FULL DB

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

STK525467
Synonyms: {2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}(4-methylphenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)/C=C/N(C)C)C(=O)c1ccc(cc1)C

STK525469
Synonyms: 2-{[5-(butan-2-yl)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Smiles: CCC(c1c(O)nc([nH]c1=O)SCC(=O)Nc1ccccc1OC)C

STK525474
Synonyms: 6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)c(C)nn2c1ccc(cc1)C

STK832960
Synonyms: 7-methyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
Smiles: Cc1ccc2c(c1)c1CCc3c(c1[nH]2)n[nH]c3

STK525477
Synonyms: naphthalene-1,8-dicarboxylicacid
Smiles: OC(=O)c1cccc2c1c(ccc2)C(=O)O

STK525481
Synonyms: (2Z,4E)-4-[(5-bromofuran-2-yl)methylidene]-3-methylpent-2-enedioicacid
Smiles: OC(=O)/C=C(\C(=C/c1ccc(o1)Br)\C(=O)O)/C

STK832961
Synonyms: 2-(benzylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: O=c1n(C2CCCC2)c(SCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

STK832962
Synonyms: (5-methoxy-2-methyl-1-benzofuran-3-yl)(4-methylphenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)C)C(=O)c1ccc(cc1)C

STK525484
Synonyms: 6-(benzylsulfanyl)-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)nc(c2c1CC(C)(C)SC2)N1CCOCC1

STK525485
Synonyms: methyl{[4-(cyanoamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl}acetate
Smiles: N#CNc1nc(SCC(=O)OC)nc(n1)NC(C)C

STK525486
Synonyms: 6-(butylsulfanyl)-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(SC2)(C)C

STK525487
Synonyms: 3-amino-9-hydroxy-1-(thiophen-3-yl)-1H-benzo[f]chromene-2-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cscc1)c1cc(O)ccc1cc2

STK525501
Synonyms: [(2E)-2-{(2Z)-[1-(4-ethoxyphenyl)ethylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl]aceticacid
Smiles: CCOc1ccc(cc1)/C(=N\N=C/1\SC(C(=O)N1)CC(=O)O)/C

STK525503
Synonyms: 3-[4-(acetylamino)phenyl]-N-(furan-2-ylmethyl)oxirane-2,2-dicarboxamide
Smiles: CC(=O)Nc1ccc(cc1)C1OC1(C(=O)N)C(=O)NCc1ccco1

STK525506
Synonyms: [(3E)-3-(ethoxymethylidene)-1,3-dihydro-2H-indol-2-ylidene]propanedinitrile
Smiles: CCO/C=c\1/c(=C(C#N)C#N)[nH]c2c1cccc2

STK525507
Synonyms: (2E)-2-(furan-2-ylmethylidene)-N-nitrohydrazinecarboximidamide
Smiles: N=C(N[N+](=O)[O-])N/N=C/c1ccco1

STK525508
Synonyms: N-(phenylcarbamothioyl)glutamicacid
Smiles: S=C(Nc1ccccc1)NC(C(=O)O)CCC(=O)O

STK832973
Synonyms: 6,9-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile
Smiles: N#CC1CCCc2c1n(C)c1c2cc(cc1)C

STK832974
Synonyms: 1-(3-fluorophenyl)-4-(morpholin-4-yl)-1-phenylbut-2-yn-1-ol
Smiles: Fc1cccc(c1)C(c1ccccc1)(C#CCN1CCOCC1)O

STK525512
Synonyms: ethyl4-[(1R,2S)-2-phenylcyclopropyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)[C@@H]1C[C@@H]1c1ccccc1

STK525515
Synonyms: 2-(4-methoxyphenyl)-2H-benzotriazole
Smiles: COc1ccc(cc1)n1nc2c(n1)cccc2

STK525516
Synonyms: 2-chlorocyclopentyl2,3,5,6-tetramethylphenylsulfide
Smiles: ClC1CCCC1Sc1c(C)c(C)cc(c1C)C

STK525518
Synonyms: (2E,4E)-4-(4-fluorobenzylidene)-3-methylpent-2-enedioicacid
Smiles: OC(=O)/C=C(/C(=C\c1ccc(cc1)F)/C(=O)O)\C

STK525519
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK525524
Synonyms: [(dodecylimino)dimethanediyl]bis(phosphonicacid)
Smiles: CCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O

STK525527
Synonyms: 3,3-dimethyl-6-oxo-8-phenyl-3,4,6,7-tetrahydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(=O)[nH]c(c2c1CC(C)(C)SC2)c1ccccc1

STK525529
Synonyms: (5Z)-5-(hydroxyimino)-3,4,4-trimethyl-1-phenylimidazolidin-2-one
Smiles: O/N=C/1\N(c2ccccc2)C(=O)N(C1(C)C)C

