenzamide
Smiles: COc1ccc(cc1)C(=O)N(CC(COc1ccc(cc1C)C)O)C

STK085729
Synonyms: 2,4-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylidene]aniline
Smiles: Cc1ccc(c(c1)C)/N=C/c1c(C)[nH]c2c1cccc2

STK085733
Synonyms: 3-[(2-methylphenoxy)carbonyl]-2,4-diphenylcyclobutanecarboxylicacid
Smiles: O=C(C1C(c2ccccc2)C(C1c1ccccc1)C(=O)O)Oc1ccccc1C

STK085741
Synonyms: N-tert-butyl-2-(naphthalen-1-yloxy)acetamide
Smiles: O=C(NC(C)(C)C)COc1cccc2c1cccc2

STK085755
Synonyms: (5E)-5-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCOc2ccc(cc2)OC)/C1=O

STK085789
Synonyms: N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}-2-phenoxyacetamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])NC(=O)COc1ccccc1

STK085801
Synonyms: (5S)-5-methyl-5-{4-[(6-methylheptyl)oxy]phenyl}imidazolidine-2,4-dione
Smiles: CC(CCCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C

STK085804
Synonyms: 3-(propan-2-yl)piperazine-2,5-dione
Smiles: O=C1CNC(=O)C(N1)C(C)C

STK085818
Synonyms: N-(1-methoxypropan-2-yl)-1-(3-phenylpropyl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)CCCc1ccccc1)C

STK085821
Synonyms: 2-methoxy-4-(prop-2-en-1-yl)phenylpropanoate
Smiles: C=CCc1ccc(c(c1)OC)OC(=O)CC

STK085826
Synonyms: N-tert-butyl-3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanamide
Smiles: O=C(C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NC(C)(C)C

STK085844
Synonyms: (2E)-2-cyano-3-{3,5-dichloro-2-[2-(4-methoxyphenoxy)ethoxy]phenyl}-N-(2-methylphenyl)prop-2-enamide
Smiles: COc1ccc(cc1)OCCOc1c(Cl)cc(cc1/C=C(/C(=O)Nc1ccccc1C)\C#N)Cl

STK085847
Synonyms: 3-hydroxy-2,2-dimethyl-3-phenylbutanenitrile
Smiles: N#CC(C(c1ccccc1)(O)C)(C)C

STK085851
Synonyms: 3-bromo-1-benzofuran
Smiles: Brc1coc2c1cccc2

STK085855
Synonyms: N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]pyridine-3-carboxamide
Smiles: COc1cc(/C=N/C(=O)c2cccnc2)cc(c1OC)OC

STK085857
Synonyms: 2-[(4-chlorophenyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Smiles: O=C(Nc1nc2c(s1)cc(cc2)C)CSc1ccc(cc1)Cl

STK085867
Synonyms: (2E)-N-(5-{[(3-methylbenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
Smiles: O=C(Nc1nnc(s1)CSCc1cccc(c1)C)/C=C/c1ccccc1

STK085876
Synonyms: N-[2-(1-methyl-1H-indol-3-yl)ethyl]benzamide
Smiles: O=C(c1ccccc1)NCCc1cn(c2c1cccc2)C

STK085901
Synonyms: 2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2H-chromene-3-carboxamide
Smiles: CCCc1nnc(s1)NC(=O)c1cc2ccccc2oc1=O

STK085923
Synonyms: N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1c(C)cc(n2c1nc1c2cccc1)C)O

STK085939
Synonyms: 2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(s1)c1ccccc1Cl

STK085944
Synonyms: N-[4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)phenyl]propanamide
Smiles: CCC(=O)Nc1ccc(cc1)NC(=S)NC(=O)Cc1ccc(cc1)Cl

STK085977
Synonyms: 4-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-4,6,6-trimethyl-1,3-thiazinane-2-thione
Smiles: COc1ccc(cc1)CCN1C(=S)SC(CC1(C)O)(C)C

STK085996
Synonyms: N'-(dicyclopropylmethylidene)-4-hydroxybenzohydrazide
Smiles: O=C(c1ccc(cc1)O)NN=C(C1CC1)C1CC1

STK086004
Synonyms: (1Z)-N'-{[(3-methylphenoxy)acetyl]oxy}-2-(thiophen-2-yl)ethanimidamide
Smiles: O=C(COc1cccc(c1)C)O/N=C(/Cc1cccs1)\N

STK086011
Synonyms: 3,4-dihydroxy-N'-[(1Z)-1-phenylhexylidene]benzohydrazide
Smiles: CCCCC/C(=N/NC(=O)c1ccc(c(c1)O)O)/c1ccccc1

STK086035
Synonyms: methyl(1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-phenyl-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1)C(=O)N)C(=O)C

STK086041
Synonyms: (4Z)-4-(3,5-dibromo-2-hydroxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
Smiles: Brc1cc(/C=C/2\N=C(OC2=O)c2ccccc2)c(c(c1)Br)O

STK086063
Synonyms: 3-(3-methylbenzyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,5-dione
Smiles: Cc1cccc(c1)CC1CC(=O)N(C1=O)c1nncs1

STK086069
Synonyms: 4,5-dimethyl-2-{[2-(pyridin-4-yl)ethyl]sulfanyl}pyrimidine
Smiles: Cc1cnc(nc1C)SCCc1ccncc1

STK086081
Synonyms: 2-[4-(methoxycarbonyl)benzyl]pyridinium
Smiles: COC(=O)c1ccc(cc1)Cc1cccc[nH+]1

STK086125
Synonyms: 2-amino-5-benzylthiophene-3-carbonitrile
Smiles: N#Cc1cc(sc1N)Cc1ccccc1

STK086156
Synonyms: N'-[(E)-{3-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1cccc(c1)OCCOc1cccc(c1)/C=N/NC(=O)C

STK086178
Synonyms: (5E)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylidene)imidazolidine-2,4-dione
Smiles: O=C1NC(=O)/C(=C\c2cccn2c2ccc(cc2)N(C)C)/N1

STK086180
Synonyms: N-benzyl-N-{[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}butan-1-amine
Smiles: CCCCN(Cc1c(nc2n1ccs2)c1ccc(cc1)C)Cc1ccccc1

STK086188
Synonyms: 3-chloro-N-(2-fluorophenyl)benzamide
Smiles: Clc1cccc(c1)C(=O)Nc1ccccc1F

STK086192
Synonyms: (2Z)-3-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]-N-hydroxy-2H-chromen-2-imine
Smiles: O/N=c/1\oc2ccccc2cc1c1scc(n1)c1ccc(cc1)c1ccccc1

STK086205
Synonyms: 2-(2,4-dibromo-5-methylphenoxy)-N-(prop-2-en-1-yl)acetamide
Smiles: Cc1cc(OCC(=O)NCC=C)c(cc1Br)Br

STK086213
Synonyms: {1-[3-(benzyloxy)benzyl]piperidin-4-yl}(morpholin-4-yl)methanone
Smiles: O=C(N1CCOCC1)C1CCN(CC1)Cc1cccc(c1)OCc1ccccc1

STK086223
Synonyms: 2-{[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]amino}butan-1-ol
Smiles: CCC(NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O)CO

STK086227
Synonyms: 1-[(6-ethoxynaphthalen-2-yl)sulfonyl]-2-methyl-1H-imidazole
Smiles: CCOc1ccc2c(c1)ccc(c2)S(=O)(=O)n1ccnc1C

STK086228
Synonyms: ethyl5-[(1E)-1-(2-carbamothioylhydrazinylidene)ethyl]-3-(3-methoxy-3-oxopropyl)-5-methyl-2-oxotetrahydrofuran-3-carboxylate
Smiles: CCOC(=O)C1(CCC(=O)OC)CC(OC1=O)(C)/C(=N/NC(=S)N)/C

STK086231
Synonyms: (5-hydroxy-6-methyl-4-{(E)-[(2Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)hydrazinylidene]methyl}pyridin-3-yl)methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/N=c/1\sc2c(n1C)cccc2)COP(=O)(O)O

STK086249
Synonyms: (4E)-4-[2-(2,5-dimethylphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(c(c1)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C)C

STK086266
Synonyms: [1-(pyridin-2-ylmethyl)piperidin-4-yl](pyrrolidin-1-yl)methanone
Smiles: O=C(N1CCCC1)C1CCN(CC1)Cc1ccccn1

STK086284
Synonyms: 5-ethyl-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-triazolidine-3-thione
Smiles: CCC1(C)NN(C(=S)N1)c1scc(n1)c1ccccc1

STK086335
Synonyms: 3-[(4,7-dimethylquinazolin-2-yl)amino]-5-methyl-1H-2,4-benzodiazepin-1-one
Smiles: Cc1ccc2c(c1)nc(nc2C)Nc1nc(=O)c2c(c(n1)C)cccc2

STK086342
Synonyms: 3-{(E)-[(3-methoxyphenyl)imino]methyl}benzene-1,2-diol
Smiles: COc1cccc(c1)/N=C/c1cccc(c1O)O

STK086351
Synonyms: [4-(4-hydroxyphenyl)-2,6-dimethyl-3,4-dihydroquinolin-1(2H)-yl](phenyl)methanone
Smiles: Cc1ccc2c(c1)C(CC(N2C(=O)c1ccccc1)C)c1ccc(cc1)O

STK086367
Synonyms: N-(4,6-dimethylpyrimidin-2-yl)-4-{[(E)-(5-methylthiophen-2-yl)methylidene]amino}benzenesulfonamide
Smiles: Cc1ccc(s1)/C=N/c1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

STK086373
Synonyms: N,N'-dibenzyl-N,N'-diethylethanediamide
Smiles: CCN(C(=O)C(=O)N(Cc1ccccc1)CC)Cc1ccccc1

STK086401
Synonyms: (2E)-1-(4-bromophenyl)-2-(1-phenylethylidene)hydrazine
Smiles: Brc1ccc(cc1)N/N=C(/c1ccccc1)\C

STK086408
Synonyms: 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-2-oxoethyl1,2,3,4-tetrahydroacridine-9-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)COC(=O)c1c2CCCCc2nc2c1cccc2

STK086411
Synonyms: 4,4'-bis({[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)biphenyl-3,3'-dicarboxylicacid
Smiles: O=C(Nc1ccc(cc1C(=O)O)c1ccc(c(c1)C(=O)O)NC(=O)CSCc1ccc(cc1Cl)Cl)CSCc1ccc(cc1Cl)Cl

STK086427
Synonyms: N-(2-chlorophenyl)-5-{[(4-methylphenyl)carbonyl]amino}-1-phenyl-1H-pyrazole-4-carboxamide
Smiles: Cc1ccc(cc1)C(=O)Nc1c(cnn1c1ccccc1)C(=O)Nc1ccccc1Cl

STK086430
Synonyms: N-(3-methylbenzyl)cyclohexanamine
Smiles: Cc1cccc(c1)CNC1CCCCC1

STK086442
Synonyms: 4-hydroxy-1-methyl-N'-(2-methylpropanoyl)-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
Smiles: O=C(C(C)C)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK086458
Synonyms: methyl6'-bromo-2,2'-dihydroxy-1,1'-binaphthalene-3-carboxylate
Smiles: COC(=O)c1cc2ccccc2c(c1O)c1c(O)ccc2c1ccc(c2)Br

STK086469
Synonyms: 3-phenyl-5-[4-(trifluoromethyl)phenyl]-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
Smiles: O=C1N(c2ccc(cc2)C(F)(F)F)C(=O)C2C1C(OC12C(=O)c2c(C1=O)cccc2)c1ccccc1

STK086499
Synonyms: 2-(4-tert-butylphenoxy)-N'-[(1E,2E)-3,7-dimethylocta-2,6-dien-1-ylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1)C(C)(C)C)N/N=C/C=C(/CCC=C(C)C)\C

STK086522
Synonyms: 2-(2,4-dichlorophenoxy)-1-[5-hydroxy-5-(pentafluoroethyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Smiles: Clc1ccc(c(c1)Cl)OCC(=O)N1N=C(CC1(O)C(C(F)(F)F)(F)F)c1ccccc1

STK086535
Synonyms: 4-{4-[(5-methylhexyl)oxy]phenyl}pyrrolidin-2-one
Smiles: CC(CCCCOc1ccc(cc1)C1CNC(=O)C1)C

