FULL DB

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

STK599276
Synonyms: 4-fluoro-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)F)Cc1cc2cc(OC)ccc2[nH]c1=O

STK599277
Synonyms: 6-methoxy-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N/N=C/c1ccccc1OC

STK599279
Synonyms: 1'-methyl-8-nitro-3-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)[N+](=O)[O-]

STK599281
Synonyms: N-[(2,4-dimethoxybenzyl)carbamoyl]-L-leucine
Smiles: COc1cc(OC)ccc1CNC(=O)N[C@H](C(=O)O)CC(C)C

STK599282
Synonyms: 2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1COc1ccc(cc1)C

STK599285
Synonyms: 1-butyl-2-imino-10-methyl-N-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: CCCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCC(C)C

STK599286
Synonyms: 8-(decylsulfanyl)-6-hydroxy-7-(2-methoxyethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCSc1nc2c(n1CCOC)c(O)nc(=O)n2C

STK599288
Synonyms: 2-(4-fluorophenyl)-N-[(2E)-3-(3-methoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: COc1cccc(c1)CN1/C(=N\C(=O)Cc2ccc(cc2)F)/SC2C1CS(=O)(=O)C2

STK599289
Synonyms: N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: COCCN(C(=O)c1ccco1)Cc1cc2cccc(c2[nH]c1=O)C

STK599290
Synonyms: 1-(2-phenylethyl)-2-sulfanyl-6-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)CC1CCCO1)CCc1ccccc1

STK599291
Synonyms: 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK599294
Synonyms: N-benzyl-1H-indole-7-carboxamide
Smiles: O=C(c1cccc2c1[nH]cc2)NCc1ccccc1

STK599295
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Br)N(C(=O)C1=O)c1ccccn1)/O

STK599297
Synonyms: 5-(2-hydroxy-3,5-dimethylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-3-carboxamide
Smiles: Cc1cc(C)c(c(c1)c1[nH]nc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)O

STK599301
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK599302
Synonyms: 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1COc1ccc(cc1)C

STK599303
Synonyms: N-[(1Z)-1-{1-cyano-2-[(2-methylpropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)NCC(C)C

STK599304
Synonyms: N-{4-[(3a'S,6a'R)-5-bromo-3'-(1H-indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Br)cc2

STK599305
Synonyms: 6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl{[(benzyloxy)carbonyl]amino}(phenyl)acetate
Smiles: O=C(NC(C(=O)Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)c1ccccc1)OCc1ccccc1

STK599306
Synonyms: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine
Smiles: Cc1nn(c(c1)C)c1cc(nc(n1)c1ccccc1)N1CCCC1

STK599307
Synonyms: 10-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3,7,7-tetramethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1ccccc1O)C

STK599308
Synonyms: N-{4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5-methyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2

STK599309
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)C(C)C

STK599310
Synonyms: N-(2-phenylethyl)-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: S=C(N1CCc2c(C1)cc1c(c2)OCCCO1)NCCc1ccccc1

STK599311
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-cyclohexylmethylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/C1CCCCC1

STK599313
Synonyms: 3-ethyl-2-[(2-fluorobenzyl)sulfanyl]-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccccc2F)nc2c(c1=O)c1CCN(Cc1s2)C

STK599315
Synonyms: methyl3-[8-(4-methoxyphenyl)-1,6,7-trimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate
Smiles: COC(=O)CCn1c(=O)c2n3c(C)c(n(c3nc2n(c1=O)C)c1ccc(cc1)OC)C

STK599316
Synonyms: 4-{[(E)-pyridin-3-ylmethylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cccnc1

STK599317
Synonyms: N-(2-bromophenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Br)nnc1COc1ccccc1

STK599319
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cccc2CC)N=C2C(=C(O)CCC2)C1c1ccco1

STK599320
Synonyms: ethyl4-[(12-ethyl-12-methyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]butanoate
Smiles: CCOC(=O)CCCSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)CC

STK599322
Synonyms: 1-(3,4-dimethoxyphenyl)-2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cc(ccc1OC)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK599323
Synonyms: N~6~-(tert-butoxycarbonyl)-N~2~-{3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]propanoyl}-L-lysine
Smiles: O=C(N[C@H](C(=O)O)CCCCNC(=O)OC(C)(C)C)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK599324
Synonyms: (3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5'-(2-methoxyethyl)-6,7-dimethyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1ccc(c2C)C

STK599325
Synonyms: (2E,5Z)-2-[(3-chlorophenyl)imino]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Clc1cccc(c1)/N=C\1/S/C(=C\C=C\c2ccco2)/C(=N1)O

STK599327
Synonyms: N-[(2E)-5,5-dioxido-3-(2-phenylethyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=C\1/SC2C(N1CCc1ccccc1)CS(=O)(=O)C2)Cc1ccccc1

STK599328
Synonyms: 5-cyclohexyl-4-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cc(/C=N/n2c(=S)[nH]nc2C2CCCCC2)c(c(c1)Br)O

STK599330
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1OC)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

STK599331
Synonyms: 4-[7-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]benzene-1,3-diol
Smiles: Clc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1ccc(cc1O)O

STK599332
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1Br

STK599333
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-(5-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(s1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK599334
Synonyms: N'-(7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1c(C)c(n2Cc1ccccc1)C)C

STK599335
Synonyms: N-[2-(4-tert-butylphenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)C(C)(C)C

STK599337
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK599338
Synonyms: 2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc2OCOc2c1)c1ccc(o1)c1ccc(cc1[N+](=O)[O-])Cl

STK599339
Synonyms: 5-(furan-2-yl)-4-{[(E)-(2,4,6-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(OC)cc(c1/C=N/n1c(=S)[nH]nc1c1ccco1)OC

STK599340
Synonyms: 3-(4-chlorophenyl)-7-(2,4-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Clc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1ccc(cc1C)C

STK599343
Synonyms: 1-[(2,2-dimethyl-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]propan-2-ol
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCC(O)C

STK599344
Synonyms: N-[2-(dimethylamino)ethyl]-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CN(CCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)C

STK599345
Synonyms: methylN-[(1-phenylethyl)carbamoyl]-D-leucinate
Smiles: COC(=O)[C@H](NC(=O)NC(c1ccccc1)C)CC(C)C

STK599346
Synonyms: 3-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]quinazolin-4(3H)-one
Smiles: CC([C@H](n1cnc2c(c1=O)cccc2)C(=O)N1CCCCCC1)C

STK599347
Synonyms: N-(2-ethylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccccc1)c1cnccn1

STK599348
Synonyms: 3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-[4-(propan-2-yl)phenyl]propanamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK599350
Synonyms: N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCC1)C

STK599353
Synonyms: 4-chloro-N-methyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)C

STK599356
Synonyms: 6,7-dimethoxy-2-[(4-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STK599357
Synonyms: N-(2,4-dimethoxyphenyl)-4-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: COc1cc(OC)ccc1NC(=O)CCCn1cnc2c(c1=O)cccc2

STK599358
Synonyms: (4Z)-4-[(2-methoxyphenyl)imino]-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccn1

STK599359
Synonyms: 2-{[4-ethyl-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methoxyphenyl)ethanone
Smiles: COc1ccccc1C(=O)CSc1nnc(n1CC)c1ccccc1F

STK599363
Synonyms: 2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl)CC

STK599364
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK599365
Synonyms: 5-[5-(benzylsulfonyl)-1,3,4-oxadiazol-2-yl]pentan-1-amine
Smiles: NCCCCCc1nnc(o1)S(=O)(=O)Cc1ccccc1

STK599366
Synonyms: 3-[({[4-(2-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1c1ccccc1Cl)c1ccco1

STK599368
Synonyms: N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)nnc1Cc1cccs1

STK599369
Synonyms: ethyl4-{[(2-hydroxy-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydroquinolin-4-yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1CC(=NC2=C1C(=O)CC(C2)(C)C)O

STK599370
Synonyms: 3-(2,4-dimethoxyphenyl)-7-(4-fluorophenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: COc1cc(OC)ccc1C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(cc1)F

STK599371
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccc1OC)C

STK599375
Synonyms: 2-(4-chlorophenyl)-10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)c1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK599376
Synonyms: 1-(4-ethoxy-3-methoxyphenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)c2c1c(=O)c1c(o2)cccc1

STK599377
Synonyms: 9-(3-chloro-2-methylphenyl)-3-ethyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1cccc(c1C)Cl

STK599378
Synonyms: 5,10,10-trimethyl-2-(4-methylphenyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2

STK599379
Synonyms: ethyl(6-ethyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)acetate
Smiles: CCOC(=O)Cn1c2nc3c(n2c(c1c1ccccc1)CC)c(=O)n(c(=O)n3C)C

STK599381
Synonyms: 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(cc2)C(C)(C)C)Cc2nc4c([nH]2)cccc4)cccc3)CC(C1)(C)C

STK599382
Synonyms: 2-benzyl-4-hydroxy-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide1,1-dioxide
Smiles: Cc1onc(c1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1

STK599384
Synonyms: 7-(3-chloro-4-methylphenyl)-2-(4-ethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CCc1ccc(cc1)c1nn2c(n1)c1cnn(c1nc2)c1ccc(c(c1)Cl)C

STK599385
Synonyms: 2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)COc1cc(C)cc2c1c1CCCc1c(=O)o2)C

STK599386
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)c1ccc(cc1)F)C

STK599387
Synonyms: (3a'R,8b'S)-5-fluoro-2'-(2-phenylethyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Fc1ccc2c(c1)C1(C(=O)N2)N2CCCC2[C@@H]2[C@H]1C(=O)N(C2=O)CCc1ccccc1