STK525530
Synonyms: 3,5-di-tert-butyl-4-hydroxybenzylcarbamimidothioate
Smiles: NC(=N)SCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK832986
Synonyms: (3-amino-4-chlorophenyl)(thiophen-2-yl)methanone
Smiles: Clc1ccc(cc1N)C(=O)c1cccs1

STK525534
Synonyms: [2-(benzyloxy)-5-fluorophenyl][3-(2,3-dihydro-1,4-benzodioxin-6-yl)oxiran-2-yl]methanone
Smiles: Fc1ccc(c(c1)C(=O)C1OC1c1ccc2c(c1)OCCO2)OCc1ccccc1

STK525535
Synonyms: (2E)-4-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)amino]-4-oxobut-2-enoicacid
Smiles: O=C(Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1)/C=C/C(=O)O

STK525538
Synonyms: 3-(benzylamino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CCCC2)CC

STK525540
Synonyms: (2E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2ccc(c(c2)OC)OC)ccc1OC(F)F

STK525542
Synonyms: 2-phenyl-1-(4-propoxyphenyl)-3-(pyrrolidin-1-yl)propan-1-ol
Smiles: CCCOc1ccc(cc1)C(C(c1ccccc1)CN1CCCC1)O

STK525543
Synonyms: bis(3-methylphenyl)(3-chloro-4-methoxyphenyl)phosphoramidate
Smiles: COc1ccc(cc1Cl)NP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C

STK525546
Synonyms: butyl1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Smiles: CCCCOC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK525547
Synonyms: 7-{2,3-bis[(3-fluorobenzyl)oxy]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1cccc(c1)COC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)COCc1cccc(c1)F

STK832989
Synonyms: 4-phenyl-1H-imidazole-1,2-diamine
Smiles: Nn1cc(nc1N)c1ccccc1

STK525554
Synonyms: 4,8-bis{[(4-methylphenyl)sulfonyl]methyl}-6-nitro-1,4,8-triazabicyclo[4.3.1]decane
Smiles: Cc1ccc(cc1)S(=O)(=O)CN1CCN2CC(C1)(CN(C2)CS(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]

STK525556
Synonyms: quinolin-7-ol
Smiles: Oc1ccc2c(c1)nccc2

STK832993
Synonyms: 3-(2-chlorobenzyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizine-10-carbonitrile
Smiles: N#Cc1c2CCCCn2c2c1ncn(c2=O)Cc1ccccc1Cl

STK525559
Synonyms: 1-(3-chloro-4-methoxybenzyl)guanidine
Smiles: COc1ccc(cc1Cl)CNC(=N)N

STK525561
Synonyms: 2-(4-benzylphenyl)-3-[(E)-(4-chlorophenyl)diazenyl]-1H-indole
Smiles: Clc1ccc(cc1)/N=N/c1c([nH]c2c1cccc2)c1ccc(cc1)Cc1ccccc1

STK525564
Synonyms: 1-[3-(diphenylamino)-2-hydroxypropyl]guanidine
Smiles: OC(CN(c1ccccc1)c1ccccc1)CNC(=N)N

STK525565
Synonyms: 5-ethyl-2,2-dimethyl-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCC1CCCO1

STK525569
Synonyms: 2-phenyl-N'-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetohydrazide
Smiles: O=C(Cc1ccccc1)NNc1ncnc2c1c1CCCCc1s2

STK525572
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2N1CCNCC1

STK833001
Synonyms: ethyl2-[(3-chloropropanoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: ClCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

STK525578
Synonyms: 2-[(2-methylpropyl)sulfanyl]pyrimidinediium-4,6-diolate
Smiles: CC(CSc1[nH+]c([O-])cc([nH+]1)[O-])C

STK525580
Synonyms: 3-(tert-butylsulfanyl)thiophene-2-carboxylicacid
Smiles: OC(=O)c1sccc1SC(C)(C)C

STK525581
Synonyms: diphenyl(propan-2-yloxy)aceticacid
Smiles: CC(OC(c1ccccc1)(c1ccccc1)C(=O)O)C

STK525583
Synonyms: 1-(4-methoxybenzyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(cc1)CN1C(=O)CC(=O)NC1=O

STK525586
Synonyms: (2-methyl-3-oxobutan-2-yl)propanedioicacid
Smiles: OC(=O)C(C(C(=O)C)(C)C)C(=O)O

STK525589
Synonyms: 3-(2-phenylethyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: O=c1n(CCc2ccccc2)c(SCCc2ccccc2)nc2c1C1(CCCC1)Cc1c2cccc1