STK086543
Synonyms: 2-(4-cyclohexylphenoxy)-N-(5-ethylthiophen-2-yl)acetamide
Smiles: CCc1ccc(s1)NC(=O)COc1ccc(cc1)C1CCCCC1

STK086561
Synonyms: N-(propan-2-yl)-N-[(2,3,7,8-tetramethyl-1,4,6,9-tetraoxa-5lambda~5~-phosphaspiro[4.4]non-5-yl)methyl]propan-2-amine
Smiles: CC1OP2(OC1C)(CN(C(C)C)C(C)C)OC(C(O2)C)C

STK086565
Synonyms: 2-(4-chlorophenyl)-6,6-dimethyl-5,8-dihydro-4H,6H-pyrano[4',3':4,5]thieno[2,3-d][1,3]oxazin-4-one
Smiles: Clc1ccc(cc1)c1oc(=O)c2c(n1)sc1c2CC(OC1)(C)C

STK086594
Synonyms: N'-[(E)-(3-fluorophenyl)methylidene]-4-hydroxy-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carbohydrazide
Smiles: C=CCn1c(=O)c(C(=O)N/N=C/c2cccc(c2)F)c(c2c1cccc2)O

STK086597
Synonyms: 4-butoxy-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)nc(o2)c1ccccc1

STK086599
Synonyms: 2-methyl-N-[(E)-naphthalen-2-ylmethylidene]-4-nitroaniline
Smiles: Cc1cc(ccc1/N=C/c1ccc2c(c1)cccc2)[N+](=O)[O-]

STK086600
Synonyms: N'-(3-oxocyclohex-1-en-1-yl)cyclopropanecarbohydrazide
Smiles: O=C1CCCC(=C1)NNC(=O)C1CC1

STK086601
Synonyms: (3Z)-N-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)-3H-benzo[f]chromen-3-imine
Smiles: O/N=c/1\oc2ccc3c(c2cc1c1scc(n1)c1ccccc1)cccc3

STK086616
Synonyms: 2-[(E)-(1H-benzimidazol-2-ylimino)methyl]-6-methoxyphenol
Smiles: COc1cccc(c1O)/C=N/c1nc2c([nH]1)cccc2

STK086619
Synonyms: (5E)-8-bromo-6-(2-chlorophenyl)-3-oxo-1,2,3,4-tetrahydro-1,5-benzodiazocin-4-ylbeta-alaninate
Smiles: NCCC(=O)OC1N=C(c2ccccc2Cl)c2cc(Br)ccc2NCC1=O

STK086649
Synonyms: 5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Smiles: COc1cc(ccc1O)C1C2=C(Nc3c1c(=O)[nH]c(=O)[nH]3)CC(CC2=O)(C)C

STK086652
Synonyms: (4E)-3-(4-nitrophenyl)-5-oxo-4-{2-[3-(trifluoromethyl)phenyl]hydrazinylidene}-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N\Nc2cccc(c2)C(F)(F)F)/C1=O)c1ccc(cc1)[N+](=O)[O-]

STK086653
Synonyms: 4-[(E)-(3-bromophenyl)diazenyl]benzaldehyde
Smiles: O=Cc1ccc(cc1)/N=N/c1cccc(c1)Br

STK086654
Synonyms: 5-tert-butyl-N-hydroxy-1H-pyrazole-3-carboxamide
Smiles: ONC(=O)c1cc([nH]n1)C(C)(C)C

STK086662
Synonyms: N-{[5-(butan-2-yl)-2-hydroxyphenyl]carbamothioyl}-2-nitrobenzamide
Smiles: CCC(c1ccc(c(c1)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-])O)C

STK086673
Synonyms: N-(4-ethylphenyl)biphenyl-4-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)c1ccc(cc1)c1ccccc1

STK086674
Synonyms: N'-(acridin-9-yl)-2-(2-methoxyphenoxy)acetohydrazide
Smiles: COc1ccccc1OCC(=O)NNc1c2ccccc2nc2c1cccc2

STK086677
Synonyms: ethyl5-{[(5-bromonaphthalen-1-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cccc2c1cccc2Br

STK086693
Synonyms: 1-(2-hydroxybenzyl)piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)Cc1ccccc1O

STK086696
Synonyms: (6Z)-6-{3-chloro-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK086698
Synonyms: 3-(2-amino-1,3-thiazol-4-yl)-3-methyl-8-[(3-methylbutoxy)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
Smiles: CC(CCOCC1OC(=O)C2(C1)CC(OC2=O)(C)c1csc(n1)N)C

STK086742
Synonyms: (1E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one
Smiles: CCN(CCC(=O)/C=C/c1ccc(cc1)OC)CC

STK086823
Synonyms: N-cyclohexyl-3-methyl-4-(4-methylphenyl)butanamide
Smiles: CC(Cc1ccc(cc1)C)CC(=O)NC1CCCCC1

STK086847
Synonyms: methyl3-cyano-3-phenylpropanoate
Smiles: COC(=O)CC(c1ccccc1)C#N

STK086862
Synonyms: S-(4,6,7-trimethylquinazolin-2-yl)(3,4-dichlorophenyl)carbamothioate
Smiles: O=C(Sc1nc(C)c2c(n1)cc(c(c2)C)C)Nc1ccc(c(c1)Cl)Cl

STK086886
Synonyms: 8-chloro-7-(3,4-dichlorobenzyl)-1,3-dimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione
Smiles: CN1C(=O)N(C)C2C(C1=O)N(Cc1ccc(c(c1)Cl)Cl)C(=N2)Cl

STK086891
Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-methoxyacetamide
Smiles: COCC(=O)NCCCn1cncc1

STK086955
Synonyms: 2,2,3,3-tetrafluoropropyl5-[(2-bromophenyl)amino]-5-oxopentanoate
Smiles: O=C(OCC(C(F)F)(F)F)CCCC(=O)Nc1ccccc1Br

STK086961
Synonyms: 2-{[1-(4-fluoro-3-phenoxyphenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1ccc(c(c1)Oc1ccccc1)F)NC(=O)C1CCCCC1C(=O)O

STK086962
Synonyms: N-(2-cyclopropylphenyl)acetamide
Smiles: CC(=O)Nc1ccccc1C1CC1

STK086964
Synonyms: N-(1-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-yl)-2-(4-methylpiperidin-1-yl)acetamide
Smiles: CC1CCN(CC1)CC(=O)Nc1c2CCN(c2nc2c1cccc2)C

STK086986
Synonyms: N-[5-(morpholin-4-ylsulfonyl)-2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
Smiles: O=C1CCCN1c1ccc(cc1NS(=O)(=O)c1ccccc1)S(=O)(=O)N1CCOCC1

STK087041
Synonyms: N'-[(2Z)-butan-2-ylidene]-4-nitrobenzohydrazide
Smiles: CC/C(=N\NC(=O)c1ccc(cc1)[N+](=O)[O-])/C

STK087049
Synonyms: 5-({[2-(2-methoxyphenoxy)ethyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-amine
Smiles: COc1ccccc1OCCSCc1nnc(s1)N

STK087111
Synonyms: 1,3-benzodioxole-5-carboxamide
Smiles: NC(=O)c1ccc2c(c1)OCO2

STK087151
Synonyms: 4-oxo-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazole-2-carboxylicacid
Smiles: OC(=O)C1CC(=O)n2c(S1)nc1c2cccc1

STK087159
Synonyms: 4-nitro-N'-[(1E)-1-(2,4,6-trimethylpyridin-3-yl)ethylidene]benzohydrazide
Smiles: Cc1cc(C)c(c(n1)C)/C(=N/NC(=O)c1ccc(cc1)[N+](=O)[O-])/C

STK087161
Synonyms: azocan-1-yl(2-chloro-4-nitrophenyl)methanone
Smiles: Clc1cc(ccc1C(=O)N1CCCCCCC1)[N+](=O)[O-]

STK087162
Synonyms: (4E)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(2-methoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccccc1/C=C/1\C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl

STK087179
Synonyms: 3-[4-(benzyloxy)phenyl]-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
Smiles: COc1cc(ccc1OC)/C(=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)OCc1ccccc1)/C

STK087181
Synonyms: N-(heptan-2-yl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
Smiles: CCCCCC(NC(=O)CCC(=O)NCc1ccc(o1)C)C

STK087197
Synonyms: 2-[2-(9H-carbazol-9-yl)-2-oxoethyl]hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CC(=O)n2c3ccccc3c3c2cccc3)C(=O)C2C1CCCC2

STK087206
Synonyms: (3Z)-3-(2,4-dichlorobenzylidene)-5-(2,4-dimethylphenyl)furan-2(3H)-one-(3Z)-3-benzylidene-5-phenylfuran-2(3H)-one(1:1)
Smiles: O=C1OC(=C/C/1=C/c1ccccc1)c1ccccc1.Clc1ccc(c(c1)Cl)/C=C\1/C=C(OC1=O)c1ccc(cc1C)C

STK087223
Synonyms: 5-(2-amino-1,3-thiazol-4-yl)-5-methyl-3-(2-methylpropyl)dihydrofuran-2(3H)-one
Smiles: CC(CC1CC(OC1=O)(C)c1csc(n1)N)C

STK087225
Synonyms: [4-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-2,3-dihydro-1H-pyrrol-3-yl]aceticacid
Smiles: CCOC(=O)C1=C(C)N(C(=O)C1CC(=O)O)c1ccccc1

STK087255
Synonyms: N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-phenylbutanamide
Smiles: CCC(C(=O)Nc1c(C)nn(c1C)c1ccccc1)c1ccccc1

STK087273
Synonyms: (3E)-3-[(dimethylamino)methylidene]-1-phenylpyrrolidin-2-one
Smiles: CN(/C=C/1\CCN(C1=O)c1ccccc1)C

STK087301
Synonyms: 6,6-dimethyl-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC1=NN(C(=O)C1)c1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK087307
Synonyms: N-benzyl-1-(3,5-dimethoxybenzyl)-N-(2-phenylethyl)piperidine-4-carboxamide
Smiles: COc1cc(CN2CCC(CC2)C(=O)N(Cc2ccccc2)CCc2ccccc2)cc(c1)OC

STK087314
Synonyms: 6-ethyl-7-methyl-2-(piperidin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)N1CCCCC1

STK087329
Synonyms: 5a-(1,2-oxazinan-2-yl)-3,12-diphenyl-5a,6,7,8,9,9a-hexahydrobis[1,2,4,5]tetrazino[1,6-a:6',1'-c]quinoxaline
Smiles: c1ccc(cc1)c1nnc2=c3nnc(nn3C3(C(n2n1)CCCC3)N1CCCCO1)c1ccccc1

STK087342
Synonyms: 1-(2-ethoxybenzyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccccc1OCC

STK087363
Synonyms: 1-{5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-methoxyphenyl)urea
Smiles: COc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1ccc(cc1)OC

STK087403
Synonyms: N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-2-(naphthalen-1-ylamino)acetohydrazide(non-preferredname)
Smiles: CCOc1cc(/C=N/NC(=O)CNc2cccc3c2cccc3)cc(c1O)I

STK087411
Synonyms: 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]acetamide
Smiles: COc1ccc(cc1)n1nc2c(n1)ccc(c2)NC(=O)COc1ccc(cc1)C(C)(C)C

STK087460
Synonyms: (5S)-5-methyl-5-{4-[(7-methyloctyl)oxy]phenyl}imidazolidine-2,4-dione
Smiles: CC(CCCCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C

STK087463
Synonyms: N'-[(1E,2E)-3,7-dimethylocta-2,6-dien-1-ylidene]-3,5-dihydroxybenzohydrazide
Smiles: C/C(=C\C=N\NC(=O)c1cc(O)cc(c1)O)/CCC=C(C)C

STK087470
Synonyms: 5-({1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)N(C)C)C)C(=O)N1C

STK087488
Synonyms: ethyl4-oxo-2-(phenylamino)-4,5-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)C1SC(=NC1=O)Nc1ccccc1

STK087491
Synonyms: N-[2-(methylsulfanyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-1-benzofuran-2-carboxamide
Smiles: CSC1N=C(NC(=O)c2cc3c(o2)cccc3)c2c(N1)sc1c2CCCC1