STK599388
Synonyms: 5-ethyl-3-(3-ethylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylpropanoate
Smiles: CCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CC)cccc3)c1cccc(c1)CC

STK599390
Synonyms: N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: COc1cccc(c1)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK599392
Synonyms: (4E)-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK599394
Synonyms: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Smiles: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)NC1CCCc2c1cccc2

STK599396
Synonyms: 3-[(2,6-dichlorobenzyl)oxy]-1-hydroxy-5-methyl-9H-xanthen-9-one
Smiles: Clc1cccc(c1COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)Cl

STK599397
Synonyms: 2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1cccnc1

STK599398
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccccc1OC

STK599399
Synonyms: 4-{[(E)-(5-bromo-2-methoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C)Br

STK599400
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-nitrophenyl)carbonyl]-2'-[(4-propylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK599402
Synonyms: N-[(2Z)-1,3-benzoxazol-2(3H)-ylidene]-5-(4-methoxybenzyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)CN1CNC(=NC1)/N=c/1\oc2c([nH]1)cccc2

STK599403
Synonyms: (3Z)-8-ethoxy-4-imino-3-(1H-indol-3-ylmethylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: CCOc1ccc2c(c1)sc1=NC(=O)/C(=C\c3c[nH]c4c3cccc4)/C(=N)n21

STK599406
Synonyms: 3-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}propane-1,2-diol
Smiles: OCC(CSc1ncnc2c1sc1c2c2CCCc2c(n1)C(C)C)O

STK599407
Synonyms: 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(C)C)/C(=O)OC

STK599408
Synonyms: tert-butyl(3S)-3-{[2-(cyclohexylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(NC1CCCCC1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK599409
Synonyms: (4Z)-6-(1-benzofuran-2-yl)-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1n/c(=N\c2ccccc2)/[nH]c(n1)c1cc2c(o1)cccc2

STK599410
Synonyms: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-(3-bromophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Brc1cccc(c1)N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O

STK599411
Synonyms: (5E)-6-hydroxy-3-(4-iodophenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\c2c([nH]c3c2cccc3)c2ccccc2)/C1=O)O

STK599413
Synonyms: 2-(methylsulfanyl)-9-(pyridin-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1ccccn1

STK599414
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccc(c(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1F)F

STK599415
Synonyms: 4-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1Cl)n1c(=S)[nH]nc1c1ccco1

STK599416
Synonyms: N'-{(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CC2C(=NN=C2O)C)ccc1OCc1ccccc1

STK599417
Synonyms: (4E)-4-[hydroxy(4-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/O)/C1c1ccccc1

STK599419
Synonyms: 3-[(4-fluorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCc1ccc(cc1)F

STK599420
Synonyms: 3-(4-methoxyphenyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl2-methylpropanoate
Smiles: COc1ccc(cc1)n1cc(c2c1nc(C(C)C)n1c2nc2c1cccc2)OC(=O)C(C)C

STK599421
Synonyms: 3-(4-chlorophenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CCCc1s2

STK599423
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK599424
Synonyms: 3-amino-N-[2-(3-chlorophenyl)ethyl]-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
Smiles: Clc1cccc(c1)CCNC(=O)c1sc2c(c1N)ccc(n2)c1cccs1

STK599425
Synonyms: N-[(2Z)-3-(5-chloro-2,4-dimethoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: COc1cc(OC)c(cc1N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2)Cl

STK599426
Synonyms: (3a'S,6a'R)-5'-tert-butyl-5-chloro-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)C(C)C)C(=O)N2

STK599427
Synonyms: N-(4-bromophenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK599428
Synonyms: ethyl7-(2,3-dimethoxyphenyl)-2-methyl-5-phenyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(N=c2n(C1c1cccc(c1OC)OC)nc([nH]2)C)c1ccccc1

STK599429
Synonyms: N-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: CCNC(=S)N1CCc2c(C1)cc(c(c2)OC)OC

STK599430
Synonyms: N'-[(E)-(4-methoxyphenyl)methylidene]-5-[4-(3-methylbutoxy)phenyl]-1H-pyrazole-3-carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCCC(C)C

STK599431
Synonyms: N-[(3E)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-nitrobenzenesulfonamide
Smiles: CCCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1cc(C)ccc1c2

STK599432
Synonyms: 6-hydroxy-1'-methyl-6'-nitro-2',3-diphenyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: CN1c2ccc(cc2CC2(C1c1ccccc1)C(=NC(=O)N(C2=O)c1ccccc1)O)[N+](=O)[O-]

STK599434
Synonyms: 2-phenyl-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclododeca[4,5]thieno[2,3-d][1,3]oxazin-4-one
Smiles: O=c1oc(nc2c1c1CCCCCCCCCCc1s2)c1ccccc1

STK599435
Synonyms: (3a'S,6a'R)-7-chloro-5'-(4-fluorobenzyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cccc2Cl

STK599437
Synonyms: (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/C=C/c2ccccc2)/Oc2c1ccc(c2C[NH+]1CCCCC1)[O-]

STK599438
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)OCC(Cn1c(NCCCn2cncc2)nc2c1c(=O)n(C)c(=O)n2C)O

STK599440
Synonyms: (3a'S,6a'R)-5-chloro-3'-(2-methylpropyl)-5'-(2-phenylethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(Cl)cc1)C

STK599443
Synonyms: (5Z)-2,6-dihydroxy-5-{1-[2-(naphthalen-1-yl)hydrazinyl]propylidene}pyrimidin-4(5H)-one
Smiles: CC/C(=C/1\C(=NC(=NC1=O)O)O)/NNc1cccc2c1cccc2

STK599444
Synonyms: 3'-phenyl-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[indene-2,5'-pyrazino[1,2-a]quinoline]-1,3-dione
Smiles: O=C1c2ccccc2C(=O)C21Cc1ccccc1N1C2CN(CC1)c1ccccc1

STK599446
Synonyms: 2,6-diamino-4-[3-methoxy-4-(propan-2-yloxy)phenyl]-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1ccc(c(c1)OC)OC(C)C)C#N)N

STK599447
Synonyms: N-[(4-fluorophenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)F

STK599448
Synonyms: 2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(COc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)NCc1ccncc1

STK599454
Synonyms: methyl2-[(8S,8aR,11aS)-8-(furan-2-ylcarbonyl)-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]-4,5-dimethylthiophene-3-carboxylate
Smiles: COC(=O)c1c(sc(c1C)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1C2c2ccccc2C=C1)C(=O)c1ccco1

STK599455
Synonyms: (3R,3'S,5'R)-5'-benzyl-5-chloro-N-(4-methoxyphenyl)-7-methyl-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1C)Cc1ccccc1

STK599456
Synonyms: 4-hydroxy-8-(2-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purin-2(6H)-one
Smiles: COc1ccccc1N1CCn2c1nc1c2c(O)nc(=O)n1C

STK599457
Synonyms: N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]norleucyl-S-benzyl-D-cysteine
Smiles: CCCCC(C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C

STK599458
Synonyms: N-(4-ethoxyphenyl)-2-(10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-ylsulfanyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK599459
Synonyms: 4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5H-pyrimido[5,4-b]indole
Smiles: COc1c(cccc1OC)/C=N/Nc1ncnc2c1[nH]c1c2cccc1

STK599460
Synonyms: N-(4-fluorophenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccccc1)c1ccccn1

STK599461
Synonyms: N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-cyano-2-fluorobenzamide
Smiles: N#Cc1ccc(c(c1)F)C(=O)Nc1ccc(c(c1)Cl)c1nc2c(o1)cccn2

STK599463
Synonyms: 8-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: COc1cc(CCNc2nc3nnnn3c3c2c2CCN(Cc2s3)Cc2ccccc2)ccc1OC

STK599464
Synonyms: (1S,2S)-N'-{(E)-[5-(3-chlorophenyl)furan-2-yl]methylidene}-2-phenylcyclopropanecarbohydrazide
Smiles: Clc1cccc(c1)c1ccc(o1)/C=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1

STK599465
Synonyms: N,N-diethyl-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C)CC

STK599466
Synonyms: 7-fluoro-1-(2-fluorophenyl)-2-(6-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cccc(n1)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)ccc(c1)F

STK599467
Synonyms: (3a'S,6a'R)-5-fluoro-3'-(1H-indol-3-ylmethyl)-5'-(4-methylphenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)C)Cc1c[nH]c3c1cccc3)C(=O)N2

STK599468
Synonyms: N'-[7-(4-methoxyphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: COc1ccc(cc1)n1c(C)c(c2c1ncnc2NCCCN(C)C)C

STK599469
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-amine
Smiles: COc1cc(CCNc2ncnc3c2oc2c3c3CCCc3c(n2)C(C)C)ccc1OC

STK599470
Synonyms: 5,7-dimethyl-N-(naphthalen-1-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: Cc1cc(C)n2c(n1)nc(n2)C(=O)Nc1cccc2c1cccc2

STK599471
Synonyms: 5-(2-fluorophenyl)-4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1/C=C/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK599475
Synonyms: methylN-1,3-benzothiazol-2(3H)-ylidene-2-(diethoxyphosphoryl)-3,3,3-trifluoroalaninate
Smiles: CCOP(=O)(C(C(F)(F)F)(C(=O)OC)/N=c\1/sc2c([nH]1)cccc2)OCC

STK599476
Synonyms: 2-{(2E)-[(1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
Smiles: Cc1n(C)c2c(c1/C=N/N=c/1\[nH]c3c([nH]1)cccc3)cccc2

STK599477
Synonyms: 1-(4-chlorophenyl)-N,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccc(cc1)OC