STK525591
Synonyms: 1-methylpiperidine-3-carbohydrazide
Smiles: NNC(=O)C1CCCN(C1)C

STK525592
Synonyms: 7,7-dimethyl-6,9-dihydro-7H-pyrano[3',4':4,5]furo[3,2-d]pyrimidine-4(1H)-thione
Smiles: S=c1nc[nH]c2c1oc1c2COC(C1)(C)C

STK525597
Synonyms: 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-pyridin-4-ylmethylidene]propanehydrazide
Smiles: O=C(CCn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccncc1

STK525598
Synonyms: 4-({3-[(5E)-5-(3-{3-[(4-carboxyphenyl)amino]-3-oxopropyl}-2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-4-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCC(=O)Nc2ccc(cc2)C(=O)O)/C1=S

STK833010
Synonyms: N-[4-(piperidin-1-yl)phenyl]benzo[g]quinolin-4-amine
Smiles: C1CCN(CC1)c1ccc(cc1)Nc1ccnc2c1cc1ccccc1c2

STK833014
Synonyms: 1,1'-(3,7-diacetyl-1,3,5,7-tetrazocane-1,5-diyl)bis(3-chloropropan-1-one)
Smiles: ClCCC(=O)N1CN(CN(CN(C1)C(=O)C)C(=O)CCCl)C(=O)C

STK525608
Synonyms: dimethyl2-bromo-5-nitrobenzene-1,4-dicarboxylate
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1Br)C(=O)OC

STK833018
Synonyms: 7-cyclohexyl-1,4-dihydrocyclopenta[b]indol-3(2H)-one
Smiles: O=C1CCc2c1[nH]c1c2cc(cc1)C1CCCCC1

STK525614
Synonyms: ethyl2-(4-aminophenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)N)O

STK525615
Synonyms: N-({4-[(3-methylbutanoyl)amino]phenyl}sulfonyl)pentanamide
Smiles: CCCCC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)CC(C)C

STK525617
Synonyms: 4,4',4''-[(2-hydroxybenzene-1,3,5-triyl)trimethanediyl]tris(2,6-di-tert-butylphenol)
Smiles: Oc1c(cc(cc1Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK833025
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCCC3

STK525624
Synonyms: 5-ethoxy-1,2-dimethyl-1H-benzimidazole
Smiles: CCOc1ccc2c(c1)nc(n2C)C

STK833028
Synonyms: 5-acetyl-2-methoxybenzylcarbamimidothioate
Smiles: COc1ccc(cc1CSC(=N)N)C(=O)C

STK525631
Synonyms: 10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nnn2

STK525633
Synonyms: 3-chloro-N-[5-(chloroacetyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]propanamide
Smiles: ClCCC(=O)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2

STK525634
Synonyms: 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol
Smiles: COc1ccc(cc1)/C=N/C(C(c1ccc(cc1)[N+](=O)[O-])O)CO

STK525636
Synonyms: 2-amino-4-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)pyrimidine-5-carbonitrile
Smiles: COc1cc(ccc1OC)C(=O)CSc1nc(N)nc(c1C#N)SC

STK525637
Synonyms: 4'-{[(E)-phenylmethylidene]amino}-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carbonitrile
Smiles: N#CC1C(/N=C/c2ccccc2)c2ccccc2CC21CCCCC2

STK833034
Synonyms: cyclohexyl3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate
Smiles: O=C(OC1CCCCC1)CCn1[nH]c(=O)c2c(c1=O)cccc2

STK525654
Synonyms: 2-({3-[(5E)-5-(3-{3-[(2-carboxyphenyl)amino]-3-oxopropyl}-2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-4-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)CCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCC(=O)Nc2ccccc2C(=O)O)/C1=S

STK525657
Synonyms: (2,2-dimethyltetrahydro-4H-thiopyran-4-ylidene)propanedinitrile
Smiles: N#CC(=C1CCSC(C1)(C)C)C#N

STK525658
Synonyms: (2Z)-2-cyano-3-(dimethylamino)-N-[2-(morpholin-4-yl)ethyl]but-2-enamide
Smiles: CN(/C(=C(\C(=O)NCCN1CCOCC1)/C#N)/C)C

STK833038
Synonyms: 2-phenylpyridin-3-ol
Smiles: Oc1cccnc1c1ccccc1

STK525664
Synonyms: 3-(diphenylmethoxy)-N,N-diethylbutan-1-amine
Smiles: CCN(CCC(OC(c1ccccc1)c1ccccc1)C)CC

STK525668
Synonyms: 1-(ethylsulfanyl)-4-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCCC3

STK525674
Synonyms: 1-[(5-bromopyridin-3-yl)carbonyl]proline
Smiles: OC(=O)C1CCCN1C(=O)c1cncc(c1)Br