STK087517
Synonyms: N-[bis(4-methoxyphenyl)methyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1)C(c1ccc(cc1)OC)NC(=O)Cc1cc(OC)c(cc1Br)OC

STK087554
Synonyms: 1-[(2E)-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}hydrazinyl]-1H-1,2,4-triazole
Smiles: COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=N/Nn1cncn1

STK087556
Synonyms: 3-ethynylbenzoicacid
Smiles: C#Cc1cccc(c1)C(=O)O

STK087563
Synonyms: N-cyclohexyl-2-[(5-methyl-1,4-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Smiles: O=C(NC1CCCCC1)CSc1nc(c(n1c1ccccc1)C)c1ccccc1

STK087604
Synonyms: N~2~-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N,N-diethylglycinamide
Smiles: N#CN(c1nc(NC(C)C)nc(n1)NC(C)C)CC(=O)N(CC)CC

STK087609
Synonyms: 4-(diethylamino)benzoicacid-N-(4-chloro-3-nitrophenyl)-4-(diethylamino)benzamide(1:1)
Smiles: CCN(c1ccc(cc1)C(=O)O)CC.CCN(c1ccc(cc1)C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl)CC

STK087615
Synonyms: 2-[(4-methylpyrimidin-2-yl)oxy]-3,3-diphenyl-3-propoxypropanoicacid
Smiles: CCCOC(C(C(=O)O)Oc1nccc(n1)C)(c1ccccc1)c1ccccc1

STK087638
Synonyms: N-butyl-1-[(2E)-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)C/C=C/c1ccccc1

STK087652
Synonyms: (2Z)-3-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1,3-thiazol-2-ylimino)-2H-chromen-7-ol
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2ccc(cc2o/c/1=N\c1nccs1)O

STK087704
Synonyms: 3-bromo-4-methoxybenzoylchloride
Smiles: COc1ccc(cc1Br)C(=O)Cl

STK087714
Synonyms: 2-[(3-carboxypropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
Smiles: OC(=O)CCC(=O)Nc1sc2c(c1C(=O)O)CCCC2

STK087724
Synonyms: 1-(4,5-dimethoxy-2-nitrobenzyl)piperidine-4-carboxylicacid
Smiles: COc1cc(CN2CCC(CC2)C(=O)O)c(cc1OC)[N+](=O)[O-]

STK087786
Synonyms: (4E)-4-[(2-hydroxynaphthalen-1-yl)methylidene]-1-phenylpyrazolidine-3,5-dione
Smiles: O=C1NN(C(=O)/C/1=C/c1c(O)ccc2c1cccc2)c1ccccc1

STK087797
Synonyms: 2-[(phenylcarbonyl)amino]-N-(2-phenylethyl)benzamide
Smiles: O=C(c1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1

STK087831
Synonyms: 1-cyclopropyl-2-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]ethanone
Smiles: CNc1nc(nc(n1)OC)CC(=O)C1CC1

STK087847
Synonyms: N-(4-{(2Z)-2-[3-(4-nitrophenyl)-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK087875
Synonyms: 3-[(E)-({4-[(E)-phenyldiazenyl]phenyl}imino)methyl]benzene-1,2-diol
Smiles: Oc1cccc(c1O)/C=N/c1ccc(cc1)/N=N/c1ccccc1

STK087886
Synonyms: potassium3-[(E)-morpholin-4-yldiazenyl]benzoate
Smiles: [O-]C(=O)c1cccc(c1)/N=N/N1CCOCC1.[K+]

STK087899
Synonyms: N-[1-(thiophen-2-yl)ethyl]acetamide
Smiles: CC(=O)NC(c1cccs1)C

STK087904
Synonyms: N-(4-methoxy-6-methylpyrimidin-2-yl)-N-[(4-methylphenyl)sulfonyl]glycine
Smiles: COc1cc(C)nc(n1)N(S(=O)(=O)c1ccc(cc1)C)CC(=O)O

STK087914
Synonyms: 2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-yl)acetamide
Smiles: O=C(Nc1ccccn1)CN1CCN(CC1)c1ccccc1

STK087922
Synonyms: 4-(benzyloxy)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)Nc1scc(n1)c1ccccc1

STK087930
Synonyms: 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK087940
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSCc1ccccc1F

STK087956
Synonyms: 4-methylmorpholin-4-ium3,5-dicyano-4-methyl-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate
Smiles: C[NH+]1CCOCC1.N#CC1C(=O)NC(=C(C1C)C#N)[S-]

STK087968
Synonyms: 4,8-diethoxy-2-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dihydrocyclohepta[c]pyrrol-6-ylium
Smiles: CCOC1=C[CH+]C=C(c2c1c(C)n(c2C)Cc1ccco1)OCC

STK087991
Synonyms: (2E)-3-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCCOc1ccc(c(c1)C)C)/C(=O)NCc1ccco1

STK087998
Synonyms: 3-[(4-aminophenyl)sulfonyl]-1,3-thiazolidine-2-carboxylicacid
Smiles: OC(=O)C1SCCN1S(=O)(=O)c1ccc(cc1)N

STK088004
Synonyms: N-cyclohexyl-5-(4-methoxyphthalazin-1-yl)-2-methylbenzenesulfonamide
Smiles: COc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NC1CCCCC1)C

STK088010
Synonyms: 2-[(dimethylamino)methyl]-6-nitrophenyldimethylcarbamate
Smiles: CN(Cc1cccc(c1OC(=O)N(C)C)[N+](=O)[O-])C

STK088029
Synonyms: 3-({[(4-ethylphenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoicacid
Smiles: CCc1ccc(cc1)OCC(=O)NC(=S)Nc1cccc(c1C)C(=O)O

STK088052
Synonyms: N-benzyl-N-tert-butyl-2-[4-(propan-2-yl)phenoxy]acetamide
Smiles: CC(c1ccc(cc1)OCC(=O)N(C(C)(C)C)Cc1ccccc1)C

STK088083
Synonyms: 1-(4-ethylbenzyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)CC)C

STK088087
Synonyms: 4-methoxy-N,N-dimethyl-3-nitrobenzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)N(C)C

STK088092
Synonyms: 2-methoxyethyl2-amino-5-oxo-4-(pyridin-3-yl)-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylate
Smiles: COCCOC(=O)C1=C(N)Oc2c(C1c1cccnc1)c(=O)[nH]c1c2cccc1

STK088109
Synonyms: 4-[(E)-(phenylimino)methyl]benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccccc1

STK088136
Synonyms: (2E)-2-[(1-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]hydrazinecarboxamide
Smiles: C=CCc1ccc(c(c1)OC)OCCn1cc(c2c1cccc2)/C=N/NC(=O)N

STK088152
Synonyms: methyl[5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4-oxo-3-(2-phenylethyl)-2-thioxoimidazolidin-1-yl]acetate
Smiles: COC(=O)CN1C(CC(=O)Nc2ccc(cc2)F)C(=O)N(C1=S)CCc1ccccc1

STK088174
Synonyms: N-benzyl-3-(1H-indol-1-yl)propan-1-amine
Smiles: c1ccc(cc1)CNCCCn1ccc2c1cccc2

STK088185
Synonyms: 2-{[(3-chlorophenyl)carbamoyl]amino}benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)Nc1cccc(c1)Cl

STK088206
Synonyms: 2-(1H-benzotriazol-1-yl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
Smiles: O=C(Cn1nnc2c1cccc2)N/N=C/c1ccc(s1)C

STK088213
Synonyms: 5-(4-butylcyclohexyl)-3-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole
Smiles: CCCCCC1CCC(CC1)c1ccc(cc1)c1noc(n1)C1CCC(CC1)CCCC

STK088228
Synonyms: N-(3-butoxypropyl)pyridine-3-carboxamide
Smiles: CCCCOCCCNC(=O)c1cccnc1

STK088236
Synonyms: 2-{[(2-bromophenyl)carbonyl]amino}-N-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Smiles: Cc1ccc(cc1)NC(=O)c1c(sc2c1CCCCC2)NC(=O)c1ccccc1Br

STK088256
Synonyms: methylN-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutanoyl)glycinate
Smiles: COC(=O)CNC(=O)CCC(=O)NCCc1ccc(c(c1)OC)OC

STK088262
Synonyms: (4Z)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-[2-(4-iodo-2-methylphenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2C)I)/C1=O)C

STK088265
Synonyms: (2E)-N-benzyl-2-cyano-3-[2-methyl-1-(2-methylbenzyl)-1H-indol-3-yl]prop-2-enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccccc1C)/C(=O)NCc1ccccc1

STK088270
Synonyms: 8-chloro-4-(pyridin-2-ylsulfanyl)[1]benzofuro[3,2-d]pyrimidine
Smiles: Clc1ccc2c(c1)c1ncnc(c1o2)Sc1ccccn1

STK088276
Synonyms: 1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
Smiles: O=C(Nc1ccccc1C(F)(F)F)Nc1nn2c(s1)nc(cc2=O)C

STK088281
Synonyms: 2-bromo-N-[(E)-(4-methoxynaphthalen-1-yl)methylidene]-4-nitroaniline
Smiles: COc1ccc(c2c1cccc2)/C=N/c1ccc(cc1Br)[N+](=O)[O-]

STK088302
Synonyms: 2,4-dimethoxy-N-(2-methyl-4-nitrophenyl)benzamide
Smiles: COc1ccc(c(c1)OC)C(=O)Nc1ccc(cc1C)[N+](=O)[O-]

STK088320
Synonyms: 2-{(2E)-2-[4-(benzyloxy)benzylidene]hydrazinyl}-N-(3-chloro-4-methylphenyl)-2-oxoacetamide
Smiles: O=C(C(=O)N/N=C/c1ccc(cc1)OCc1ccccc1)Nc1ccc(c(c1)Cl)C

STK088328
Synonyms: N-{(Z)-(acetylamino)[(4-methylquinazolin-2-yl)amino]methylidene}acetamide
Smiles: CC(=O)N/C(=N\C(=O)C)/Nc1nc(C)c2c(n1)cccc2

STK088339
Synonyms: potassium4-[(E)-piperidin-1-yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCCCC1.[K+]

STK088370
Synonyms: 4-({[4-(4-chlorophenyl)-3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: N#Cc1c(SCc2ccc(cc2)C(=O)O)nc(cc1c1ccc(cc1)Cl)c1cccs1

STK088412
Synonyms: 1H-benzimidazol-1-yl(4-ethoxyphenyl)methanone
Smiles: CCOc1ccc(cc1)C(=O)n1cnc2c1cccc2

STK088530
Synonyms: 4-(5-{(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1)C(=O)O)c1ccccc1Cl

STK088546
Synonyms: (2E)-3-[(4-bromo-2-chlorophenyl)amino]-1-(4-bromophenyl)but-2-en-1-one
Smiles: Brc1ccc(cc1)C(=O)/C=C(/Nc1ccc(cc1Cl)Br)\C

STK088548
Synonyms: methyl4-{[(2,6-dichlorophenyl)carbonyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl

STK088571
Synonyms: 6-amino-1-benzyl-3-methyl-4-phenyl-4,7-dihydro-1H-indazole-5-carbonitrile
Smiles: N#CC1=C(N)Cc2c(C1c1ccccc1)c(C)nn2Cc1ccccc1

STK088606
Synonyms: ethyl(2Z)-5-(cyclohex-1-en-1-yl)-2-{(1E)-1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}pent-2-en-4-ynoate
Smiles: CCOC(=O)/C(=C\C#CC1=CCCCC1)/C(=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C

STK088627
Synonyms: 6,6-dimethyl-2-(methylsulfanyl)-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-imine
Smiles: CSc1nc2sc3c(c2c(=N)n1c1ccccc1)CC(OC3)(C)C

STK088629
Synonyms: pyridin-2-yl3-bromobenzoate
Smiles: Brc1cccc(c1)C(=O)Oc1ccccn1

STK088637
Synonyms: 2-[(Z)-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-ethylquinazolin-4(3H)-one
Smiles: CCn1c(/C=C\2/c3cc(Br)ccc3N(C2=O)C)nc2c(c1=O)cccc2

STK088647
Synonyms: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)butan-1-amine-iodomethane(1:1)
Smiles: CCCCNCC1OCc2c(CO1)cccc2.IC