STK599478
Synonyms: N-[(2Z)-5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-oxo-1,3-benzothiazol-3(2H)-yl)acetamide
Smiles: O=C(NC(C)(C)C)CSc1n[nH]/c(=N/C(=O)Cn2c(=O)sc3c2cccc3)/s1

STK599479
Synonyms: (1'R,2'R)-1'-(2,2-dimethylpropanoyl)-2'-(3-methoxyphenyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C

STK599482
Synonyms: (5E)-5-{1-[(4-fluorophenyl)amino]ethylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2ccc(cc2)F)/C)/C1=O)O

STK599483
Synonyms: methylN-(cyclopentylcarbamoyl)-D-phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NC1CCCC1

STK599484
Synonyms: 2-{5-[(4-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Smiles: COc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccccn1

STK599487
Synonyms: 1-(1,3-benzodioxol-5-yl)-5-oxo-N-{(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}pyrrolidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C)NC(c1ccccc1)C

STK599489
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK599490
Synonyms: 8-{[benzyl(methyl)ammonio]methyl}-3-(biphenyl-4-yloxy)-4-oxo-4H-chromen-7-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1occ(c2=O)Oc1ccc(cc1)c1ccccc1)Cc1ccccc1

STK599492
Synonyms: 1'-(2,2-dimethoxyethyl)-2,6-dihydroxy-6'-nitro-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinolin]-4-one
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=NC2=O)O)O)OC

STK599493
Synonyms: 2-{[3-cyano-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cc(OC)ccc2OC)N=C2C(=C(O)CCC2)C1c1ccco1

STK599495
Synonyms: 2-{2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl}-3H-benzo[f]chromen-3-one
Smiles: COc1ccc2c(c1OC)C(=O)OC2Nc1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1

STK599496
Synonyms: ethyl(1'R,2'R)-2'-(3-chlorophenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1cccc(c1)Cl)C(=O)c1c(C2=O)cccc1

STK599497
Synonyms: (4E)-4-[(methylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3(2H,4H)-dione
Smiles: CN/C=C\1/C(=O)N(c2cccc(c2)C(F)(F)F)C(=O)c2c1cccc2

STK599498
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1N(c2nnc(s2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

STK599499
Synonyms: 8-(3-methoxyphenyl)-1,6,7-trimethyl-3-(prop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)c1cccc(c1)OC

STK599502
Synonyms: 6-(2-chlorobenzyl)-1-(4-fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Fc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccccc1Cl

STK599503
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1COc1ccccc1

STK599504
Synonyms: N-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK599506
Synonyms: ethyl(2E)-2-({(2E)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1s/c(=N/C(=O)/C(=C/c2ccc(cc2)C(C)C)/C#N)/[nH]c1C

STK599508
Synonyms: N-(1,1,1,3,3,3-hexafluoro-2-{[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]amino}propan-2-yl)benzamide
Smiles: O=C(c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)/N=c\1/scc([nH]1)C

STK599511
Synonyms: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(c(c1)OC)O)c(=O)c1c(o2)cccc1

STK599514
Synonyms: 2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK599516
Synonyms: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-1-(naphthalen-1-yl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCCN2Cc1ccccc1)c1cccc2c1cccc2

STK599517
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(2-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK599518
Synonyms: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1cccc(c1)Cl

STK599519
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2CC)nnc1COc1ccccc1

STK599520
Synonyms: 4-({[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCc1ccc(cc1)C#N

STK599521
Synonyms: 1,7-dimethyl-3-(2-methylpropyl)-8-(2-phenylethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CCc1ccccc1)C)C

STK599522
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chlorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1COc1ccc(cc1)Cl

STK599524
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-3-[4-(propan-2-yloxy)phenyl]propan-1-amine
Smiles: CC(Oc1ccc(cc1)C(C1CCCCC1)CCNCc1ccc2c(c1)OCO2)C

STK599525
Synonyms: (5Z)-3-cyclohexyl-5-{1-[(furan-2-ylmethyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C(/NCc2ccco2)\C)/C(=O)N1C1CCCCC1

STK599527
Synonyms: pentyl[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetate
Smiles: CCCCCOC(=O)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CC(OC3)(C)C

STK599528
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1C)Br)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK599531
Synonyms: (E)-{1-[2-(diethylammonio)ethyl]-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

STK599532
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

STK599533
Synonyms: 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c2ccccc2cc2c1cccc2

STK599534
Synonyms: [1-hydroxy-3,3-dimethyl-11-(5-methylfuran-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](phenyl)methanone
Smiles: Cc1ccc(o1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)c1ccccc1)cccc2)(C)C

STK599536
Synonyms: N-(furan-2-ylmethyl)-4-methoxy-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(Cc1cc2ccc(cc2[nH]c1=O)C)Cc1ccco1

STK599539
Synonyms: 2-[(3-chlorophenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1cccc(c1)Cl

STK599541
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK599544
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK599545
Synonyms: N-(3-acetylphenyl)-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(CN1CCc2c(C1C)cc1c(c2)OCCCO1)Nc1cccc(c1)C(=O)C

STK599546
Synonyms: 2-{5-[(3-methoxybenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine
Smiles: COc1cccc(c1)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK599547
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3-nitrophenyl)carbonyl]-3'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CC(Oc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3)C

STK599548
Synonyms: (3a'S,6a'R)-7-chloro-5'-(2-methoxyethyl)-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCOC)C(=O)Nc1c2cccc1Cl

STK599549
Synonyms: (4Z)-6-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2)C)/[nH]1

STK599550
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(10H-phenothiazin-10-yl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2c3ccccc3Sc3c2cccc3)nnc1c1ccc(cc1)C

STK599551
Synonyms: 4-methyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)C)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK599552
Synonyms: N-[4-(diethylamino)phenyl]-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccc1F)CC

STK599553
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CCN(Cc2cc1OC)CC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl

STK599554
Synonyms: 5-phenyl-4-[4-(pyrimidin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
Smiles: c1ccc(cc1)c1csc2c1c(ncn2)N1CCN(CC1)c1ncccn1

STK599556
Synonyms: N-[6-chloro-3-(4-fluorophenyl)-4-oxo-4H-chromen-2-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)Nc1oc2ccc(cc2c(=O)c1c1ccc(cc1)F)Cl

STK599557
Synonyms: 3-[4-(methoxycarbonyl)phenoxy]-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: COC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[O-]

STK599558
Synonyms: 3-acetyl-1',3'-dimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CN(CC1)C(=O)C)[N+](=O)[O-]

STK599560
Synonyms: N-(3-chloro-4-methoxyphenyl)-N'-[3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl]quinoxaline-2,3-diamine
Smiles: COc1ccc(cc1Cl)Nc1nc2ccccc2nc1Nc1cc(nn1c1ccc(cc1)[N+](=O)[O-])C

STK599561
Synonyms: N-(5-chloro-2-methylphenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1COc1ccc(cc1)C

STK599562
Synonyms: (4E)-1-butyl-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)OC

STK599563
Synonyms: 3-(1H-benzimidazol-2-yl)-1-(3-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Clc1cccc(c1)Cn1c2nc3ccccc3nc2c(c1N)c1nc2c([nH]1)cccc2

STK599564
Synonyms: N-[(2Z)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1CC(=O)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK599565
Synonyms: 4-chloro-N-(2-methoxyethyl)-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccc(cc1)Cl)Cc1cc2cc(C)ccc2[nH]c1=O

STK599566
Synonyms: methyl4-[2-(1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1

STK599567
Synonyms: N-[(5-hydroxypentyl)carbamoyl]-L-phenylalanine
Smiles: OCCCCCNC(=O)N[C@H](C(=O)O)Cc1ccccc1

STK599570
Synonyms: N-[5-hydroxy-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-phenylbutanamide
Smiles: COc1ccc(cc1)c1nc2n(n1)c(cc(n2)O)NC(=O)C(c1ccccc1)CC

STK599571
Synonyms: 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}quinazolin-4(3H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C(=O)CCn1cnc2c(c1=O)cccc2

STK599573
Synonyms: 8-(3-chlorophenyl)-1,6,7-trimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCN1CCCCC1

STK599574
Synonyms: N-(3-methoxypropyl)-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: COCCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK599577
Synonyms: 4-hydroxy-2-phenyl-6-[(pyridin-2-ylsulfanyl)methyl]-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Oc1cc(CSc2ccccn2)nc2c1c(=O)n([nH]2)c1ccccc1

STK599579
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK599580
Synonyms: 7-butyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCn1c(CN2CCN(CC2)C)nc2c1c(=O)n(c(=O)n2C)C

STK599581
Synonyms: 4-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]quinoline
Smiles: N(=C\c1ccnc2c1cccc2)/N=c/1\[nH]c2c([nH]1)cccc2

STK599582
Synonyms: 10,10-dimethyl-2-[(2-methylpiperidin-1-yl)methyl]-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCCCN1Cc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK599583
Synonyms: 3-(2-chlorophenyl)-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazole
Smiles: CCOc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nnc1c1ccccc1Cl

STK599584
Synonyms: 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(c(c1)Cl)Cl

STK599585
Synonyms: (1'R,2'R)-2'-(3-chlorophenyl)-1'-[(4-methylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Clc1cccc(c1)[C@H]1[C@H](C(=O)c2ccc(cc2)C)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK599586
Synonyms: 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(C)C

STK599587
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK599589
Synonyms: 2-(benzylsulfanyl)-5-methyl-6-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1ccc(cc1)Cc1c(C)nc2n(c1O)nc(n2)SCc1ccccc1

STK599590
Synonyms: 2-[(2,6-dimethylmorpholin-4-yl)carbonyl]-1-(3-methoxypropyl)-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)N1CC(C)OC(C1)C

STK599591
Synonyms: 2-(2-bromophenyl)-5,9-dimethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1ccccc1Br