STK525675
Synonyms: 2-methyl-1,4-bis(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)butane-1,4-dione
Smiles: CC(C(=O)C1ON=C(C1)c1ccccc1)CC(=O)C1ON=C(C1)c1ccccc1

STK525678
Synonyms: 2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethanamine
Smiles: NCCC1(CC(C)N(CC1C)C)c1ccccc1

STK833044
Synonyms: 3,3-dimethyl-8-phenyl-6-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carboxamide
Smiles: NC(=O)c1c(nc(c2c1CC(C)(C)OC2)c1ccccc1)N1CCCC1

STK525683
Synonyms: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

STK833045
Synonyms: ethyl2,5-dimethyl-3-{2-[(4-methylphenyl)amino]-2-oxoethyl}-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
Smiles: CCOC(=O)c1sc(c2c1nc(C)n(c2=O)CC(=O)Nc1ccc(cc1)C)C

STK833046
Synonyms: 2,5-dimethyl-2,5-bis(prop-2-yn-1-yloxy)-1,4-dioxane
Smiles: C#CCOC1(C)OCC(OC1)(C)OCC#C

STK525686
Synonyms: ethyl5-methyl-3-{[N-(1,3-thiazol-2-yl)glycyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nccs1)cc(cc2)C

STK833047
Synonyms: 6-amino-3-methyl-1-(4-methylphenyl)-4-(pyridin-4-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccncc1)c(C)nn2c1ccc(cc1)C

STK833050
Synonyms: (1E)-N-hydroxy-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-imine
Smiles: O/N=C/1\CCCc2c1[nH]c1c2cc(cc1)[N+](=O)[O-]

STK525694
Synonyms: (2E)-N-[4-bromo-2-(phenylcarbonyl)phenyl]-2-cyano-3-phenylprop-2-enamide
Smiles: N#C/C(=C\c1ccccc1)/C(=O)Nc1ccc(cc1C(=O)c1ccccc1)Br

STK525696
Synonyms: 3-benzyl-7-methyl-2-(propylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)C

STK833055
Synonyms: ethyl6-{[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]amino}-6-oxohexanoate
Smiles: CCOC(=O)CCCCC(=O)NC(C(=O)NC)CO

STK833057
Synonyms: (2E)-3-(2-methyl-1H-indol-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one
Smiles: O=C(c1ccncc1)/C=C/c1c(C)[nH]c2c1cccc2

STK525699
Synonyms: 8-{[2-(2-hydroxyethoxy)ethyl]amino}-7-{[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCOCCNc1nc2c(n1CC1ON=C(C1)c1ccccc1OC)c(=O)n(c(=O)n2C)C

STK525702
Synonyms: 8-ethyl-3,3-dimethyl-6-(2-oxo-2-phenylethoxy)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(OCC(=O)c2ccccc2)nc(c2c1CC(C)(C)OC2)CC

STK833061
Synonyms: 2,5-dimethyl-4-oxo-3-{2-oxo-2-[(pyridin-3-ylmethyl)amino]ethyl}-N-(pyridin-3-ylmethyl)-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxamide
Smiles: O=C(Cn1c(C)nc2c(c1=O)c(C)sc2C(=O)NCc1cccnc1)NCc1cccnc1

STK525703
Synonyms: 2-{[bis(2-hydroxyethyl)amino]methyl}-4,6-di-tert-butylphenol
Smiles: OCCN(Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C)CCO

STK833063
Synonyms: (5-bromopyridin-3-yl)(phenyl)methanone
Smiles: Brc1cncc(c1)C(=O)c1ccccc1

STK525709
Synonyms: N-{(E)-[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(1H-indol-3-yl)ethanamine
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=N/CCc1c[nH]c2c1cccc2

STK525710
Synonyms: 8-butyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCc1nc(N2CCN(CC2)C(=O)c2ccco2)c(c2c1CSC(C2)(C)C)C#N

STK525711
Synonyms: 2-[1-(2-ethoxy-1,1,2,3,3,3-hexafluoropropoxy)-1,3,3,3-tetrafluoropropyl]-4,5-dihydro-1H-imidazole
Smiles: CCOC(C(OC(C1=NCCN1)(CC(F)(F)F)F)(F)F)(C(F)(F)F)F

STK833065
Synonyms: (3Z)-3-{[(4-hydroxyphenyl)amino]methylidene}pyrrolidine-2,4-dione
Smiles: Oc1ccc(cc1)N/C=C\1/C(=O)CNC1=O

STK525715
Synonyms: dipropan-2-yl[5-(bromomethyl)-1,2-oxazol-3-yl]phosphonate
Smiles: BrCc1onc(c1)P(=O)(OC(C)C)OC(C)C