STK088667
Synonyms: (4-methylpiperidin-1-yl){1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl}methanone
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)Cc1sccc1C

STK088676
Synonyms: 1-(2,2-dichlorocyclopropyl)-4-nitrosobenzene
Smiles: O=Nc1ccc(cc1)C1CC1(Cl)Cl

STK088688
Synonyms: (6Z)-2-benzyl-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK088693
Synonyms: 4-(1H-indol-3-yl)-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)c1c[nH]c2c1cccc2

STK088723
Synonyms: 3,3-dimethyl-3,4-dihydro-1H-benzo[c]chromene-1,6(2H)-dione
Smiles: O=C1CC(C)(C)Cc2c1c1ccccc1c(=O)o2

STK088741
Synonyms: 5-{[(E)-(3-chloro-4-{2-[4-(hexyloxy)phenoxy]ethoxy}-5-methoxyphenyl)methylidene]amino}pyrimidine-2,4(1H,3H)-dione
Smiles: CCCCCCOc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)/C=N/c1c[nH]c(=O)[nH]c1=O

STK088742
Synonyms: 2-(prop-2-en-1-yl)-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: C=CCN1Cc2c(C1)ccc(c2)C(=O)O

STK088761
Synonyms: 2-amino-N-{(E)-amino[(5-nitro-1,3-benzoxazol-2-yl)amino]methylidene}benzamide
Smiles: N/C(=N\C(=O)c1ccccc1N)/Nc1nc2c(o1)ccc(c2)[N+](=O)[O-]

STK088768
Synonyms: N,N-dimethyl-1H-indole-2-carboxamide
Smiles: O=C(c1cc2c([nH]1)cccc2)N(C)C

STK088782
Synonyms: 2-chloro-4,6-bis(4-methylpiperidin-1-yl)-1,3,5-triazine
Smiles: CC1CCN(CC1)c1nc(nc(n1)Cl)N1CCC(CC1)C

STK088783
Synonyms: 3-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-3-hydroxy-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Smiles: C=CCN1c2ccccc2C(C1=O)(O)CC(=O)c1ccc2c3c1cccc3CC2

STK088787
Synonyms: 5,7-dihydroxy-4-phenyl-2H-chromen-2-one
Smiles: Oc1cc(O)c2c(c1)oc(=O)cc2c1ccccc1

STK088800
Synonyms: disodium3-(furan-2-yl)-2-{[(2-oxopyrrolidin-1-yl)methyl]phosphinato}propanoate
Smiles: [Na]OC(=O)C(P(=O)(CN1CCCC1=O)O[Na])Cc1ccco1

STK088827
Synonyms: N-(cyclopropylmethyl)-1-[3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanoyl]-N-propylpiperidine-4-carboxamide
Smiles: CCCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)CC1CC1

STK088837
Synonyms: 5-chloro-2-({[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1ccc(cc1C(=O)O)Cl)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK088846
Synonyms: (2Z)-6-chloro-N-(3-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-2H-chromene-3-carboxamide
Smiles: COc1cccc(c1)NC(=O)c1cc2cc(Cl)ccc2o/c/1=N\c1ccccc1OC

STK088879
Synonyms: 4-benzyl-N-[(1Z)-1-(3-methoxyphenyl)ethylidene]piperazin-1-amine
Smiles: COc1cccc(c1)/C(=N\N1CCN(CC1)Cc1ccccc1)/C

STK088882
Synonyms: (5Z)-5-{[1-(4-chlorobenzyl)-2,5-dimethyl-1H-indol-3-yl]methylidene}-3-(3-chlorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Clc1ccc(cc1)Cn1c(C)c(c2c1ccc(c2)C)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)Cl

STK088898
Synonyms: 4-chloro-N-{3-(4-fluorophenyl)-5-[2-(methylamino)-2-oxoethyl]-4-oxo-2-thioxoimidazolidin-1-yl}benzamide
Smiles: CNC(=O)CC1C(=O)N(C(=S)N1NC(=O)c1ccc(cc1)Cl)c1ccc(cc1)F

STK088920
Synonyms: N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
Smiles: O=C(C1CCNCC1)NCc1ccncc1

STK088974
Synonyms: 2-bromo-4-tert-butyl-6-[(E)-(3,5-dimethylphenyl)diazenyl]phenol
Smiles: Cc1cc(C)cc(c1)/N=N/c1cc(cc(c1O)Br)C(C)(C)C

STK088994
Synonyms: N-[(Z)-(1,3-benzoxazol-2-ylamino)(propanoylamino)methylidene]propanamide
Smiles: CCC(=O)N/C(=N\C(=O)CC)/Nc1nc2c(o1)cccc2

STK089000
Synonyms: 4-amino-2-(benzylsulfanyl)-5-(phenylcarbonyl)thiophene-3-carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)sc(c1N)C(=O)c1ccccc1

STK089017
Synonyms: N-ethyl-N-(4-fluorobenzyl)ethanamine
Smiles: CCN(Cc1ccc(cc1)F)CC

STK089060
Synonyms: N-(4-fluorophenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetamide
Smiles: Fc1ccc(cc1)NC(=O)Cc1c(Sc2ccccc2)c2c(n1C)cccc2

STK089063
Synonyms: 1-(2,5-dimethoxybenzyl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
Smiles: COc1ccc(cc1CN1CCC(CC1)C(=O)NCC(O)C)OC

STK089070
Synonyms: 2-(benzylsulfanyl)-6-phenyl-5,6-dihydropyrimidin-4(1H)-one
Smiles: O=C1N=C(SCc2ccccc2)NC(C1)c1ccccc1

STK089074
Synonyms: (6Z)-6-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK089075
Synonyms: N-(2-ethyl-3-methylquinolin-4-yl)-N~2~-[2-(4-hydroxyphenyl)ethyl]glycinamide
Smiles: CCc1nc2ccccc2c(c1C)NC(=O)CNCCc1ccc(cc1)O

STK089083
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)ccc1OC

STK089098
Synonyms: methylN-(1-butyl-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)leucinate
Smiles: CCCCN1C(NC(C(=O)OC)CC(C)C)C(=C(C1=O)C)C

STK089114
Synonyms: N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
Smiles: CN(CCNC(=O)c1ccncc1)C

STK089116
Synonyms: 3-(4-methoxybenzyl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
Smiles: COc1ccc(cc1)Cc1noc(n1)/C=C/c1ccccc1

STK089135
Synonyms: N-{4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}thiophene-2-carboxamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1cccs1

STK089137
Synonyms: 1-[3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanoyl]-N-(propan-2-yl)piperidine-4-carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)C

STK089148
Synonyms: 1H-benzimidazol-1-yl(2,5-dichlorophenyl)methanone
Smiles: Clc1ccc(c(c1)C(=O)n1cnc2c1cccc2)Cl

STK089149
Synonyms: (1R,4R)-1,5,5-trimethylbicyclo[2.2.1]hept-2-yl4-hydroxybenzoate
Smiles: Oc1ccc(cc1)C(=O)OC1C[C@@H]2C[C@]1(C)CC2(C)C

STK089152
Synonyms: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide
Smiles: O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1nnc(s1)C(C)(C)C

STK089155
Synonyms: (3E)-3-{2-[morpholin-4-yl(oxo)acetyl]hydrazinylidene}-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butanamide
Smiles: C/C(=N\NC(=O)C(=O)N1CCOCC1)/CC(=O)NC12CC3CC(C2)CC(C1)C3

STK089167
Synonyms: 2-[(1,1-dioxido-1-benzothiophen-3-yl)sulfanyl]-1,3-benzothiazole
Smiles: O=S1(=O)C=C(c2c1cccc2)Sc1nc2c(s1)cccc2

STK089176
Synonyms: 2-(5-butylpyridin-2-yl)-5-methylphenol
Smiles: CCCCc1ccc(nc1)c1ccc(cc1O)C

STK089181
Synonyms: N-(4-chlorobenzyl)-5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxamide
Smiles: CCCc1ccc(c(c1)OC)OCc1ccc(o1)C(=O)NCc1ccc(cc1)Cl

STK089199
Synonyms: 1-benzyl-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
Smiles: CN(CCNC(=O)c1cc2c(n1Cc1ccccc1)cccc2)C

STK089218
Synonyms: 3-(biphenyl-4-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide
Smiles: CN(c1ccc(cc1)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1)c1ccccc1)C

STK089231
Synonyms: 4-butoxy-N'-[(4-butylcyclohexyl)carbonyl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNC(=O)C1CCC(CC1)CCCC

STK089266
Synonyms: N-[3-(morpholin-4-yl)-4-nitrophenyl]ethane-1,2-diamine
Smiles: NCCNc1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]

STK089268
Synonyms: 3,5-dimethoxy-N-[4-(quinolin-8-yloxy)phenyl]benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)Oc1cccc2c1nccc2

STK089276
Synonyms: 2-imino-N-(2-phenylethyl)-2H-chromene-3-carboxamide
Smiles: O=C(c1cc2ccccc2oc1=N)NCCc1ccccc1

STK089297
Synonyms: {4-[(4-bromophenyl)amino]-1,1-dioxido-2H-1,2-benzothiazin-3-yl}(phenyl)methanone
Smiles: Brc1ccc(cc1)NC1=C(NS(=O)(=O)c2c1cccc2)C(=O)c1ccccc1

STK089314
Synonyms: methyl(4Z)-4-{amino[(phenylcarbonyl)amino]methylidene}-3,5-dioxohexanoate
Smiles: COC(=O)CC(=O)/C(=C(\NC(=O)c1ccccc1)/N)/C(=O)C

STK089333
Synonyms: 2-(5-amino-1-methyl-1H-benzimidazol-2-yl)phenol
Smiles: Nc1ccc2c(c1)nc(n2C)c1ccccc1O

STK089363
Synonyms: (2E)-2-{3-chloro-4-[3-(2,4-dimethylphenoxy)propoxy]-5-ethoxybenzylidene}hydrazinecarboxamide
Smiles: CCOc1cc(/C=N/NC(=O)N)cc(c1OCCCOc1ccc(cc1C)C)Cl

STK089368
Synonyms: N-(7-methoxy-4,5-dihydronaphtho[1,2-d][1,3]thiazol-2-yl)-3-nitrobenzamide
Smiles: COc1ccc2c(c1)CCc1c2nc(s1)NC(=O)c1cccc(c1)[N+](=O)[O-]

STK089388
Synonyms: 4-{(E)-[(2-bromophenyl)imino]methyl}benzene-1,3-diol
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccccc1Br

STK089488
Synonyms: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-diphenyl-1H-pyrrol-2-yl]-4-methylbenzamide
Smiles: N#Cc1c(NC(=O)c2ccc(cc2)C)n(c(c1c1ccccc1)c1ccccc1)Cc1ccco1

STK089493
Synonyms: 1,2-dimethyl-N-(2-nitrobenzyl)-1H-benzimidazol-5-amine
Smiles: [O-][N+](=O)c1ccccc1CNc1ccc2c(c1)nc(n2C)C

STK089518
Synonyms: 1-(4-fluorophenyl)-3-{4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}-2-(2-oxopyridin-1(2H)-yl)propane-1,3-dione
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK089525
Synonyms: 2-[(Z)-(1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(2-methylphenyl)quinazolin-4(3H)-one
Smiles: O=C1N(C)c2c(/C/1=C/c1nc3ccccc3c(=O)n1c1ccccc1C)cccc2

STK089537
Synonyms: 2-hydroxy-4-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1O)/N=C/c1c(O)ccc2c1cccc2

STK089540
Synonyms: 1-(4-fluorobenzyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)F)(C)C

STK089545
Synonyms: 1-benzyl-2-methyl-1H-indol-5-ol
Smiles: Oc1ccc2c(c1)cc(n2Cc1ccccc1)C

STK089546
Synonyms: 2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(N1CCCC1)CN1C(=O)c2c(C1=O)cccc2

STK089547
Synonyms: 4-(4-bromophenyl)-2-methylbut-3-yn-2-ylphenylcarbamate
Smiles: O=C(OC(C#Cc1ccc(cc1)Br)(C)C)Nc1ccccc1

STK089549
Synonyms: prop-2-yn-1-yl(6-chloro-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)carbamodithioate
Smiles: C#CCSC(=S)Nc1nn2c(s1)nc(c(c2=O)Cl)C