STK599593
Synonyms: (3'E)-1-butyl-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1'-(tetrahydrofuran-2-ylmethyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
Smiles: CCCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\O)/C(=O)C(=O)N2CC1CCCO1

STK599594
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methylphenyl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)C

STK599595
Synonyms: 1-{5-chloro-4-[(4-hydroxyphenyl)amino]-6-oxopyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-2-carboxylicacid
Smiles: Oc1ccc(cc1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3

STK599596
Synonyms: (4-hydroxy-1,1-dioxido-2-propyl-2H-1,2-benzothiazin-3-yl)(morpholin-4-yl)methanone
Smiles: CCCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)N1CCOCC1

STK599597
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-2-(4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)/N=c\1/sc2c([nH]1)cccc2

STK599599
Synonyms: 1-(2,3-dimethylphenyl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Sc1nc(=O)c2c(n1c1cccc(c1C)C)NCN(C2)CCc1ccccc1

STK599600
Synonyms: [1-amino-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl](piperidin-1-yl)methanone
Smiles: O=C(c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1)N1CCCCC1

STK599601
Synonyms: 6-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCCc1ccccc1)c(n2)CN1CCOCC1)C

STK599602
Synonyms: 4-(2,4-dichlorophenoxy)-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)butan-1-one
Smiles: Clc1ccc(c(c1)Cl)OCCCC(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK599603
Synonyms: 3-[(2,4-dichlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK599604
Synonyms: (1'S,3R,3'S,7a'S)-6''-chloro-7''-methyl-1'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)Cl

STK599606
Synonyms: 6'-chloro-1,3-diphenyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: O=C1N(c2ccccc2)C(=O)C2(C(=O)N1c1ccccc1)Cc1c(Cl)cccc1N1C2CCC1

STK599607
Synonyms: N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-2-phenoxypropanamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)C(Oc1ccccc1)C)/[nH]2

STK599608
Synonyms: 2-(2-chlorophenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK599610
Synonyms: 3-[(3-bromobenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)Br)nnc1c1ccc(cc1)C(C)(C)C

STK599612
Synonyms: (2Z)-1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Smiles: CCOc1cc(ccc1OC(F)F)C(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK599613
Synonyms: {[(3-bromobenzyl)sulfanyl][(4-fluorophenyl)amino]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1cccc(c1)Br)C#N

STK599614
Synonyms: 8-[(2Z)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-7-(4-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC1=NC(=O)/C(=N\Nc2nc3c(n2Cc2ccc(cc2)F)c(O)nc(=O)n3C)/C(=N1)O

STK599615
Synonyms: N-(3,5-dimethylphenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1COc1ccc(cc1)C

STK599616
Synonyms: 3-(3-hydroxypropyl)-1-methyl-8-(3-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)C

STK599619
Synonyms: 2-methoxy-6-[4-(3-methoxyphenoxy)quinazolin-2-yl]phenol
Smiles: COc1cccc(c1)Oc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK599621
Synonyms: (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-3-(4-fluorobenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)CN1C(=O)N=C(/C(=C\NCCC2=CCCCC2)/C1=O)O

STK599623
Synonyms: 2-(4-bromophenyl)-N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)Cc1ccc(cc1)Br

STK599624
Synonyms: 2-(4-methoxybenzyl)-10-methyl-8-phenyl-11-(pyridin-3-yl)-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)Oc2c(C1c1cccnc1)c(C)nn2c1ccccc1

STK599626
Synonyms: 1,6-dibenzyl-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(S)n(c2c1CN(CN2)Cc1ccccc1)Cc1ccccc1

STK599627
Synonyms: 4-{5-[(E)-{2-[(4-nitrophenyl)carbonyl]hydrazinylidene}methyl]furan-2-yl}benzenesulfonamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N/N=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N

STK599631
Synonyms: 8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK599633
Synonyms: 5-bromo-3-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
Smiles: Brc1ccc2c(c1)c(C)c([nH]2)C(=O)NCc1cccnc1

STK599635
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1Br)C

STK599637
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: COc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK599638
Synonyms: 4-hydroxy-1,7-dimethyl-8-(1-phenylethyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)C(c1ccccc1)C)C)C

STK599642
Synonyms: N-[1-(cyclohexylmethyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methoxybenzamide
Smiles: COc1cccc(c1)C(=O)NC1(N=C(N(C1=O)CC1CCCCC1)O)C(F)(F)F

STK599644
Synonyms: 7-(2-chlorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(CN1CCN(CC1)c1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C)C

STK599645
Synonyms: N-[(2Z)-3-(2,3-dimethylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)C)CS(=O)(=O)C2

STK599646
Synonyms: 6-(3-chlorophenyl)-9-(4-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Cc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1cccc(c1)Cl

STK599647
Synonyms: 3'-(3,5-dimethoxybenzyl)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: COc1cc(cc(c1)OC)CN1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2C(C)OC(C1)C)[N+](=O)[O-])O

STK599649
Synonyms: (4E)-1-(3-chlorophenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)Cl

STK599651
Synonyms: 8-[2-(dimethylamino)ethyl]-4-hydroxy-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: CN(CCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C)C

STK599652
Synonyms: 4-bromo-N-[(3E)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzenesulfonamide
Smiles: Brc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]n(c2c1cc1ccc(cc1n2)C)CC(C)C

STK599653
Synonyms: methyl(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Smiles: COC(=O)Cc1c(C)nc2n(c1O)ncn2

STK599654
Synonyms: 3-[(3-chlorophenyl)sulfonyl]-1-cycloheptyl-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Clc1cccc(c1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)C1CCCCCC1

STK599655
Synonyms: 3-{5-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoicacid
Smiles: SC1=NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(=O)O)/C(=N1)O

STK599656
Synonyms: 2-methyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCCc1cc(O)n2c(n1)nc(n2)C

STK599657
Synonyms: 2-methoxyethyl6-(3-chlorophenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate
Smiles: COCCOC(=O)c1oc2c(c1C)C(=O)CC(C2)c1cccc(c1)Cl

STK599660
Synonyms: 2-benzyl-7-chloro-1-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccn1)Cc1ccccc1

STK599661
Synonyms: 3-(4-ethoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

STK599663
Synonyms: 1-methyl-8-(2-methylphenyl)-3-(2-methylprop-2-en-1-yl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CC(=C)Cn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccccc1C

STK599664
Synonyms: 1-(4-fluorophenyl)-2-(6-methoxy-1,3-benzothiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)ccc(c1)C

STK599665
Synonyms: 1-{4-hydroxy-6-[(pyridin-2-ylsulfanyl)methyl]pyrimidin-2-yl}-3-(3-methoxyphenyl)guanidine
Smiles: COc1cccc(c1)NC(=N)Nc1nc(O)cc(n1)CSc1ccccn1

STK599668
Synonyms: N-(4-butoxyphenyl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: CCCCOc1ccc(cc1)NC(=O)Cn1cnc2c(c1=O)cccc2

STK599670
Synonyms: (4E)-5-(4-chlorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1nccs1)/O

STK599671
Synonyms: methyl4-{[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl](propanoyl)amino}benzoate
Smiles: COC(=O)c1ccc(cc1)N(C(=O)CC)/C=C/1\Sc2c(C1=O)cccc2

STK599673
Synonyms: (2'S,3S,3'S,10b'R)-2'-(phenylcarbonyl)-3'-[(2-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK599674
Synonyms: N-(3,5-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK599675
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK599676
Synonyms: 2-[(Z)-2-(4-chlorophenyl)-1-cyanoethenyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(cc1)Cl)/c1ccccc1C(=O)O

STK599678
Synonyms: N-benzyl-2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)NCc2ccccc2)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK599679
Synonyms: 9-(4-fluorophenyl)-1,7-dimethyl-3-[(2E)-3-phenylprop-2-en-1-yl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CC1CN(c2ccc(cc2)F)c2n(C1)c1c(=O)n(C/C=C/c3ccccc3)c(=O)n(c1n2)C

STK599680
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1)C

STK599683
Synonyms: 2-{[3-cyano-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])N=C2C(=C(O)CCC2)C1c1ccc(c(c1)OC)O

STK599684
Synonyms: 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-propyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK599685
Synonyms: (3S,3a'R,8a'S,8b'S)-5-chloro-2'-(4-chloro-2-methoxy-5-methylphenyl)-7-methyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: COc1cc(Cl)c(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Cl)cc2C)C

STK599686
Synonyms: N-[4-(dimethylamino)phenyl]-3-(4-oxoquinazolin-3(4H)-yl)propanamide
Smiles: O=C(Nc1ccc(cc1)N(C)C)CCn1cnc2c(c1=O)cccc2

STK599687
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-[(3,4-dimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK599688
Synonyms: 4-[(4-chlorophenyl)carbonyl]-2-(2-methoxy-5-nitrophenyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N1C(=O)C2C(C1=O)C1N(C2C(=O)c2ccc(cc2)Cl)CCC1)[N+](=O)[O-]

STK599690
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(2-chloro-10H-phenothiazin-10-yl)ethanone
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)N1c2ccccc2Sc2c1cc(Cl)cc2

STK599691
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N'-[(E)-thiophen-3-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CN(c1ccccc1)C)c1nonc1N)N/N=C/c1cscc1

STK599692
Synonyms: N-[3-(dimethylamino)propyl]-2-[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetamide
Smiles: CN(CCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCC1)C

STK599693
Synonyms: N-[(2Z)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: COc1ccc(cc1)N1/C(=N/C(=O)Cc2ccccc2)/SC2C1CS(=O)(=O)C2