STK525716
Synonyms: ethyl5,5-dimethyl-2-[(propylcarbamothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCCNC(=S)Nc1sc2c(c1C(=O)OCC)CC(OC2)(C)C

STK525722
Synonyms: N-(1,3-benzothiazol-2-yl)-2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc2c(c1c1cccs1)CCCC2

STK525723
Synonyms: 1-(4-hydroxyphenyl)-2-phenylbutan-1-one
Smiles: CCC(C(=O)c1ccc(cc1)O)c1ccccc1

STK525724
Synonyms: (8R,8aR)-6-amino-8-(2,3-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1F)F)C(C(=C2C#N)N)(C#N)C#N

STK525725
Synonyms: (2E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(5-methylfuran-2-yl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)c2ccc(o2)C)ccc1OC(F)F

STK525726
Synonyms: 2-hexyl-5-(phenylamino)phenol
Smiles: CCCCCCc1ccc(cc1O)Nc1ccccc1

STK833071
Synonyms: 3,3'-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)dipropanenitrile
Smiles: N#CCCn1c2ccccc2n(c1=O)CCC#N

STK525731
Synonyms: methyl3-methyl-5,5'-bi-1,2-oxazole-4-carboxylate
Smiles: COC(=O)c1c(C)noc1c1ccno1

STK525732
Synonyms: 6-chloro-5-(4-methoxybenzyl)-N,N-dimethyl-2-(methylsulfanyl)pyrimidin-4-amine
Smiles: COc1ccc(cc1)Cc1c(Cl)nc(nc1N(C)C)SC

STK525733
Synonyms: 3,3-dimethyl-8-phenyl-6-(piperidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)c1ccccc1)N1CCCCC1

STK525734
Synonyms: 2'-[(4-methoxybenzyl)sulfanyl]-6'-methyl-3,4'-bipyridine-3'-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)OC)nc(cc1c1cccnc1)C

STK525735
Synonyms: 6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)c(C)nn2c1ccccc1

STK525736
Synonyms: 4-benzyl-1-(benzylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1

STK833072
Synonyms: 5-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazole
Smiles: Brc1ccc(cc1)c1[nH]nc(c1)C(F)(F)F

STK525741
Synonyms: N-{2-[(1-bromonaphthalen-2-yl)oxy]-5-chlorophenyl}-3,5-dichloro-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1O)Cl)Oc1ccc2c(c1Br)cccc2

STK525743
Synonyms: 2-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanyl}-N'-(propan-2-ylidene)acetohydrazide
Smiles: O=C(CSc1nc(C)cc(n1)N(C)C)NN=C(C)C

STK525747
Synonyms: N'-[(1E)-2-[(5-ethyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-1-(3-nitrophenyl)ethylidene]acetohydrazide
Smiles: CCc1c(C)nc(nc1O)SC/C(=N/NC(=O)C)/c1cccc(c1)[N+](=O)[O-]

STK833075
Synonyms: 3-amino-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
Smiles: CN1CCc2c(C1)c(c1cccs1)c1c(n2)sc(c1N)C(=O)N

STK525749
Synonyms: (5Z)-5-benzylidene-3-(4-methylphenyl)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: Cc1ccc(cc1)N1C(=O)/C(=C/c2ccccc2)/N=C1c1ccccc1

STK525752
Synonyms: 2-benzyl-1H-benzimidazol-5-ol
Smiles: Oc1ccc2c(c1)nc([nH]2)Cc1ccccc1

STK525753
Synonyms: 3-[(2-cyanoethyl)sulfanyl]-6,6,7-trimethyl-1-(morpholin-4-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(N(C2)C)(C)C

STK833078
Synonyms: 2-[(Z)-{[(2Z)-2-(hydroxyimino)-2-(thiophen-2-yl)ethyl](oxido)-lambda~5~-azanylidene}methyl]-4,5-dimethyl-1H-imidazol-1-ol
Smiles: O/N=C(\c1cccs1)/C/[N+](=C/c1nc(c(n1O)C)C)/[O-]

STK525755
Synonyms: 4-({6-[(5E)-5-(3-{6-[(4-carboxyphenyl)amino]-6-oxohexyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)Nc2ccc(cc2)C(=O)O)/C1=O

STK525758
Synonyms: 1,1'-butane-1,4-diyldicyclopropanol
Smiles: OC1(CCCCC2(O)CC2)CC1

STK833080
Synonyms: 6-amino-3-propyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCc1n[nH]c2c1C(C(=C(O2)N)C#N)c1ccccc1C(F)(F)F

STK833081
Synonyms: ethyl2-amino-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxylate
Smiles: CCOC(=O)c1c(N)c(c2n1CCCC2)C#N