STK089552
Synonyms: 2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-imidazol-5-ol
Smiles: Cc1cc(C)c2c(c1)c(C)nc(n2)Nc1ncc([nH]1)O

STK089562
Synonyms: 2-[3-(acetylamino)phenoxy]-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)COc1cccc(c1)NC(=O)C

STK089573
Synonyms: 4-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}benzamide
Smiles: [O-][N+](=O)c1ccc(o1)/C=N/c1ccc(cc1)C(=O)N

STK089578
Synonyms: 2-bromo-6-[(E)-{[5-(butan-2-yl)-2-hydroxyphenyl]imino}methyl]-4-chlorophenol
Smiles: CCC(c1ccc(c(c1)/N=C/c1cc(Cl)cc(c1O)Br)O)C

STK089585
Synonyms: 3-{[7-(furan-2-ylmethyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
Smiles: OCCCNc1ncnc2c1c(c1ccccc1)c(n2Cc1ccco1)c1ccccc1

STK089591
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methylbenzyl)piperidine-4-carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)C)(C)C

STK089599
Synonyms: 3-benzyl-6-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC1CCc2c(C1)c1c(s2)nc(n(c1=O)Cc1ccccc1)S

STK089618
Synonyms: 3a-bromo-8a-phenyl-3a,8a-dihydroindeno[2,1-c]pyrazol-8(1H)-one
Smiles: O=C1c2ccccc2C2(C1(NN=C2)c1ccccc1)Br

STK089620
Synonyms: (5Z)-2-amino-5-(3-fluorobenzylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Smiles: N#CC1=C(C)/C(=C/c2cccc(c2)F)/c2c1nc(N)c(c2C)C#N

STK089623
Synonyms: (6Z)-6-[4-(benzyloxy)-3-iodo-5-methoxybenzylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OCc3ccccc3)/C(=N)n2n1

STK089690
Synonyms: N'-[(E)-{3-methoxy-4-[3-(4-methoxyphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)C)ccc1OCCCOc1ccc(cc1)OC

STK089696
Synonyms: 2-(4-chlorophenyl)-N-{[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]carbamothioyl}acetamide
Smiles: S=C(NC(=O)Cc1ccc(cc1)Cl)Nc1scc(n1)c1cccc2c1cccc2

STK089703
Synonyms: N-{2-[(4-methylpiperazin-1-yl)(oxo)acetyl]phenyl}acetamide
Smiles: CN1CCN(CC1)C(=O)C(=O)c1ccccc1NC(=O)C

STK089716
Synonyms: 2-cyano-N'-{(E)-[4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]methylidene}acetohydrazide
Smiles: N#CCC(=O)N/N=C/c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1

STK089727
Synonyms: N-benzyl-N-(2-chlorobenzyl)-N',N'-dimethylethane-1,2-diamine
Smiles: CN(CCN(Cc1ccccc1Cl)Cc1ccccc1)C

STK089756
Synonyms: 5-{[(E)-(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-2,3-dihydrophthalazine-1,4-dione
Smiles: Clc1cc(/C=N/c2cccc3c2c(=O)[nH][nH]c3=O)c(c(c1)Cl)O

STK089803
Synonyms: (2E)-3-(2-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1Cl)OC)/C(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cl

STK089825
Synonyms: 5-{[(2-fluorophenyl)carbonyl]amino}-2-iodobenzoicacid
Smiles: O=C(c1ccccc1F)Nc1ccc(c(c1)C(=O)O)I

STK089832
Synonyms: 6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1Cl)OCO3)c(C)[nH]n2

STK089836
Synonyms: 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-[4-(pentyloxy)phenyl]acetamide
Smiles: CCCCCOc1ccc(cc1)NC(=O)CC1Nc2ccccc2NC1=O

STK089837
Synonyms: N-[(3Z)-4-phenyl-3H-1,2-dithiol-3-ylidene]aniline
Smiles: c1ccc(cc1)/N=c/1\sscc1c1ccccc1

STK089848
Synonyms: 2-(4-fluorophenyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)quinoline
Smiles: CCCc1noc(n1)c1cc(nc2c1cccc2)c1ccc(cc1)F

STK089855
Synonyms: 4-bromo-N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-1-carboxamide
Smiles: Clc1ccc(cc1Cl)NC(=O)n1nc(c(c1C)Br)C

STK089860
Synonyms: (4Z)-4-[2-(2-hydroxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=N/Nc1ccccc1O)c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1

STK089869
Synonyms: 3-phenyl-1-{(E)-[(phenylcarbamoyl)amino][(4,6,7-trimethylquinazolin-2-yl)amino]methylidene}urea(non-preferredname)
Smiles: O=C(N/C(=N/C(=O)Nc1ccccc1)/Nc1nc(C)c2c(n1)cc(c(c2)C)C)Nc1ccccc1

STK089874
Synonyms: 4-(dimethylamino)-N'-[(1Z)-1-(naphthalen-2-yl)ethylidene]benzohydrazide
Smiles: CN(c1ccc(cc1)C(=O)N/N=C(\c1ccc2c(c1)cccc2)/C)C

STK089877
Synonyms: [(3R)-3,4-dibromo-2,6-dimethyl-3,4-dihydroquinolin-1(2H)-yl](phenyl)methanone
Smiles: Br[C@H]1C(Br)c2cc(C)ccc2N(C1C)C(=O)c1ccccc1

STK089901
Synonyms: 5-(2-carboxyethyl)-2,2-dimethyltetrahydro-2H-pyran-4-carboxylicacid
Smiles: OC(=O)C1CC(C)(C)OCC1CCC(=O)O

STK089934
Synonyms: N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]

STK089937
Synonyms: methyl3-[(3,4-dimethyl-5-oxo-1-propyl-2,5-dihydro-1H-pyrrol-2-yl)amino]-3-(2-ethylphenyl)propanoate
Smiles: CCCN1C(=O)C(=C(C1NC(c1ccccc1CC)CC(=O)OC)C)C

STK089938
Synonyms: 3-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}benzamide
Smiles: Brc1ccc(c(c1)/C=N/c1cccc(c1)C(=O)N)O

STK089940
Synonyms: N-(3a,8a-dihydroxy-8-oxo-3,3a,8,8a-tetrahydroindeno[1,2-d]imidazol-2-yl)acetamide
Smiles: CC(=O)NC1=NC2(C(N1)(O)c1ccccc1C2=O)O

STK089943
Synonyms: N-(3-methoxypyrazin-2-yl)-4-{[(E)-phenylmethylidene]amino}benzenesulfonamide
Smiles: COc1nccnc1NS(=O)(=O)c1ccc(cc1)/N=C/c1ccccc1

STK089956
Synonyms: N,N'-(1,1',3,3'-tetraoxo-1,1',3,3'-tetrahydro-2H,2'H-2,2'-biindene-2,2'-diyl)diacetamide
Smiles: CC(=O)NC1(C(=O)c2c(C1=O)cccc2)C1(NC(=O)C)C(=O)c2c(C1=O)cccc2

STK089978
Synonyms: 5-(4-methoxyphenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
Smiles: COc1ccc(cc1)C1c2c(O)ncnc2Oc2c1c(O)ncn2

STK089987
Synonyms: (2-chloro-4-nitrophenyl)(2,3-dihydro-1H-indol-1-yl)methanone
Smiles: Clc1cc(ccc1C(=O)N1CCc2c1cccc2)[N+](=O)[O-]

STK090016
Synonyms: N~2~-{2-[2-(4-chlorophenyl)ethyl]-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl}glycinamide
Smiles: NC(=O)CNC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2

STK090031
Synonyms: 2-(4-methoxyphenyl)-1-(3-methyl-1H-pyrazol-1-yl)ethanone
Smiles: COc1ccc(cc1)CC(=O)n1ccc(n1)C

STK090035
Synonyms: 6-ethyl-2-hydrazinyl-3,6-dimethyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)SCc2c(C1)c1c(s2)nc(n(c1=O)C)NN

STK090038
Synonyms: methyl3-methylbenzoate
Smiles: COC(=O)c1cccc(c1)C

STK090048
Synonyms: methyl(2Z)-{2-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Smiles: COC(=O)/C=C/1\SC(NC1=O)N/N=C/c1ccc(cc1)C

STK090056
Synonyms: 3-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-yl)propan-1-ol
Smiles: OCCCn1cnc2c(c1=N)c(c1ccccc1)c(n2Cc1ccccc1)c1ccccc1

STK090078
Synonyms: (5E)-5-{4-[3-(4-tert-butylphenoxy)propoxy]-3-chloro-5-ethoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(/C=C\2/SC(=S)NC2=O)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK090105
Synonyms: 4-(5-dodecyl-1,2,4-oxadiazol-3-yl)pyridine
Smiles: CCCCCCCCCCCCc1onc(n1)c1ccncc1

STK090138
Synonyms: (2E)-3-(3-{[(E)-(5-chloro-2-hydroxyphenyl)methylidene]amino}phenyl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)/N=C/c1cc(Cl)ccc1O

STK090173
Synonyms: 5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)C1CCCCC1

STK090180
Synonyms: 2-{[1-(2,4-dimethoxyphenyl)-2-methoxy-2-oxoethyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)C(c1ccc(cc1OC)OC)NC(=O)C1CCCCC1C(=O)O

STK090228
Synonyms: (4-bromophenyl)[(4R)-2-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl]methanone
Smiles: Brc1ccc(cc1)C(=O)N1C(C)C[C@H](c2c1cccc2)Nc1ccccc1

STK090284
Synonyms: 6,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroquinolin-2(1H)-one
Smiles: COc1cc(cc(c1OC)OC)C1CC(=O)Nc2c1cc(C)c(c2)C

STK090322
Synonyms: (5Z)-2-(azepan-1-yl)-5-(3-bromobenzylidene)-1,3-thiazol-4(5H)-one
Smiles: Brc1cccc(c1)/C=C/1\SC(=NC1=O)N1CCCCCC1

STK090331
Synonyms: (4-{(1E)-2-cyano-3-[(2,5-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)aceticacid
Smiles: N#C/C(=C\c1ccc(cc1)OCC(=O)O)/C(=O)Nc1cc(C)ccc1C

STK090342
Synonyms: 5-{[(5-bromopyridin-3-yl)carbonyl]amino}-2-chlorobenzoicacid
Smiles: Brc1cncc(c1)C(=O)Nc1ccc(c(c1)C(=O)O)Cl

STK090349
Synonyms: 3-(2,6-difluorophenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazole
Smiles: Cc1ccc(cc1)/C=C/c1onc(n1)c1c(F)cccc1F

STK090353
Synonyms: 2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(3-methoxyphenyl)ethanone
Smiles: COc1cccc(c1)C(=O)CSc1nc2c([nH]1)ccc(c2)OC

STK090362
Synonyms: (2E)-3-(3-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}phenyl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)/N=C/c1cc(ccc1O)[N+](=O)[O-]

STK090367
Synonyms: (6Z)-6-{3-bromo-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCCOc1cccc(c1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK090399
Synonyms: N,2-diphenyl-1H-indole-1-carboxamide
Smiles: O=C(n1c(cc2c1cccc2)c1ccccc1)Nc1ccccc1

STK090409
Synonyms: 1-(cyclohexylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)CC1CCCCC1)(C)C)C

STK090425
Synonyms: (5E)-5-(3-bromo-4-hydroxybenzylidene)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN1C(=O)NC(=O)/C(=C\c2ccc(c(c2)Br)O)/C1=O

STK090429
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(pyridin-3-yl)butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)Nc2cccnc2)ccc1OC

STK090434
Synonyms: N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetohydrazide
Smiles: Brc1ccc(cc1)/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)/C

STK090453
Synonyms: N-[(E)-1H-indol-3-ylmethylidene]-4-(4-{[(E)-1H-indol-2-ylmethylidene]amino}benzyl)aniline
Smiles: c1ccc2c(c1)c(/C=N/c1ccc(cc1)Cc1ccc(cc1)/N=C/c1cc3c([nH]1)cccc3)c[nH]2

STK090476
Synonyms: N-[2-(ethylamino)ethyl]-2-hydroxy-N-methyl-2,2-diphenylacetamide
Smiles: CCNCCN(C(=O)C(c1ccccc1)(c1ccccc1)O)C