STK599694
Synonyms: propyl[(2,4-dichlorophenyl)(phenylamino)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: CCCOP(=O)(C(c1ccc(cc1Cl)Cl)Nc1ccccc1)c1ccc(cc1)N(C)C

STK599695
Synonyms: (4Z)-4-[(4-chlorophenyl)imino]-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Clc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1F

STK599697
Synonyms: 5-(4-chlorobenzyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(C)c(c(n1)O)Cc1ccc(cc1)Cl

STK599698
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)c1ccccc1F

STK599699
Synonyms: (8Z)-8-[(2E)-(1,3-benzodioxol-5-ylmethylidene)hydrazinylidene]-1,3,7-trimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Cn1/c(=N\N=C\c2ccc3c(c2)OCO3)/[nH]c2c1c(=O)n(c(=O)n2C)C

STK599700
Synonyms: 3-[(2S)-3-methyl-1-oxo-1-(piperidin-1-yl)butan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)N1CCCCC1)C

STK599702
Synonyms: (8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)(3-methoxyphenyl)methanone
Smiles: COc1cccc(c1)C(=O)N1CCc2c(C1)c1cc(Cl)ccc1[nH]2

STK599703
Synonyms: N-[3-(methylsulfanyl)phenyl]-2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: CSc1cccc(c1)NC(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK599705
Synonyms: 4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(2-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK599708
Synonyms: 6-chloro-1-hydroxy-9-oxo-9H-xanthen-3-yl2-{[(4-methylphenyl)sulfonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1)Cl)NS(=O)(=O)c1ccc(cc1)C

STK599709
Synonyms: 1-(4-chlorophenyl)-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1cccc(c1)Cl

STK599710
Synonyms: N-[(2Z)-3-(3-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: Fc1cccc(c1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK599712
Synonyms: 6-methyl-5-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)N1CCN(CC1)c1ccccc1)C

STK599713
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-phenylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccccc1

STK599715
Synonyms: 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-butyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCn1c(N/N=C/c2ccc(cc2)Br)nc2c1c(O)nc(=O)n2C

STK599717
Synonyms: 9-(5-methyl-1,2-oxazol-3-yl)-8-(3-nitrophenyl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)c2ccccc2cc1

STK599719
Synonyms: ethyl5-hydroxy-2-methyl-4-(4-{[(4-methylphenyl)carbonyl]oxy}phenyl)-4H-indeno[1,2-b]pyridine-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N=C2C(=C(O)c3c2cccc3)C1c1ccc(cc1)OC(=O)c1ccc(cc1)C

STK599720
Synonyms: 4-({N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-leucyl}amino)butanoicacid
Smiles: CC(C[C@@H](C(=O)NCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)C

STK599721
Synonyms: methyl4-(2-amino-6-hydroxy-4-oxo-4,5-dihydro-3H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3

STK599722
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1c(C)cccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)C

STK599723
Synonyms: 1-amino-N-(2,4-dimethoxyphenyl)-8,8-dimethyl-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCCC1

STK599724
Synonyms: N-[7-(4-methylphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
Smiles: CCC(=O)Nc1nn2c(n1)NC(CC2c1ccc(cc1)C)c1ccccc1

STK599726
Synonyms: 4-chloro-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CN(S(=O)(=O)c1ccc(cc1)Cl)c1ccccc1C

STK599728
Synonyms: (4E)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(3,4-dimethylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1Cl)N/C=C\1/C(=O)N(c2ccc(c(c2)C)C)C(=O)c2c1cccc2

STK599729
Synonyms: (4E)-5-(4-bromophenyl)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)Br

STK599730
Synonyms: N-[(2E)-4,8-dimethylquinazolin-2(1H)-ylidene]-5-(pyridin-3-ylmethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: Cc1cccc2c1[nH]/c(=N\C1=NCN(CN1)Cc1cccnc1)/nc2C

STK599731
Synonyms: propan-2-yl{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1)C

STK599732
Synonyms: (2'S,3R,3'S,7a'S)-5''-fluoro-2'-[(3-methoxyphenyl)carbonyl]-5',6',7',7a'-tetrahydrodispiro[indole-3,1'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@]2(C(=O)Nc3c2cc(F)cc3)N2[C@H]([C@]31C(=O)Nc1c3cccc1)CCC2

STK599733
Synonyms: (2'S,3R,7a'S)-N-(4-methoxyphenyl)-7-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cccc1C)CCC2

STK599734
Synonyms: 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK599735
Synonyms: (5Z)-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=NC(=O)N(C2=O)C)O)C(=NC(=NC1=O)O)O

STK599737
Synonyms: 2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)C

STK599738
Synonyms: 1-(4-chlorophenyl)-6-(2-methoxyethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)Cl)S

STK599741
Synonyms: 2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)CCc1ccccc1

STK599742
Synonyms: 7-chloro-3-ethyl-6'-hydroxy-3'-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
Smiles: CCN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=NC(=O)N(C1=O)c1ccccc1)O

STK599743
Synonyms: N-(4-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: Clc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1C)Cl

STK599744
Synonyms: 2-(1,3-benzothiazol-2-yl)-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CC(c1ccc(cc1)C1N(c2nc3c(s2)cccc3)C(=O)c2c1c(=O)c1c(o2)cccc1)C

STK599746
Synonyms: 5-{[(2Z)-3-(4-chlorobenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-5-oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1Cc1ccc(cc1)Cl)CS(=O)(=O)C2

STK599747
Synonyms: 3-(2-chlorophenyl)-7-(2,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccc(c(c1)n1ncc2c1ncn1c2nnc1c1ccccc1Cl)C

STK599748
Synonyms: 1-(2-methoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccccc1C(=O)CSc1nnc(n1c1ccccc1)c1ccccc1OC

STK599750
Synonyms: 1-(4-fluorophenyl)-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: Fc1ccc(cc1)N1C(=O)NC(=O)C2(C1=O)Cc1ccccc1N1C2CCC1

STK599753
Synonyms: N-(3,4-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK599754
Synonyms: 2-({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccc(cc1)C

STK599756
Synonyms: 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1Cl)Cl)C

STK599757
Synonyms: N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK599758
Synonyms: (5Z)-1-benzyl-5-[5-(1H-indol-3-yl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/1\NNC(C1)c1c[nH]c2c1cccc2)Cc1ccccc1

STK599759
Synonyms: (2Z)-N-(4-chloro-2,5-dimethoxyphenyl)-2-cyano-3-[4-(propan-2-yl)phenyl]prop-2-enamide
Smiles: N#C/C(=C/c1ccc(cc1)C(C)C)/C(=O)Nc1cc(OC)c(cc1OC)Cl

STK599760
Synonyms: 2-(4-chlorophenyl)-12-(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2C(c2ccco2)C2=C(O1)CCCC2=O

STK599761
Synonyms: 9-(3-chlorophenyl)-2,2,5-trimethyl-10-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: CN1CCN(CC1)c1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CC(C)(C)OC1)C

STK599763
Synonyms: 2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-(4-phenylbutan-2-yl)acetamide
Smiles: CC(NC(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)CCc1ccccc1

STK599764
Synonyms: 6-hydroxy-7-[2-hydroxy-3-(naphthalen-2-yloxy)propyl]-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1)COc1ccc2c(c1)cccc2

STK599765
Synonyms: 8-benzyl-N-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(NCc2ccncc2)nc2n1nnn2

STK599766
Synonyms: 5-methyl-6-(naphthalen-1-ylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Cc1nc2ncnn2c(c1Cc1cccc2c1cccc2)O

STK599768
Synonyms: 8,8-dimethyl-5-(phenylamino)-3-[(3-phenylpropyl)sulfanyl]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCCCc1ccccc1)nn2

STK599770
Synonyms: (3E)-3-{[(3-methylpyridin-2-yl)amino]methylidene}-2H-chromene-2,4(3H)-dione
Smiles: O=C1Oc2ccccc2C(=O)/C/1=C\Nc1ncccc1C

STK599771
Synonyms: (3R,3'S,3a'S,6a'R)-5'-[2-chloro-5-(trifluoromethyl)phenyl]-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cc(ccc1Cl)C(F)(F)F)C(=O)Nc1c2cccc1)C

STK599772
Synonyms: 3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
Smiles: Clc1cccc(c1)S(=O)(=O)Nc1cccc(c1)n1cnnn1

STK599774
Synonyms: 3-methyl-11-(4-methylphenyl)-2,3,4,11-tetrahydrodibenzo[b,e][1,4]thiazepin-1-ol
Smiles: CC1CC(=C2C(=Nc3ccccc3SC2c2ccc(cc2)C)C1)O

STK599778
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(4-ethoxyphenyl)quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)cccc2

STK599780
Synonyms: ethyl1-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]piperidine-2-carboxylate
Smiles: CCOC(=O)C1CCCCN1C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2

STK599781
Synonyms: 3-(2-chlorobenzyl)-5-hydroxy-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
Smiles: Clc1ccccc1CN1C(=NC(C1=O)(O)C(F)(F)F)c1ccccc1

STK599782
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK599783
Synonyms: 3-(3-chlorophenyl)-5-[(3-methoxybenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: COc1cccc(c1)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK599785
Synonyms: (4E)-4-[(benzylamino)methylidene]-2-phenylisoquinoline-1,3(2H,4H)-dione
Smiles: O=C1/C(=C/NCc2ccccc2)/c2ccccc2C(=O)N1c1ccccc1

STK599786
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1c1ccccc1F

STK599788
Synonyms: 7-(4-ethylpiperazin-1-yl)-5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
Smiles: CCN1CCN(CC1)c1c(C)c(C)nc2n1ncc2c1ccccc1