STK833083
Synonyms: N'-[(1E)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]-4-methylbenzenesulfonohydrazide
Smiles: Cc1ccc(cc1)S(=O)(=O)N/N=C/1\CCCc2c1[nH]c1c2cc(cc1)Cl

STK512146
Synonyms: 1-cyclohexyl-N-methylmethanamine
Smiles: CNCC1CCCCC1

STK512550
Synonyms: 5-(1,2-dibromoethyl)-1-methyl-1H-tetrazole
Smiles: BrCC(c1nnnn1C)Br

STK723863
Synonyms: 6-chlorotetrazolo[1,5-a]quinazoline
Smiles: Clc1cccc2c1cnc1n2nnn1

STK512651
Synonyms: N-{[5-(4-fluorophenyl)furan-2-yl]methyl}-5-methyl-4H-1,2,4-triazol-3-amine
Smiles: Fc1ccc(cc1)c1ccc(o1)CNc1nnc([nH]1)C

STK512653
Synonyms: N-(4-bromobenzyl)-5-methyl-4H-1,2,4-triazol-3-amine
Smiles: Brc1ccc(cc1)CNc1nnc([nH]1)C

STK512654
Synonyms: N-(2-chloro-6-fluorobenzyl)-5-methyl-4H-1,2,4-triazol-3-amine
Smiles: Cc1nnc([nH]1)NCc1c(F)cccc1Cl

STK512655
Synonyms: N-(2,4-dichlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-amine
Smiles: Clc1ccc(c(c1)Cl)CNc1nnc([nH]1)C

STK723864
Synonyms: 5-(ethylsulfonyl)-1-methyl-1H-tetrazole
Smiles: CCS(=O)(=O)c1nnnn1C

STK512765
Synonyms: N-(4-chlorobenzyl)-2-methyl-2H-tetrazol-5-amine
Smiles: Clc1ccc(cc1)CNc1nnn(n1)C

STK512766
Synonyms: N-(4-bromobenzyl)-2-methyl-2H-tetrazol-5-amine
Smiles: Brc1ccc(cc1)CNc1nnn(n1)C

STK512767
Synonyms: N-[4-(benzyloxy)benzyl]-2-methyl-2H-tetrazol-5-amine
Smiles: Cn1nnc(n1)NCc1ccc(cc1)OCc1ccccc1

STK512769
Synonyms: 1,3-dimethyl-5-{[(2-methyl-2H-tetrazol-5-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Cn1nnc(n1)NCc1ccc2c(c1)n(C)c(=O)n2C

STK512771
Synonyms: N-{[5-(4-chlorophenyl)furan-2-yl]methyl}-2-methyl-2H-tetrazol-5-amine
Smiles: Clc1ccc(cc1)c1ccc(o1)CNc1nnn(n1)C

STK512774
Synonyms: N-(4-chlorobenzyl)-2-ethyl-2H-tetrazol-5-amine
Smiles: CCn1nnc(n1)NCc1ccc(cc1)Cl

STK512775
Synonyms: N-(4-bromobenzyl)-2-ethyl-2H-tetrazol-5-amine
Smiles: CCn1nnc(n1)NCc1ccc(cc1)Br

STK512817
Synonyms: N-tert-butyl-2-methylpropan-1-amine
Smiles: CC(CNC(C)(C)C)C

STK512819
Synonyms: 1,3-dimethyl-5-{[(4-methylphenyl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Cc1ccc(cc1)NCc1ccc2c(c1)n(C)c(=O)n2C

STK512823
Synonyms: 5-{[(4-fluorophenyl)amino]methyl}-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Smiles: Fc1ccc(cc1)NCc1ccc2c(c1)n(C)c(=O)n2C

STK512835
Synonyms: 2-ethyl-N-(4-methoxybenzyl)-2H-tetrazol-5-amine
Smiles: COc1ccc(cc1)CNc1nnn(n1)CC

STK512847
Synonyms: 2-ethyl-N-[4-(methylsulfanyl)benzyl]-2H-tetrazol-5-amine
Smiles: CSc1ccc(cc1)CNc1nnn(n1)CC

STK512936
Synonyms: 5-(1,2-dibromoethyl)-2-methyl-2H-tetrazole
Smiles: BrCC(c1nnn(n1)C)Br

STK512944
Synonyms: N-benzyl-2-ethyl-2H-tetrazol-5-amine
Smiles: CCn1nnc(n1)NCc1ccccc1

STK512945
Synonyms: 2-ethyl-N-(4-fluorobenzyl)-2H-tetrazol-5-amine
Smiles: CCn1nnc(n1)NCc1ccc(cc1)F