STK090478
Synonyms: 2-{[(4-chloro-2-nitrophenyl)amino]methyl}-1H-isoindole-1,3(2H)-dione
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NCN1C(=O)c2c(C1=O)cccc2

STK090482
Synonyms: 2-[(dimethylamino)methyl]pyridin-3-yl2,2-dimethylpropanoate
Smiles: CN(Cc1ncccc1OC(=O)C(C)(C)C)C

STK090490
Synonyms: N-(4-chlorophenyl)-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)N1c2ccccc2CCc2c1cccc2

STK090497
Synonyms: 2-amino-2',5-dioxo-1',2',4a,5,6,7,8,8a-octahydrospiro[chromene-4,3'-indole]-3-carbonitrile
Smiles: N#CC1=C(N)OC2C(C31C(=O)Nc1c3cccc1)C(=O)CCC2

STK090502
Synonyms: chloro[3-(formyloxy)-3-(2-nitrophenyl)propyl]mercury
Smiles: Cl[Hg]CCC(c1ccccc1[N+](=O)[O-])OC=O

STK090522
Synonyms: methyl(2E)-2-(3-ethoxy-4-hydroxy-5-iodobenzylidene)hydrazinecarboxylate
Smiles: CCOc1cc(/C=N/NC(=O)OC)cc(c1O)I

STK090550
Synonyms: 4-oxo-4-{[3-(phenylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]amino}butanoicacid
Smiles: OC(=O)CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2

STK090555
Synonyms: 2-fluoro-N-(pyridin-2-ylcarbamothioyl)benzamide
Smiles: S=C(NC(=O)c1ccccc1F)Nc1ccccn1

STK090556
Synonyms: 1-({[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino}methyl)naphthalen-2-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)NCc1c(O)ccc2c1cccc2

STK090591
Synonyms: 6-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(prop-2-yn-1-yl)-8-azoniabicyclo[3.2.1]octane
Smiles: C#CC[N+]1(C)C2CC(CC1C(C2)O)OC(=O)C(c1ccccc1)CO

STK090596
Synonyms: 3,3-bis(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)oxy]-3-propoxypropanoicacid
Smiles: CCCOC(C(C(=O)O)Oc1nccc(n1)C)(c1ccc(cc1)F)c1ccc(cc1)F

STK090636
Synonyms: (4E)-4-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C

STK090651
Synonyms: 2-(1H-indol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
Smiles: N(Cc1c[nH]c2c1cccc2)CCc1c[nH]c2c1cccc2

STK090663
Synonyms: (3-methyl-2-phenyl-1,3-oxazol-3-ium-5-yl)(trifluoroacetyl)azanide
Smiles: O=C(C(F)(F)F)[N-]c1c[n+](c(o1)c1ccccc1)C

STK090664
Synonyms: (6Z)-6-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)C(F)(F)F

STK090686
Synonyms: (2E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)Br

STK090687
Synonyms: 2-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: CCSc1nnc(s1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O

STK090691
Synonyms: (2E)-1-(biphenyl-4-yl)-3-(2-hydroxy-3-nitrophenyl)prop-2-en-1-one
Smiles: O=C(c1ccc(cc1)c1ccccc1)/C=C/c1cccc(c1O)[N+](=O)[O-]

STK090695
Synonyms: N-ethyl-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]acetamide
Smiles: CCN(c1nnc(s1)c1ccncc1)C(=O)C

STK090697
Synonyms: N-(2-amino-2-oxoethyl)-N'-(pyridin-3-yl)butanediamide
Smiles: O=C(Nc1cccnc1)CCC(=O)NCC(=O)N

STK090715
Synonyms: N-{3-[(2,3-dimethylphenyl)carbonyl]phenyl}-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)c1cccc(c1C)C

STK090716
Synonyms: (6E)-5-imino-6-[(1-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-1H-indol-3-yl)methylidene]-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: C=CCc1ccc(c(c1)OC)OCCn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK090747
Synonyms: 8-chloro-10-phenyl[1,4]oxathiino[2,3-b]quinolin-3(2H)-one
Smiles: O=C1CSc2c(O1)nc1c(c2c2ccccc2)cc(cc1)Cl

STK090753
Synonyms: N-(4-{[2-(thiophen-2-ylacetyl)hydrazinyl]sulfonyl}phenyl)acetamide
Smiles: O=C(Cc1cccs1)NNS(=O)(=O)c1ccc(cc1)NC(=O)C

STK090756
Synonyms: 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-5-chlorobenzoicacid
Smiles: Clc1ccc(c(c1)C(=O)O)NS(=O)(=O)c1cccc2c1nsn2

STK090760
Synonyms: 3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)-N-(2-phenylethyl)propanamide
Smiles: O=C(C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NCCc1ccccc1

STK090782
Synonyms: (4E)-2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4-{[(pyridin-2-ylmethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1)C1=NN(C(=O)/C/1=C/NCc1ccccn1)c1nc2c(s1)cccc2

STK090783
Synonyms: 4-bromo-N-(2,6-dimethylquinolin-5-yl)benzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1c(C)ccc2c1ccc(n2)C

STK090786
Synonyms: 6-ethyl-7-methyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)Sc1nnc[nH]1

STK090809
Synonyms: [(4-bromonaphthalen-1-yl)oxy]aceticacid
Smiles: OC(=O)COc1ccc(c2c1cccc2)Br

STK090811
Synonyms: 2-[(2Z)-2-(4-bromobenzylidene)hydrazinyl]-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Smiles: Brc1ccc(cc1)/C=N\Nc1nn2c(s1)nc(cc2=O)C

STK090817
Synonyms: {[6,6-dimethyl-4-(piperidin-1-yl)tetrahydro-2H-pyran-3-yl]methylidene}propanedinitrile
Smiles: N#CC(=CC1COC(CC1N1CCCCC1)(C)C)C#N

STK090821
Synonyms: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-{[(E)-(2-hydroxy-3-nitrophenyl)methylidene]amino}phenol
Smiles: Oc1ccc(cc1c1oc2c(n1)cc(c(c2)C)C)/N=C/c1cccc(c1O)[N+](=O)[O-]

STK090835
Synonyms: 1-[(5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]-N-(2,4,6-trimethylphenyl)prolinamide
Smiles: O=C(C1CCCN1C12C[C@@H]3C[C@H](C1)CC(C2)(C3)O)Nc1c(C)cc(cc1C)C

STK090838
Synonyms: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
Smiles: O=C(Nc1nnc(s1)CC(C)(C)C)CCCOc1ccccc1

STK090880
Synonyms: 5-bromo-N-methyl-N-phenylpyridine-3-carboxamide
Smiles: Brc1cncc(c1)C(=O)N(c1ccccc1)C

STK090908
Synonyms: 3-(5-methoxy-1H-indol-3-yl)propanenitrile
Smiles: N#CCCc1c[nH]c2c1cc(OC)cc2

STK090934
Synonyms: 7-(4-fluorobenzyl)-8-(furan-2-ylmethoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(OCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C

STK090958
Synonyms: N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(prop-2-en-1-yl)benzamide
Smiles: C=CCN(C(=O)c1ccccc1)c1sc(c(n1)c1ccc(cc1)OC)C

STK090977
Synonyms: methyl4-{2-[(2-iodophenyl)carbonyl]hydrazinyl}-4-oxobutanoate
Smiles: COC(=O)CCC(=O)NNC(=O)c1ccccc1I

STK091022
Synonyms: bis(1-tert-butyl-1H-tetrazol-5-yl)mercury
Smiles: CC(n1nnnc1[Hg]c1nnnn1C(C)(C)C)(C)C

STK091025
Synonyms: 4-{[4-(diethylamino)-2-methylphenyl]amino}-4-oxobutanoicacid
Smiles: CCN(c1ccc(c(c1)C)NC(=O)CCC(=O)O)CC

STK091031
Synonyms: (4Z)-5-methyl-4-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene}-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)c1csc(n1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccccc1)C

STK091065
Synonyms: N-(3-acetylphenyl)-2-(naphthalen-1-yloxy)acetamide
Smiles: O=C(Nc1cccc(c1)C(=O)C)COc1cccc2c1cccc2

STK091097
Synonyms: N-(2,4,6-trimethylphenyl)-1,3-benzodioxole-5-carboxamide
Smiles: Cc1cc(C)c(c(c1)C)NC(=O)c1ccc2c(c1)OCO2

STK091101
Synonyms: 2-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1cc(ccc1c1ccc(o1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)[N+](=O)[O-]

STK091124
Synonyms: N-methyl-N-(phosphonomethyl)glycine
Smiles: CN(CP(=O)(O)O)CC(=O)O

STK091149
Synonyms: (4Z)-4-{2-[4-chloro-2-(phenylcarbonyl)phenyl]hydrazinylidene}-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK091157
Synonyms: methyl[(4-amino-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nc(N)c2c(n1)sc1c2CC(CC1)C

STK091167
Synonyms: 5-({[2-(4-methylphenoxy)ethyl]sulfanyl}methyl)-1,3,4-thiadiazol-2-amine
Smiles: Cc1ccc(cc1)OCCSCc1nnc(s1)N

STK091169
Synonyms: 1-[2-(5-chloro-2-oxopyridin-1(2H)-yl)-3-oxo-3-phenylpropanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1)(C)C)C

STK091177
Synonyms: 6-(2,4-dichlorophenyl)-7-hydroxy-1,3-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(c(c1)Cl)c1[nH]c2c(c1O)n(C)c(=O)n(c2=O)C

STK091196
Synonyms: (2Z)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-fluorophenyl)-2-(2-oxopyridin-1(2H)-yl)prop-2-enamide
Smiles: CN(CC(CNC(=O)/C(=C/c1ccccc1F)/n1ccccc1=O)(C)C)C

STK091198
Synonyms: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2CCc1ccccc1)N/N=C/c1ccccc1

STK091212
Synonyms: 2-(2-bromo-4-nitrophenoxy)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)COc2ccc(cc2Br)[N+](=O)[O-])cc(c1OC)OC

STK091235
Synonyms: (3E)-4-bromo-5-methyl-3-[(4-nitrophenyl)imino]-1,3-dihydro-2H-indol-2-one
Smiles: O=C1Nc2c(/C/1=N\c1ccc(cc1)[N+](=O)[O-])c(Br)c(cc2)C

STK091261
Synonyms: 6-methyl-3-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]sulfanyl}-1,2,4-triazin-5(4H)-one
Smiles: O=C(C1CCc2c(N1)cccc2)CSc1nnc(c(=O)[nH]1)C

STK091284
Synonyms: 1-acetyl-N-(4-sulfamoylphenyl)-2,3-dihydro-1H-indole-5-sulfonamide
Smiles: CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N

STK091286
Synonyms: 3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Smiles: O=C1CC(C)(C)CC2=C1CC1=C(N2)CC(CC1=O)(C)C

STK091342
Synonyms: methyl4-{(4Z)-4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(cc2)N(C)C)/C1=O)C

STK091355
Synonyms: 5-oxo-1,2-diphenylproline
Smiles: O=C1CCC(N1c1ccccc1)(C(=O)O)c1ccccc1

STK091358
Synonyms: ethyl4-{[(1-benzyl-1H-indol-2-yl)carbonyl]amino}piperidine-1-carboxylate
Smiles: CCOC(=O)N1CCC(CC1)NC(=O)c1cc2c(n1Cc1ccccc1)cccc2

STK091370
Synonyms: 2-{[N-(4-iodophenyl)-N-(methylsulfonyl)glycyl]amino}benzamide
Smiles: O=C(CN(S(=O)(=O)C)c1ccc(cc1)I)Nc1ccccc1C(=O)N

STK091388
Synonyms: (2Z)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-[(2,3-dimethylphenyl)imino]-7-hydroxy-2H-chromene-3-carboxamide
Smiles: CCc1sc(nc1c1ccc(cc1)Br)NC(=O)c1cc2ccc(cc2o/c/1=N\c1cccc(c1C)C)O

STK091406
Synonyms: 1'-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Smiles: CC1CCOC2(O1)c1ccccc1N(C2=O)CN1CCN(CC1)c1ccc(cc1)F