STK599789
Synonyms: N-(3-fluoro-4-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK599790
Synonyms: N-(3-chlorophenyl)-7-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4,5,6-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide
Smiles: OC1=Nc2c(C(C1)C(=O)Nc1cccc(c1)Cl)c(=O)n(c(=O)n2C)C

STK599791
Synonyms: 1-(furan-2-ylmethyl)-2-hydroxy-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: O=c1nc(O)n(c2c1C(N=C(N2)c1ccccc1)(C(F)(F)F)C(F)(F)F)Cc1ccco1

STK599792
Synonyms: N-[(2Z)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxypropanamide
Smiles: CC(C(=O)/N=c\1/[nH]nc(s1)C)Oc1ccccc1

STK599793
Synonyms: 1-(3-chloro-4-fluorophenyl)-4-(4-hydroxyphenyl)-4,7-dihydrofuro[3,4-b]pyridine-2,5(1H,3H)-dione
Smiles: Oc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(c(c1)Cl)F

STK599796
Synonyms: 4-amino-1'-butyl-2'-oxo-1',2',6,7-tetrahydrospiro[1,3-dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile
Smiles: CCCCN1c2ccccc2C2(C1=O)C=C1N(C(=C2C#N)N)CCc2c1cc1OCOc1c2

STK599797
Synonyms: 2-(4-chlorophenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline
Smiles: COc1cc2c(cc1OC)CCn1c2cc(c1)c1ccc(cc1)Cl

STK599799
Synonyms: (5Z)-3-(4-fluorophenyl)-6-hydroxy-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STK599800
Synonyms: {[(2,4-dichlorophenyl)amino][(2-methylbenzyl)sulfanyl]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1Cl)Cl)SCc1ccccc1C)C#N

STK599802
Synonyms: 2-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]propanamide
Smiles: O=C(C(C)C)Nc1cccc(c1)n1cnnn1

STK599803
Synonyms: 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1c(cccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK599804
Synonyms: (4Z)-4-[(4-ethoxyphenyl)imino]-6-(3-methyl-1-benzofuran-2-yl)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CCOc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)c1oc2c(c1C)cccc2

STK599805
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)cccc3

STK599806
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1ccc(cc1)OC

STK599808
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-[4-(benzyloxy)-3-methoxyphenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(ccc1OCc1ccccc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK599809
Synonyms: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)c(c2C)C)NCCCN1CCCC1=O

STK599810
Synonyms: 5-[(3-bromo-4,5-dimethoxybenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: COc1c(Br)cc(cc1OC)CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK599811
Synonyms: 6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)NCCCN1CCCC1=O

STK599812
Synonyms: (3S)-N-{(2S)-1-[(4-methoxyphenyl)amino]-1-oxopropan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK599813
Synonyms: N-[4-(butan-2-yl)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)COc1ccc(cc1)Cl)C

STK599814
Synonyms: 2-fluoro-N-[(2Z)-5-[(4-fluorobenzyl)sulfonyl]-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)c2ccccc2F)/s1

STK599816
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-[4-(trifluoromethoxy)phenyl]hexanamide
Smiles: O=C(Nc1ccc(cc1)OC(F)(F)F)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK599817
Synonyms: 3-(3-chlorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCCCC3)C

STK599819
Synonyms: [2-(1,3-benzothiazol-2-yl)pyridin-3-yl](4-ethylpiperazin-1-yl)methanone
Smiles: CCN1CCN(CC1)C(=O)c1cccnc1c1nc2c(s1)cccc2

STK599821
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-[(4-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

STK599823
Synonyms: 1'-(2-methylpropyl)-15,16-dihydro-2'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-2',4',6',7(1'H,3'H)-tetrone
Smiles: CC(CN1C(=O)NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2)C

STK599824
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxy-4-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1cc(ccc1O)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC

STK599825
Synonyms: 10-methyl-N-(pyridin-4-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nc(n2)C(=O)NCc1ccncc1

STK599826
Synonyms: 5-fluoro-N-{4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}-1H-indole-2-carboxamide
Smiles: Fc1ccc2c(c1)cc([nH]2)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1

STK599827
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-(pyridin-4-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccncc1)C(=O)Nc1c2cccc1)cccc3

STK599828
Synonyms: 1-(4-ethylphenyl)-N-(2-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccccc1OC)cc3c1ccc(cc1)C

STK599833
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK599835
Synonyms: (E)-{2-(3,4-diethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK599836
Synonyms: 6-methyl-2-[(4-methylquinazolin-2-yl)amino]-5-(naphthalen-1-ylmethyl)pyrimidin-4-ol
Smiles: Cc1nc(Nc2nc(C)c3c(n2)cccc3)nc(c1Cc1cccc2c1cccc2)O

STK599837
Synonyms: (3aR,6aS)-3-(4-chlorophenyl)-5-(4-methoxybenzyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)Cl

STK599838
Synonyms: 8-hydrazinyl-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NNc1nc2c(n1CC(COc1ccc(cc1)C)O)c(=O)n(c(=O)n2C)C

STK599839
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK599841
Synonyms: 1'-(2,4-dimethylphenyl)-2'-hydroxy-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-])O

STK599843
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CSc1nnc(n1N)c1cc([nH]n1)C

STK599847
Synonyms: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-4-imino-9,10-dimethoxy-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Smiles: CCOc1c(Br)cc(cc1OC)c1cc2c3cc(OC)c(cc3CCn2c(=N)c1C#N)OC

STK599849
Synonyms: 6-hydroxy-3-methyl-8-[4-(3-methylbenzyl)piperazin-1-yl]-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cccc(c1)C)C

STK599850
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK599851
Synonyms: [1-(4-chlorophenyl)cyclopentyl](6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2C)C(=O)C1(CCCC1)c1ccc(cc1)Cl

STK599855
Synonyms: 5-[(2,4-dimethoxybenzyl)amino]-2-(morpholin-4-ium-4-yl)benzoate
Smiles: COc1cc(OC)ccc1CNc1ccc(c(c1)C(=O)[O-])[NH+]1CCOCC1

STK599857
Synonyms: 3-[(4-bromobenzyl)sulfanyl]-4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCc1ccc(cc1)Br

STK599858
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-fluorophenyl)carbonyl]-3'-[(2-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK599860
Synonyms: N-[(3Z)-1-butyl-8-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-chlorobenzenesulfonamide
Smiles: CCCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)Cl)/c2c1nc1c(C)cccc1c2

STK599861
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1C)c1cccc(c1)Cl

STK599862
Synonyms: 7-chloro-1-(4-methoxyphenyl)-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2ccccn2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK599863
Synonyms: 10-methyl-2-(pyridin-4-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccncc1

STK599864
Synonyms: 2-{[3-(dimethylamino)propyl]amino}-3-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CN(CCCNc1nc2sc3c(c2c(=O)n1c1ccc(cc1)F)CCCCC3)C

STK599865
Synonyms: N-(3-bromophenyl)-2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)Br)nnc1c1cccc(c1)Cl

STK599866
Synonyms: 4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK599869
Synonyms: (2'S,3S,3'S,10b'R)-2'-(1-benzofuran-2-ylcarbonyl)-3'-[(2-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cc4c(o1)cccc4)C(=O)Nc1c2cccc1)cccc3

STK599870
Synonyms: 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1/C=N/n1c(n[nH]c1=S)c1ccc(cc1)F)Cl

STK599871
Synonyms: 1-{(2E)-2-[(2-chloro-7-methoxyquinolin-3-yl)methylidene]hydrazinyl}-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3ccc(cc3nc1Cl)OC)c1ccccc1n2

STK599872
Synonyms: N-(biphenyl-2-yl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1c1ccccc1)c1ccccc1Cl

STK599873
Synonyms: 2-(6-methoxy-1,3-benzothiazol-2-yl)-7-methyl-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)C

STK599874
Synonyms: N-{(1Z)-1-[2-(benzylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-3-chlorobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)Cl)/C(=O)NCc1ccccc1

STK599876
Synonyms: N,N-dimethyl-4-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
Smiles: CN(c1ccc(cc1)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)C

STK599877
Synonyms: N-[(2Z)-3-(4-butylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: CCCCc1ccc(cc1)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK599881
Synonyms: 8-(benzylamino)-6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(c1ccccc1)Cn1c(NCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK599882
Synonyms: 5-(biphenyl-4-yl)-7-(4-methylphenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Cc1ccc(cc1)C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1

STK599883
Synonyms: (1'S,3R,3'S,7a'S)-5''-chloro-7''-methyl-1'-{[2-(prop-2-en-1-yloxy)phenyl]carbonyl}-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(Cl)cc1C

STK599885
Synonyms: (4E)-4-({1-[(4-ethylpiperazin-1-yl)methyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCN1CCN(CC1)Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C

STK599886
Synonyms: 7'-{(E)-[1-(3-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trion
Smiles: Clc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK599887
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK599889
Synonyms: 3-chloro-N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
Smiles: Clc1cccc(c1)C(=O)NN1CCc2c1nc1cc(C)ccc1c2

STK599891
Synonyms: 3-amino-N-[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
Smiles: Cc1cs/c(=N\C(=O)c2sc3c(c2N)c(c2c(n3)CCCC2)C(F)(F)F)/[nH]1

STK599892
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

STK599893
Synonyms: 5,9-dimethyl-2-(pyridin-4-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1ccncc1

STK599894
Synonyms: 3-(3,5-dimethylphenyl)-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: CCc1nc2c(c(=O)n1c1cc(C)cc(c1)C)c(=O)c1c(n2C)cccc1

STK599896
Synonyms: (4E)-4-({[3-(diethylamino)propyl]amino}methylidene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: CCN(CCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1)OC)CC