STK512949
Synonyms: N-(2,6-dichlorobenzyl)-2-ethyl-2H-tetrazol-5-amine
Smiles: CCn1nnc(n1)NCc1c(Cl)cccc1Cl

STK512967
Synonyms: N-(3,5-dichloro-4-methoxybenzyl)cyclopropanamine
Smiles: COc1c(Cl)cc(cc1Cl)CNC1CC1

STK832181
Synonyms: N,N-dimethyl-N'-phenylethane-1,2-diamine
Smiles: CN(CCNc1ccccc1)C

STK512974
Synonyms: 3-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazol-5-amine
Smiles: Cc1ccc(o1)CNc1[nH]nc(n1)C

STK512975
Synonyms: 3-methyl-N-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1cccs1

STK832199
Synonyms: (7E)-7-benzylidene-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1nnc2n1NC/C(=C\c1ccccc1)/S2

STL115367
Synonyms: [(4-chlorobenzyl)amino]acetonitrile
Smiles: N#CCNCc1ccc(cc1)Cl

STL115373
Synonyms: N-(3,4-dichlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1ccc(c(c1)Cl)Cl

STL115374
Synonyms: N-(3-bromobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: Brc1cccc(c1)CNc1[nH]nc(n1)C

STL115411
Synonyms: N-(3-chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: Clc1cccc(c1)CNc1[nH]nc(n1)C

STL115428
Synonyms: 3-methyl-N-(4-methylbenzyl)-1H-1,2,4-triazol-5-amine
Smiles: Cc1ccc(cc1)CNc1[nH]nc(n1)C

STL115429
Synonyms: N-(2-fluorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1ccccc1F

STL115443
Synonyms: N-(4-methoxybenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: COc1ccc(cc1)CNc1[nH]nc(n1)C

STL115455
Synonyms: 3-methyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1cccn1C

STL115456
Synonyms: N-(2-chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1ccccc1Cl

STL115474
Synonyms: 3-methyl-N-(thiophen-3-ylmethyl)-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1cscc1

STL115475
Synonyms: 3-methyl-N-(3-methylbenzyl)-1H-1,2,4-triazol-5-amine
Smiles: Cc1cccc(c1)CNc1[nH]nc(n1)C

STL115476
Synonyms: 3-methyl-N-(2-methylbenzyl)-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1ccccc1C

STL115485
Synonyms: N-(2,3-dichlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-amine
Smiles: Cc1n[nH]c(n1)NCc1cccc(c1Cl)Cl

STL231940
Synonyms: 5,7-dimethyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
Smiles: O=Cc1cc2c(C)cc(cc2[nH]c1=O)C

STL231942
Synonyms: 3-(furan-2-yl)-N-(4-methoxybenzyl)-1H-pyrazol-5-amine
Smiles: COc1ccc(cc1)CNc1[nH]nc(c1)c1ccco1

STL286893
Synonyms: N-(3-methylphenyl)-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: Cc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2

STK386982
Synonyms: N,N-diethyl-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: CCN(C1=NS(=O)(=O)c2c1cccc2)CC

STL286905
Synonyms: N-cyclopentyl-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)NC1CCCC1

STK137506
Synonyms: 3-(4-ethylpiperazin-1-yl)-1,2-benzothiazole1,1-dioxide
Smiles: CCN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2

STK133723
Synonyms: N-cyclopropyl-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)NC1CC1

STK137333
Synonyms: N-ethyl-N-phenyl-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: CCN(C1=NS(=O)(=O)c2c1cccc2)c1ccccc1

STK133164
Synonyms: 3-(azepan-1-yl)-1,2-benzothiazole1,1-dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)N1CCCCCC1

STK136752
Synonyms: 3-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,2-benzothiazole1,1-dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)N/N=C/c1cccs1

STL286988
Synonyms: N-(4-fluorophenyl)-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: Fc1ccc(cc1)NC1=NS(=O)(=O)c2c1cccc2

STL287002
Synonyms: N-(3-fluorophenyl)-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: Fc1cccc(c1)NC1=NS(=O)(=O)c2c1cccc2

STK239305
Synonyms: 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Cn1c(=O)sc2c1cccc2)Nc1nccs1

STL287008
Synonyms: N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)Nc1nccs1

STK136273
Synonyms: 2-(4-oxoquinazolin-3(4H)-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)Nc1nncs1

STK801713
Synonyms: 4-[(4-methoxybenzyl)amino]phenol
Smiles: COc1ccc(cc1)CNc1ccc(cc1)O

STK524285
Synonyms: 2-[(4-methoxybenzyl)amino]phenol
Smiles: COc1ccc(cc1)CNc1ccccc1O