STK091432
Synonyms: 5-bromo-3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
Smiles: Brc1ccc2c(c1)C(O)(C(=O)N2)C1COC(CC1=O)(C)C

STK091440
Synonyms: 4,5,7-trimethyl-N-phenylquinolin-2-amine
Smiles: Cc1cc(C)c2c(c1)nc(cc2C)Nc1ccccc1

STK091452
Synonyms: 3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide
Smiles: NNC(=O)c1[nH]nc(c1C)c1ccc(cc1)OC

STK091460
Synonyms: pyridin-3-ylmethyl(3-chlorophenyl)carbamate
Smiles: O=C(Nc1cccc(c1)Cl)OCc1cccnc1

STK091497
Synonyms: 2-({(2E)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoyl}oxy)ethyl(2E)-3-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enoate
Smiles: O=C(/C=C(/NC1CC(C)(C)NC(C1)(C)C)\C)OCCOC(=O)/C=C(/C1CC(C)(C)NC(C1)(C)C)\C

STK091509
Synonyms: N-[(E)-(6-nitro-1H-indol-3-yl)methylidene]aniline
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]cc2/C=N/c1ccccc1

STK091528
Synonyms: potassium4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzoate
Smiles: CN(/N=N/c1ccc(cc1)C(=O)[O-])C.[K+]

STK091541
Synonyms: N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide
Smiles: O=C(NC(=S)Nc1cc(Cl)c(c(c1)Cl)O)COc1cc(C)cc(c1)C

STK091559
Synonyms: 3-chloro-N-[(2-chloro-4-nitrophenyl)carbamothioyl]-4-ethoxybenzamide
Smiles: CCOc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(cc1Cl)[N+](=O)[O-]

STK091565
Synonyms: 4-chloro-N-(2-methylpropyl)-2-nitrobenzamide
Smiles: CC(CNC(=O)c1ccc(cc1[N+](=O)[O-])Cl)C

STK091571
Synonyms: 1-(2-ethoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazine
Smiles: CCOc1ccccc1N1CCN(CC1)C1CCN(CC1)C

STK091581
Synonyms: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluorobenzamide
Smiles: COc1cc(CCN(C(=O)c2cccc(c2)F)C2CC(=O)N(C2=O)c2ccc(cc2)Cl)ccc1OC

STK091585
Synonyms: ethyl[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetate
Smiles: CCOC(=O)C(=O)Nc1nnc(s1)C(C)(C)C

STK091604
Synonyms: (2E)-N-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)Nc2cccc(c2)C(F)(F)F)cc(c1OC)OC

STK091615
Synonyms: 3-hydroxy-2-(1-phenylethyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: O=C1C2=C(C(N1C(c1ccccc1)C)O)CCCC2

STK091643
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl4-ethoxybenzoate
Smiles: CCOc1ccc(cc1)C(=O)OC1CN2CCC1CC2

STK091649
Synonyms: 2-nitro-N-(2-nitrophenyl)benzenesulfonamide
Smiles: [O-][N+](=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]

STK091667
Synonyms: 2,2'-butane-1,4-diylbis(5-chloro-1,3-dimethyl-1H-3,1-benzimidazol-3-ium)
Smiles: Clc1ccc2c(c1)[n+](C)c(n2C)CCCCc1n(C)c2c([n+]1C)cc(cc2)Cl

STK091668
Synonyms: 5-methyl-3-[(tetrahydrofuran-2-ylmethyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Smiles: Cn1c2ccccc2c2c1nc(SCC1CCCO1)nn2

STK091679
Synonyms: 4-(2,4-dichlorophenyl)-N-(2-ethoxyphenyl)-1,3-thiazol-2-amine
Smiles: CCOc1ccccc1Nc1scc(n1)c1ccc(cc1Cl)Cl

STK091681
Synonyms: 3-bromo-3-butylquinoline-2,4(1H,3H)-dione
Smiles: CCCCC1(Br)C(=O)Nc2c(C1=O)cccc2

STK091684
Synonyms: (2Z)-2-(pentylimino)-2H-chromene-3-carboxamide
Smiles: CCCCC/N=c/1\oc2ccccc2cc1C(=O)N

STK091708
Synonyms: N-[3-(4-methoxyphenyl)-3-oxopropyl]histidine
Smiles: COc1ccc(cc1)C(=O)CCNC(C(=O)O)Cc1c[nH]cn1

STK091709
Synonyms: 4-methyl-1'-(morpholin-4-ylmethyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
Smiles: CC1CCOC2(O1)C(=O)N(c1c2cccc1)CN1CCOCC1

STK091712
Synonyms: 3-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
Smiles: Oc1cccc(c1)/C=N/Nc1cc(nc(n1)N1CCCC1)N1CCCC1

STK091714
Synonyms: 3-[(2-methylprop-2-en-1-yl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1cnc1c2c2CCCCc2s1

STK091720
Synonyms: 2-[5-(4-propylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
Smiles: CCCc1ccc(cc1)c1onc(n1)c1ccccn1

STK091723
Synonyms: N-(4-{(2Z)-2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK091735
Synonyms: 4-{5-[(4-bromophenyl)(morpholin-4-yl)methyl]-1H-tetrazol-1-yl}phenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1)n1nnnc1C(c1ccc(cc1)Br)N1CCOCC1

STK091737
Synonyms: 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-N'-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
Smiles: Ic1ccc(cc1)Nc1nc(nc(n1)Cl)Nc1nc(C)cc(n1)C

STK091755
Synonyms: 4-chloro-N-{(E)-[4-(methylsulfanyl)phenyl]methylidene}aniline
Smiles: CSc1ccc(cc1)/C=N/c1ccc(cc1)Cl

STK091768
Synonyms: methyl1-{[4-(acetyloxy)phenyl]carbonyl}piperidine-4-carboxylate
Smiles: COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)OC(=O)C

STK091770
Synonyms: N-(cyclopentylcarbamothioyl)-4-ethoxy-3-nitrobenzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)NC1CCCC1

STK091821
Synonyms: N-{(Z)-{4-[(2-{[(E)-(5-nitrofuran-2-yl)methylidene]amino}phenyl)amino]phenyl}[(phenylcarbonyl)amino]-lambda~4~-sulfanylidene}benzamide
Smiles: O=C(c1ccccc1)N/S(=N\C(=O)c1ccccc1)/c1ccc(cc1)Nc1ccccc1/N=C/c1ccc(o1)[N+](=O)[O-]

STK091860
Synonyms: methyl2-{[2-oxo-3-(pyridin-3-ylamino)propanoyl]amino}benzoate
Smiles: COC(=O)c1ccccc1NC(=O)C(=O)CNc1cccnc1

STK091861
Synonyms: 1H-benzotriazol-1-yl(pyridin-3-yl)methanone
Smiles: O=C(n1nnc2c1cccc2)c1cccnc1

STK091865
Synonyms: 4'-aminobiphenyl-4-carbonitrile
Smiles: N#Cc1ccc(cc1)c1ccc(cc1)N

STK091870
Synonyms: 4-{[1-(3-fluorophenyl)-3-methoxy-3-oxopropyl]amino}-4-oxobutanoicacid
Smiles: COC(=O)CC(c1cccc(c1)F)NC(=O)CCC(=O)O

STK091907
Synonyms: diethyl2,4-diacetyl-3-{4-[(7-methyloctyl)oxy]phenyl}pentanedioate
Smiles: CCOC(=O)C(C(C(C(=O)OCC)C(=O)C)c1ccc(cc1)OCCCCCCC(C)C)C(=O)C

STK091932
Synonyms: 4-{2-[(3-chloro-1-benzothiophen-2-yl)carbonyl]hydrazinyl}-N-(2,4-dimethylphenyl)-4-oxobutanamide
Smiles: O=C(NNC(=O)c1sc2c(c1Cl)cccc2)CCC(=O)Nc1ccc(cc1C)C

STK091935
Synonyms: N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)N1CCOCC1)COc1ccc(cc1Cl)Cl

STK091941
Synonyms: 8-hydroxy-7-[(7-hydroxy-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)(4-methoxyphenyl)methyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: COc1ccc(cc1)C(c1c(O)nc2n(c1=O)CCCS2)c1c(O)nc2n(c1=O)CCS2

STK091942
Synonyms:
Smiles: CSc1nc2sc3c(c2c2n1n(=S)[nH]n2)CC(OC3)(C)C

STK091946
Synonyms: 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-4-oxobutanoicacid
Smiles: O=C(OC(C(F)(F)F)C(F)(F)F)CCC(=O)O

STK091960
Synonyms: 6-phenyl-3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)C1=Nn2c(SC1)nnc2c1cccnc1

STK092021
Synonyms: ethyl(8Z)-3-amino-8-(hydroxyimino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[3,4-b]pyrazine-2-carboxylate4-oxide
Smiles: CCOC(=O)c1nc2c([n+](c1N)[O-])COC(/C/2=N\O)(C)C

STK092029
Synonyms: 4-[(3,5-dimethylpiperidin-1-yl)carbonyl]phenylacetate
Smiles: CC1CC(C)CN(C1)C(=O)c1ccc(cc1)OC(=O)C

STK092054
Synonyms: 4-[N-(4H-1,2,4-triazol-4-yl)propanimidoyl]phenol
Smiles: CC/C(=N/n1cnnc1)/c1ccc(cc1)O

STK092059
Synonyms: 2'-fluorobiphenyl-4-carboxylicacid
Smiles: Fc1ccccc1c1ccc(cc1)C(=O)O

STK092061
Synonyms: (6Z)-6-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1sc2=NC(=O)/C(=C\c3cc(Br)c(c(c3)OC)OCc3cccc4c3cccc4)/C(=N)n2n1

STK092095
Synonyms: 5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
Smiles: O=C(c1cccc2c1cccc2Br)Nc1cc(C)c(cc1O)C

STK092127
Synonyms: (3,5-di-tert-butyl-4-hydroxyphenyl)-N,N-dimethyl-N-(propoxymethyl)methanaminium
Smiles: CCCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK092145
Synonyms: 4-hydroxyphenyloctanoate
Smiles: CCCCCCCC(=O)Oc1ccc(cc1)O

STK092146
Synonyms: 2-{[2-methoxy-5-(phenylsulfonyl)phenyl]amino}naphthalene-1,4-dione
Smiles: COc1ccc(cc1NC1=CC(=O)c2c(C1=O)cccc2)S(=O)(=O)c1ccccc1

STK092160
Synonyms: 1-(9H-fluoren-9-ylmethoxy)-1-oxopropan-2-aminium4-methylbenzenesulfonate
Smiles: O=C(C([NH3+])C)OCC1c2ccccc2c2c1cccc2.Cc1ccc(cc1)S(=O)(=O)[O-]

STK092161
Synonyms: 1,3-dimethyl-5-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC=C1C(=O)N(C)C(=O)N(C1=O)C

STK092162
Synonyms: 1,2,4-trimethyl-1H-imidazo[4,5-b]quinoxalin-4-ium
Smiles: C[n+]1c2ccccc2nc2c1nc(n2C)C

STK092165
Synonyms: 6-methoxy-4-methylquinazoline-2-thiol
Smiles: COc1ccc2c(c1)c(C)nc(n2)S

STK092167
Synonyms: N-ethyl-N-(2-methylprop-2-en-1-yl)-1-[3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanoyl]piperidine-4-carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)CC(=C)C

STK092176
Synonyms: [2-(6-chloro-2-oxo-2H-chromen-3-yl)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1C)C)c1cc2cc(Cl)ccc2oc1=O

STK092197
Synonyms: 2-chloro-N-(3,4-difluorophenyl)benzamide
Smiles: O=C(c1ccccc1Cl)Nc1ccc(c(c1)F)F

STK092225
Synonyms: ethyl2-{[(3-methylphenyl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccccc1NC(=O)c1cccc(c1)C

STK092233
Synonyms: 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N'-{(Z)-[3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(F)cc2)N/N=C(\c1cccc(c1)C(F)(F)F)/c1ccc(cc1)C(F)(F)F

STK092236
Synonyms: 1-(4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}phenyl)ethanone
Smiles: Clc1ccc(cc1/C=N/c1ccc(cc1)C(=O)C)[N+](=O)[O-]

STK092240
Synonyms: 3-(propan-2-ylideneamino)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CC(=NN1C(=S)SCC1=O)C