STK599897
Synonyms: 6-(2-chloro-4-fluorobenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: Fc1ccc(c(c1)Cl)Cn1c2ccccc2c2c1c(=O)n1CCSc1n2

STK599899
Synonyms: N-(3-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
Smiles: COc1cccc(c1)NC(=O)C1=NN(C(=O)CC1)c1ccccc1

STK599900
Synonyms: 4-{[(E)-(5-bromo-2-fluorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cc(Br)ccc1F

STK599901
Synonyms: 7-(2-methylphenyl)-3-(pyridin-3-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Cc1ccccc1n1ncc2c1ncn1c2nnc1c1cccnc1

STK599902
Synonyms: 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)C1CC(C)(C)NC(C1)(C)C

STK599903
Synonyms: 5-{4-[(4-chlorobenzyl)oxy]phenyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCc1ccc(cc1)Cl)OC

STK599904
Synonyms: (1S)-1-{5-[(3-chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Smiles: Clc1cccc(c1)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STK599905
Synonyms: 2-{5-[(4-bromobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccccn1

STK599906
Synonyms: 4-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-5-(2-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK599907
Synonyms: 4-{[(7-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoicacid
Smiles: O=C(C1OC(=O)c2c(C1)ccc(c2)C)Nc1ccc(cc1)C(=O)O

STK599908
Synonyms: 5-[1-acetyl-5-(3-hydroxy-4-methoxyphenyl)pyrazolidin-3-ylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1O)C1CC(=C2C(=O)N(C)C(=O)N(C2=O)C)NN1C(=O)C

STK599909
Synonyms: 3-[(5-chloropyridin-2-yl)amino]-2-benzofuran-1(3H)-one
Smiles: Clc1ccc(nc1)NC1OC(=O)c2c1cccc2

STK599914
Synonyms: 1,3-dimethyl-10-(4-methylphenyl)-5-phenyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Cc1ccc(cc1)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK599915
Synonyms: 4-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]benzoicacid
Smiles: Clc1ccccc1/C=N/Nc1ccc(cc1)C(=O)O

STK599916
Synonyms: 2-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK599918
Synonyms: 4-{[({5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK599919
Synonyms: dimethyl5-({(Z)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate
Smiles: N#C/C(=C/Nc1sc(c(c1C(=O)OC)C)C(=O)OC)/c1scc(n1)c1cccs1

STK599922
Synonyms: 2-ethyl-1-{(2E)-2-[(2-hydroxy-8-methylquinolin-3-yl)methylidene]hydrazinyl}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3cccc(c3nc1O)C)c1ccccc1n2

STK599923
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,4-dimethoxyphenyl)carbonyl]-2'-[(4-propoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2OC)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK599926
Synonyms: (2'S,3S,3'S,10b'R)-2',3'-bis[(4-methylphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Cc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3

STK599927
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(3,4-dichlorophenyl)-7-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl

STK599929
Synonyms: 3-(3-chlorophenyl)-5-[(3-methoxybenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: COc1cccc(c1)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK599933
Synonyms: (1E)-N-{[11-(2-methoxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}-1-phenylethanimine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)CO/N=C(/c1ccccc1)\C)c1ccccc1

STK599935
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1ccccc1F

STK599938
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK599939
Synonyms: N-(2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nnc1c1ccccn1

STK599941
Synonyms: (4E)-4-{[(2,5-dimethoxyphenyl)amino]methylidene}-2-(4-methylphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1N/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1)C)OC

STK599942
Synonyms: N-[2-(4-chlorophenyl)-6-methyl-5-oxo-4-phenyl-2,5-dihydropyridazin-3-yl]benzamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1)c1ccccc1

STK599945
Synonyms: 3-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-[(2,6-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1c(Cl)cccc1Cl

STK599946
Synonyms: 1-{(2E)-2-[(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)methylidene]hydrazinyl}-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3cc4OCOc4cc3nc1Cl)c1ccccc1n2

STK599947
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK599949
Synonyms: 1-amino-2-[(2-hydroxyethyl)(methyl)amino]-4-[(3-methoxyphenyl)amino]anthracene-9,10-dione
Smiles: OCCN(c1cc(Nc2cccc(c2)OC)c2c(c1N)C(=O)c1c(C2=O)cccc1)C

STK599951
Synonyms: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C

STK599954
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-fluorophenyl)carbonyl]-2'-(pyridin-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccn1)C(=O)Nc1c2cccc1)cccc3

STK599956
Synonyms: 6,8-dibromo-2,4-dihydroxy-N-(tetrahydrofuran-2-ylmethyl)quinoline-3-carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCC1CCCO1

STK599957
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3,4-dichlorophenyl)methylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(c(c1)Cl)Cl

STK599962
Synonyms: [2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]aceticacid
Smiles: OC(=O)CC1=C(Nc2ccccc2)C(=O)N(C1c1ccc(cc1)Br)c1ccccc1

STK599963
Synonyms: 4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

STK599965
Synonyms: (4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)F)N(C(=O)C1=O)c1ccc(cc1)OC)/O

STK599966
Synonyms: 6-hydroxy-7-(2-methoxyethyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCSc1nc2c(n1CCOC)c(O)nc(=O)n2C

STK599969
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(2-methylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

STK599970
Synonyms: 6-hydroxy-8-{(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(N/N=C(/c2ccc3c(c2O)cccc3)\C)nc2c1c(O)nc(=O)n2C)C

STK599971
Synonyms: 5-(2-bromophenyl)-4-{[(E)-pyridin-3-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccnc1

STK599973
Synonyms: 3-chloro-N-(2-methylpropyl)-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CC(CN(C(=O)c1cccc(c1)Cl)Cc1cc2ccccc2[nH]c1=O)C

STK599975
Synonyms: N-(2,5-dimethylphenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccc(cc1)C

STK599977
Synonyms: N-[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C)NC1CCCCCC1

STK599980
Synonyms: 2-[bis(2-hydroxypropyl)amino]-3-(3-chlorophenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC(CN(c1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C)CC(O)C)O

STK599981
Synonyms: (4E)-4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1[N+](=O)[O-]

STK599982
Synonyms: N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
Smiles: CCN(c1ccc(cc1)NC(=O)c1cc2c([nH]1)cccc2OC)CC

STK599984
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-6-methyl-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C

STK599985
Synonyms: 4-amino-5'-methyl-2'-oxo-1',2',6,7-tetrahydrospiro[1,3-dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-2,3'-indole]-3-carbonitrile
Smiles: N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc(C)cc1)cc1c(c3)OCO1

STK599986
Synonyms: 1-phenyl-2-(2-phenylethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: O=C1N(CCc2ccccc2)C(c2c1oc1ccccc1c2=O)c1ccccc1

STK599987
Synonyms: 2-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccc(cc1)OC

STK599989
Synonyms: 8-(4-methoxyphenyl)-1-methyl-3-(3-methylbenzyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)C

STK599990
Synonyms: (1'R,2'R)-7'-fluoro-2'-(furan-2-yl)-1'-[(4-methylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Cc1ccc(cc1)C(=O)[C@@H]1N2c3ccc(cc3C=CC2[C@@]2([C@H]1c1ccco1)C(=O)c1c(C2=O)cccc1)F

STK599991
Synonyms: N-(4-chlorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)Cl

STK599992
Synonyms: N-[2-(4-chlorophenyl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-phenylpropanamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)c1ccc(cc1)Cl)CCc1ccccc1

STK599993
Synonyms: 2-hydroxy-7-phenyl-1-(pyridin-3-ylmethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Oc1nc(=O)c2c(n1Cc1cccnc1)NC(=NC2(C(F)(F)F)C(F)(F)F)c1ccccc1

STK599994
Synonyms: 3-[(2S)-1-(4-benzylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-1,2,3-benzotriazin-4(3H)-one
Smiles: O=c1n(nnc2c1cccc2)[C@H](C(=O)N1CCC(CC1)Cc1ccccc1)C(C)C

STK599995
Synonyms: 8-[(2Z)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC1=NC(=O)/C(=N\Nc2nc3c(n2CC(COc2ccccc2)O)c(=O)n(c(=O)n3C)C)/C(=N1)O

STK599996
Synonyms: 3-[(3a'S,6a'R)-7-chloro-5'-cyclopentyl-5-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(C)cc1Cl

STK599997
Synonyms: 2-{[4-(4-chlorophenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK599998
Synonyms: tert-butyl(3S)-3-{[2-(cyclopentylamino)-2-oxoethyl]carbamoyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
Smiles: O=C(NC1CCCC1)CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C

STK599999
Synonyms: 3-(2,6-dichlorobenzyl)-9-(furan-2-ylmethyl)-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: Clc1cccc(c1Cn1c(=O)c2n3CCCN(c3nc2n(c1=O)C)Cc1ccco1)Cl

STK600001
Synonyms: 2-{[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1c1ccccc1Cl

STK600005
Synonyms: 1,6,7-trimethyl-8-phenyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2c(c(n1c1ccccc1)C)C

STK600006
Synonyms: N-(1-methyl-4-oxo-3-phenyl-1,4-dihydroquinolin-2-yl)hexanamide
Smiles: CCCCCC(=O)Nc1n(C)c2ccccc2c(=O)c1c1ccccc1

STK600007
Synonyms: 4-{(2E)-2-[(2-chloro-7-methoxyquinolin-3-yl)methylidene]hydrazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/Nc1ncnc2c1c1CCCCc1s2)Cl

STK600009
Synonyms: 1-[11-(2,5-dimethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
Smiles: COc1ccc(c(c1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)(C)C)OC

STK600011
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccccc1

STK600012
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3-methylbutyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-3-nitrobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1cccc(c1)[N+](=O)[O-])/C(=O)NCCC(C)C

STK600014
Synonyms: 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK600015
Synonyms: 3-(4-chlorophenyl)-5-[(2-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1ccc(cc1)Cl)SCc1ccccc1F

STK600016
Synonyms: 3-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-6-methylheptan-1-amine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCc1ccco1)C

STK600017
Synonyms: 5-(4-ethoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(F)(F)F

STK600019
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1c1ccccc1C

STK600020
Synonyms: (4Z)-4-(3,4-dimethoxybenzylidene)-2-phenyl-4H-imidazol-5-ol
Smiles: COc1cc(ccc1OC)/C=C/1\N=C(N=C1O)c1ccccc1

STK600022
Synonyms: 4-{5-[(E)-(2-{[(1S,2S)-2-phenylcyclopropyl]carbonyl}hydrazinylidene)methyl]furan-2-yl}benzenesulfonamide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1ccc(o1)c1ccc(cc1)S(=O)(=O)N

STK600024
Synonyms: (2'S,3R,7a'S)-N-(2,5-dimethoxyphenyl)-5-methyl-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carboxamide
Smiles: COc1ccc(cc1NC(=O)[C@H]1C[C@H]2N([C@@]31C(=O)Nc1c3cc(C)cc1)CCC2)OC

STK600027
Synonyms: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: COc1cccc(c1)C1/C(=C(/c2ccccc2)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

STK600030
Synonyms: 5-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(cc1)OCc1ccccc1Cl)N/N=C/c1ccc(cc1)N(C)C

STK600032
Synonyms: N-{(1Z)-1-[2-(butylamino)-1-cyano-2-oxoethylidene]-1H-isoindol-3-yl}-4-fluorobenzamide
Smiles: CCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)F)/C#N

STK600033
Synonyms: 4-({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)Cl

STK600034
Synonyms: (4E)-2-(3-methoxyphenyl)-4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1)OC

STK600037
Synonyms: 1,6,7-trimethyl-8-(3-methylphenyl)-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cccc(c1)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCN1CCCCC1

STK600038
Synonyms: 2-(8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Smiles: NC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK600041
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)cc(c2)C)nnc1COc1ccc(cc1)Cl

STK600042
Synonyms: (2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-olate
Smiles: COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\C=C\c1ccccc1)/C2=O)CCOC

STK600044
Synonyms: (3a'S,6a'R)-5-bromo-5'-(2-methoxyethyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cc(Br)cc2

STK600045
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)nnc1COc1ccc(cc1)Cl

STK600046
Synonyms: N-[2-hydroxy-1-(4-methoxybenzyl)-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)CCC(=O)NC1(N=C(N(C1=O)Cc1ccc(cc1)OC)O)C(F)(F)F

STK600049
Synonyms: 3-amino-6-(thiophen-2-yl)-N-[4-(trifluoromethyl)benzyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: O=C(c1sc2c(c1N)ccc(n2)c1cccs1)NCc1ccc(cc1)C(F)(F)F

STK600051
Synonyms: N-[3-(2-fluorophenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]pentanamide
Smiles: CCCCC(=O)Nc1n(C)c2ccccc2c(=O)c1c1ccccc1F

STK600053
Synonyms: 2-[4-(propan-2-yloxy)phenyl]-4-[3-(propan-2-yl)phenoxy]quinazoline
Smiles: CC(Oc1ccc(cc1)c1nc(Oc2cccc(c2)C(C)C)c2c(n1)cccc2)C

STK600055
Synonyms: (3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5'-(4-methoxyphenyl)-5,7-dimethyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2C

STK600056
Synonyms: 2-[({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzimidazole
Smiles: Cc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCc1nc2c([nH]1)cccc2

STK600058
Synonyms: N-{[3-(propan-2-yloxy)propyl]carbamoyl}-L-alanine
Smiles: C[C@@H](C(=O)O)NC(=O)NCCCOC(C)C

STK600059
Synonyms: 4-(furan-2-ylmethyl)-3-[(4-methylbenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK600060
Synonyms: (6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3,5-dinitrophenyl)methanone
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK600062
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)OC)nnc1COc1ccccc1

STK600063
Synonyms: 3-(3,4-dimethoxyphenyl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: COc1cc(ccc1OC)C1=NOC2(C1)CC(=O)N(C2=O)c1c(C)cccc1C

STK600065
Synonyms: (1'R,2'S)-1'-(2,2-dimethylpropanoyl)-2'-(2-fluorophenyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Cc1ccc2c(c1)C=CC1N2[C@@H](C(=O)C(C)(C)C)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccccc1F

STK600068
Synonyms: (4E)-2-(3-bromophenyl)-4-[(methylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: CN/C=C\1/C(=O)N(c2cccc(c2)Br)C(=O)c2c1cccc2

STK600069
Synonyms: [4-(2,3-dimethylphenyl)piperazin-1-yl](5-methoxy-3-methyl-1H-indol-2-yl)methanone
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCN(CC1)c1cccc(c1C)C

STK600071
Synonyms: 2-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccc(cc1)F)c(=O)c1c(o2)cccc1

STK600074
Synonyms: (3Z)-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1,1-diphenylpropan-2-one
Smiles: COc1cc2/C(=C/C(=O)C(c3ccccc3)c3ccccc3)/NCCc2cc1OC

STK600075
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2,4-dimethoxyphenyl)carbonyl]-3'-(thiophen-2-ylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@@H]1[C@@H](C(=O)c2cccs2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK600076
Synonyms: 9'-fluoro-2,6-dihydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-4-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cccc(c1N1C2CCC1)F

STK600078
Synonyms: (3R,3'S,3a'S,6a'R)-5'-(2,4-dichlorophenyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1Cl)Cl)C(=O)Nc1c2cccc1)C

STK600079
Synonyms: 2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl3-methyl-1-benzofuran-2-carboxylate
Smiles: CCOc1cc(ccc1OC(=O)c1oc2c(c1C)cccc2)/C=C\1/SC(=S)N(C1=O)C

STK600080
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK600081
Synonyms: (5Z)-2-(4-benzylpiperazin-1-yl)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1

STK600082
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-ethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK600083
Synonyms: (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
Smiles: COc1cc2c(cc1OC)CCN(C2=C)C(=O)c1ccccc1F

STK600085
Synonyms: 2-[(5,6-dichloropyridin-3-yl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cnc(c(c1)Cl)Cl

STK600087
Synonyms: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCn1c(CN2CCN(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK600088
Synonyms: (3a'S,6a'R)-5-chloro-5'-(3-methoxypropyl)-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Cl)cc2

STK600089
Synonyms: N-benzyl-2-(10-fluoro-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: O=C(Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F)NCc1ccccc1

STK600090
Synonyms: N-(2,6-dibromo-4-methylphenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(Br)cc(cc1Br)C)CSc1nnc(n1C)c1cccc(c1)C

STK600091
Synonyms: 6-chloro-4-ethyl-9-[2-(morpholin-4-yl)ethyl]-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)CCN1CCOCC1

STK600093
Synonyms: 2-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1ccc(c(c1)F)C

STK600095
Synonyms: 5-(3-methoxyphenyl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1OC)OC)OC

STK600096
Synonyms: 1-[(E)-{[(2Z)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}{[2-(1H-indol-3-yl)ethyl]amino}methylidene]-3-(4-fluorophenyl)thiourea
Smiles: S=C(/N=C(/N=c/1\nc(C)cc([nH]1)C)\NCCc1c[nH]c2c1cccc2)Nc1ccc(cc1)F

STK600097
Synonyms: N-benzyl-2-(5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCSc1n2)NCc1ccccc1

STK600098
Synonyms: (2Z)-2-(5-bromo-2-methoxybenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)ccc1OC)/C2=O

STK600099
Synonyms: (5E)-1-(3-methoxyphenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1cccc(c1)N1C(=NC(=O)/C(=C\NCCN2CCNCC2)/C1=O)S

STK600100
Synonyms: N-(2-methoxyethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]thiophene-2-carboxamide
Smiles: COCCN(C(=O)c1cccs1)Cc1cc2cccc(c2[nH]c1=O)C

STK600101
Synonyms: N-(1-benzylpiperidin-4-yl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NC1CCN(CC1)Cc1ccccc1

STK600102
Synonyms: 3-{[5-chloro-6-oxo-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,6-dihydropyridazin-4-yl]amino}benzoicacid
Smiles: OC(=O)c1cccc(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C2)CC(C1)C3

STK600104
Synonyms: N-[(3Z)-1-ethyl-7-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-nitrobenzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1cc(C)ccc1c2

STK600106
Synonyms: dicyclohexyl[hydroxy(pyridin-3-yl)methyl]phosphonate
Smiles: OC(P(=O)(OC1CCCCC1)OC1CCCCC1)c1cccnc1

STK600107
Synonyms: (3a'S,6a'R)-3'-benzyl-5'-(butan-2-yl)-7-chloro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccccc2)C(=O)Nc2c1cccc2Cl)C

STK600108
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(OC)ccc1CC(=O)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK600109
Synonyms: 1-benzyl2-(6-chloro-2-oxo-4-propyl-2H-chromen-7-yl)(2R)-pyrrolidine-1,2-dicarboxylate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

STK600110
Synonyms: 3-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]amino}propan-1-ol
Smiles: OCCCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C

STK600112
Synonyms: 1-[8-methyl-2-(phenoxymethyl)-10-phenyl-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
Smiles: CC(=O)C1=C(C)Oc2c(C1c1ccccc1)c1nc(nn1cn2)COc1ccccc1

STK600113
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK600114
Synonyms: 2-{[4-(4-chlorophenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1)CC

STK600115
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-7-fluoro-1-phenyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccccc1)c1nc2c(s1)cc(cc2C)C