STK092241
Synonyms: 2,4,5-trichloro-6-{(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl}pyridine-3-carbonitrile
Smiles: N#Cc1c(Cl)nc(c(c1Cl)Cl)N/N=C(/c1ccccn1)\C

STK092245
Synonyms: 2-(acridin-9-ylamino)-5-tert-butoxy-5-oxopentanoicacid(non-preferredname)
Smiles: O=C(OC(C)(C)C)CCC(C(=O)O)Nc1c2ccccc2nc2c1cccc2

STK092263
Synonyms: N-[3-({[(4-methylphenoxy)acetyl]carbamothioyl}amino)phenyl]furan-2-carboxamide
Smiles: O=C(NC(=S)Nc1cccc(c1)NC(=O)c1ccco1)COc1ccc(cc1)C

STK092299
Synonyms: (1S,2R,3aR)-2-(2-fluoro-5-methoxyphenyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Smiles: COc1ccc(c(c1)[C@@H]1[C@H](N2[C@@H](C1(C#N)C#N)C=Cc1c2cccc1)C(=O)C12CC3CC(C2)CC(C1)C3)F

STK092300
Synonyms: 3-tert-butyl-1-(2-carboxyphenyl)-1H-tetrazol-3-ium
Smiles: OC(=O)c1ccccc1n1cn[n+](n1)C(C)(C)C

STK092316
Synonyms: N-(cyanomethyl)-4-phenoxybutanamide
Smiles: N#CCNC(=O)CCCOc1ccccc1

STK092317
Synonyms: (2E)-2-[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]hydrazinecarboxamide
Smiles: NC(=O)N/N=C/C(Cc1ccc2c(c1)OCO2)C

STK092338
Synonyms: N'-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-2-(4-bromonaphthalen-1-yl)acetohydrazide
Smiles: O=C(Cc1ccc(c2c1cccc2)Br)N/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

STK092352
Synonyms: 5-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Smiles: Cc1cccc(c1)c1onc(n1)c1cccc(c1)C(F)(F)F

STK092376
Synonyms: 2-{[(E)-(2,3-dichlorophenyl)methylidene]amino}benzonitrile
Smiles: N#Cc1ccccc1/N=C/c1cccc(c1Cl)Cl

STK092385
Synonyms: 4-fluoro-N'-[1-(4-fluorobenzyl)-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzohydrazide
Smiles: Fc1ccc(cc1)CN1C(NNC(=O)c2ccc(cc2)F)C(=C(C1=O)C)C

STK092400
Synonyms: ethyl[(5E)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(c(c2)OC)O)/C1=O

STK092424
Synonyms: 2-nitrophenyl4-butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1ccccc1[N+](=O)[O-]

STK092467
Synonyms: N-ethyl-N-(4-fluorobenzyl)-2-methylprop-2-en-1-amine
Smiles: CCN(Cc1ccc(cc1)F)CC(=C)C

STK092496
Synonyms: 4-[(2-bromophenyl)carbonyl]-3-(4-methoxyphenyl)-3,4-dihydro-1H-isochromen-1-one
Smiles: COc1ccc(cc1)C1OC(=O)c2c(C1C(=O)c1ccccc1Br)cccc2

STK092537
Synonyms: 1-(cyclohexylmethyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)CC1CCCCC1

STK092560
Synonyms: (4E)-4-[2-(4-methylphenyl)hydrazinylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK092570
Synonyms: 1-(4-ethoxybenzyl)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)CN1C(=O)CC(=O)N=C1O

STK092587
Synonyms: (5E)-5-{4-[3-(4-tert-butylphenoxy)propoxy]-3-chloro-5-methoxybenzylidene}-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCCCOc1ccc(cc1)C(C)(C)C)Cl

STK092588
Synonyms: 2-{[5-(acetylamino)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
Smiles: CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)Nc1ccccn1

STK092616
Synonyms: 6-amino-1-benzyl-4-(4-methoxyphenyl)-3-methyl-4,7-dihydro-1H-indazole-5-carbonitrile
Smiles: N#CC1=C(N)Cc2c(C1c1ccc(cc1)OC)c(C)nn2Cc1ccccc1

STK092621
Synonyms: N-(4-methoxybenzyl)-5-phenylfuran-2-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1ccc(o1)c1ccccc1

STK092656
Synonyms: (2E)-N-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Smiles: O=C(Nc1nnc(s1)SCC(=O)Nc1cccc(c1C)Cl)/C=C/c1ccccc1

STK092672
Synonyms: 7-benzyl-8-(2,5-dimethylphenoxy)-1,3-dimethyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione
Smiles: Cc1ccc(c(c1)OC1=NC2C(N1Cc1ccccc1)C(=O)N(C(=O)N2C)C)C

STK092676
Synonyms: 5-chloro-2-{[(4-chloro-3-nitrophenyl)sulfonyl]amino}-N-(2,5-dichlorophenyl)benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1cc(Cl)ccc1Cl)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl

STK092684
Synonyms: 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C)C

STK092697
Synonyms: 1,1'-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-1H-pyrrole-3,4-diyl]diethanone
Smiles: CC(=O)c1c(C)n(c(c1C(=O)C)C)CC1CCCO1

STK092708
Synonyms: 1-(4-methoxybenzyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
Smiles: COc1ccc(cc1)CN1CCC(CC1)C(=O)N[C@@H](c1ccccc1)C

STK092709
Synonyms: 2-(4-butoxyphenyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(o1)c1ccccc1C

STK092732
Synonyms: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-diphenyl-1H-pyrrol-2-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)Nc1c(C#N)c(c(n1Cc1ccco1)c1ccccc1)c1ccccc1

STK092742
Synonyms: 2-{[5-(acetylamino)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl}-N-(pyrimidin-2-yl)acetamide
Smiles: CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)Nc1ncccn1

STK092747
Synonyms: (2Z)-2-(3,4-dimethoxyphenyl)-3-{4-[2-(4-methylphenoxy)ethoxy]phenyl}prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCCOc1ccc(cc1)C)/c1ccc(c(c1)OC)OC

STK092752
Synonyms: ethyl3-[(2E)-5-methoxy-2-[(2Z)-2-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-1,3-benzothiazol-3(2H)-yl]propanoate
Smiles: CCOC(=O)CCn1/c(=C\C=C\2/SC(=S)N(C2=O)c2ccccc2)/sc2c1cc(OC)cc2

STK092756
Synonyms: (5-bromo-2-methoxyphenyl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])Br

STK092783
Synonyms: 4-amino-5-bromo-1-({2-[(2,5-dimethylbenzyl)oxy]ethoxy}methyl)pyrimidin-2(1H)-one
Smiles: Cc1ccc(c(c1)COCCOCn1cc(Br)c(nc1=O)N)C

STK092790
Synonyms: N,N'-{sulfanediylbis[(2-phenyl-1H-inden-3-yl-1-ylidene)nitrilobenzene-4,1-diyl]}diacetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=C\1/c2ccccc2C(=C1c1ccccc1)SC1=C(c2ccccc2)/C(=N\c2ccc(cc2)NC(=O)C)/c2c1cccc2

STK092793
Synonyms: [(3R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydroquinolin-1(2H)-yl](phenyl)methanone
Smiles: O[C@H]1C(O)c2cc(C)ccc2N(C1C)C(=O)c1ccccc1

STK092794
Synonyms: 2-[(2,2'-dichloro-6-phenyl-4,5'-bipyrimidin-4'-yl)amino]-5-nitrophenol
Smiles: Clc1ncc(c(n1)Nc1ccc(cc1O)[N+](=O)[O-])c1nc(Cl)nc(c1)c1ccccc1

STK092807
Synonyms: 1-(10H-indolo[3,2-b]quinolin-10-yl)ethanone
Smiles: CC(=O)n1c2ccccc2c2c1cc1ccccc1n2

STK092824
Synonyms: 6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
Smiles: CNc1nc(nc(n1)Nc1ccccc1C(F)(F)F)OC(C(F)(F)F)C(F)(F)F

STK092840
Synonyms: N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-tetrazol-5-yl}cyclohexanamine
Smiles: Clc1ccc(cc1)C(n1nnnc1C1(CCCCC1)NCc1ccccc1)c1ccccc1Cl

STK092857
Synonyms: (5E)-5-[(2Z)-2-(1-methylnaphtho[1,2-d][1,3]oxazol-2(1H)-ylidene)ethylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/C=c/2\oc3c(n2C)c2ccccc2cc3)/C1=O

STK092861
Synonyms: N-(2-chlorobenzyl)-1-(3-ethoxy-4-hydroxybenzyl)piperidine-4-carboxamide
Smiles: CCOc1cc(ccc1O)CN1CCC(CC1)C(=O)NCc1ccccc1Cl

STK092873
Synonyms: (2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
Smiles: N#C/C(=C/c1c[nH]c2c1cccc2)/C(=O)N

STK092885
Synonyms: 5-({1-[2-(2-chlorophenoxy)ethyl]-2-methyl-1H-indol-3-yl}methylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccccc2Cl)C(=O)N1C

STK092898
Synonyms: N-{3-chloro-4-[(7-methyloctyl)oxy]benzyl}imidodicarbonimidicdiamide
Smiles: CC(CCCCCCOc1ccc(cc1Cl)CNC(=N)NC(=N)N)C

STK092918
Synonyms: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-methylbutyl)piperidine-4-carboxamide
Smiles: CC(CCN1CCC(CC1)C(=O)NCC(CN(C)C)(C)C)C

STK092927
Synonyms: 2-{[3-(4-methoxybenzyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)Cn1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK092934
Synonyms: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(3-methoxybenzyl)pentanediamide
Smiles: COc1cccc(c1)CNC(=O)CCCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK092969
Synonyms: methyl2-[(phenylcarbamothioyl)amino]-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1cccc2

STK092989
Synonyms: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
Smiles: N=c1c2CCCc2n(c2c1CCC2)C

STK093014
Synonyms: 4-carbamoylphenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)N

STK093017
Synonyms: N-(5-chloro-2-methoxyphenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Smiles: N#Cc1c(SCC(=O)Nc2cc(Cl)ccc2OC)nc(c2c1CCCC2)C

STK093032
Synonyms: 10H-phenothiazin-10-yl(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)methanone
Smiles: O=C(N1c2ccccc2C(CC1(C)C)(C)c1ccccc1)N1c2ccccc2Sc2c1cccc2

STK093050
Synonyms: 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoicacid
Smiles: COc1ccc(cc1)c1nc(sc1CCC(=O)O)Nc1ccccc1

STK093063
Synonyms: (4Z)-4-[2-(3-hydroxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Oc1cccc(c1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1

STK093064
Synonyms: 1-(2-hydroxy-3-methoxybenzyl)-N-(2-phenylethyl)piperidine-4-carboxamide
Smiles: COc1cccc(c1O)CN1CCC(CC1)C(=O)NCCc1ccccc1

STK093066
Synonyms: N-(9-ethyl-9H-carbazol-3-yl)pyridine-4-carboxamide
Smiles: CCn1c2ccc(cc2c2c1cccc2)NC(=O)c1ccncc1

STK093083
Synonyms: 2-(3-amino-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
Smiles: OCCn1c(=N)n(c2c1cccc2)N

STK093089
Synonyms: 11-(1,3-benzodioxol-5-yl)-3,3-dimethyl-7-(phenylcarbonyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: CCC(=O)N1C(c2ccc3c(c2)OCO3)C2=C(Nc3c1ccc(c3)C(=O)c1ccccc1)CC(CC2=O)(C)C

STK093104
Synonyms: N'-[(E)-(3,4-dichlorophenyl)(phenyl)methylidene]-1,3-diphenyl-1H-pyrazole-4-carbohydrazide
Smiles: O=C(c1cn(nc1c1ccccc1)c1ccccc1)N/N=C(/c1ccc(c(c1)Cl)Cl)\c1ccccc1

STK093108
Synonyms: [2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]-N,N-dimethylmethanaminium
Smiles: COc1ccc(cc1OC)C1=C(C[NH+](C)C)C(c2c(O1)cccc2)c1ccccc1

STK093126
Synonyms: 2-(5-iodofuran-2-yl)-1H-benzimidazole
Smiles: Ic1ccc(o1)c1nc2c([nH]1)cccc2