STK801715
Synonyms: (2-amino-5-ethylthiophen-3-yl)(morpholin-4-yl)methanone
Smiles: CCc1cc(c(s1)N)C(=O)N1CCOCC1

STK801722
Synonyms: 3-(6-bromo-2-oxo-1,3-benzothiazol-3(2H)-yl)propanenitrile
Smiles: N#CCCn1c(=O)sc2c1ccc(c2)Br

STL287048
Synonyms: (3Z)-3-hydrazinylidene-2-methyl-2,3-dihydro-1,2-benzothiazole1,1-dioxide
Smiles: N/N=C\1/c2ccccc2S(=O)(=O)N1C

STL287186
Synonyms: 3-[1-methyl-2-(propan-2-ylidene)hydrazinyl]-1,2-benzothiazole1,1-dioxide
Smiles: CC(=NN(C1=NS(=O)(=O)c2c1cccc2)C)C

STL287192
Synonyms: 3-(1H-imidazol-1-yl)-1,2-benzothiazole1,1-dioxide
Smiles: O=S1(=O)N=C(c2c1cccc2)n1cncc1

STL287224
Synonyms: 1-(1,1-dioxido-1,2-benzothiazol-3-yl)-1,2,3,4-tetrahydroquinoline
Smiles: O=S1(=O)N=C(c2c1cccc2)N1CCCc2c1cccc2

STL287304
Synonyms: N-(2,6-difluorophenyl)-1,2-benzothiazol-3-amine1,1-dioxide
Smiles: Fc1cccc(c1NC1=NS(=O)(=O)c2c1cccc2)F

STL287313
Synonyms: 2-(4-oxoquinazolin-3(4H)-yl)-N-(1H-tetrazol-5-yl)acetamide
Smiles: O=C(Cn1cnc2c(c1=O)cccc2)Nc1nnn[nH]1

STL287723
Synonyms: 2-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]phthalazin-1(2H)-one
Smiles: CC1CCN(CC1)C(=O)Cc1nn(C)c(=O)c2c1cccc2

STK832242
Synonyms: 1-(morpholin-4-ylmethyl)-1H-benzimidazole
Smiles: O1CCN(CC1)Cn1cnc2c1cccc2

STK927063
Synonyms: N-(9-methyl-9H-carbazol-3-yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)c1ccccc1n2C

STK118683
Synonyms: 3-(benzylsulfanyl)-5-methyl-4H-1,2,4-triazole
Smiles: Cc1nnc([nH]1)SCc1ccccc1

STK123539
Synonyms: 4-(4-fluorophenyl)-1,3-thiazol-2-amine
Smiles: Fc1ccc(cc1)c1csc(n1)N

STK889365
Synonyms: 4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-amine
Smiles: COc1ccc(cc1C)c1csc(n1)N

STK927344
Synonyms: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(C)cc(n1)C

STK927378
Synonyms: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pyridin-2-amine
Smiles: [O-][N+](=O)c1cccc(c1)c1csc(n1)Nc1ccccn1

STK140484
Synonyms: N-methyl-N-phenyl-4-(pyridin-2-yl)piperazine-1-carboxamide
Smiles: O=C(N(c1ccccc1)C)N1CCN(CC1)c1ccccn1

STK927659
Synonyms: 1-[1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methanamine
Smiles: NCc1c(C)nn(c1C)c1ccc(cc1)F

STK927691
Synonyms: 4-(9-methyl-9H-carbazol-2-yl)-4H-pyrazol-3-ol
Smiles: OC1=NN=CC1c1ccc2c(c1)n(C)c1c2cccc1

STK927697
Synonyms: N-(9-methyl-9H-carbazol-2-yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)n(C)c1c2cccc1

STK927703
Synonyms: 3-(6-methyl-1-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanenitrile
Smiles: N#CCCn1c2ccc(cc2c2c1C(=O)CCC2)C

STK927773
Synonyms: 4-(4-methoxyphenyl)-2,5-dihydro-1H-2,3-benzodiazepin-1-one
Smiles: COc1ccc(cc1)C1=NNC(=O)c2c(C1)cccc2

STK927774
Synonyms: 4-(4-methoxyphenyl)-2,5-dihydro-1H-2,3-benzodiazepine-1-thione
Smiles: COc1ccc(cc1)C1=NNC(=S)c2c(C1)cccc2

STK927775
Synonyms: 4-(4-methoxyphenyl)-1-(methylsulfanyl)-5H-2,3-benzodiazepine
Smiles: CSC1=NN=C(Cc2c1cccc2)c1ccc(cc1)OC

STK927801
Synonyms: 3-methyl-1H-indole-5-carboxylicacid
Smiles: Cc1c[nH]c2c1cc(cc2)C(=O)O

STK927837
Synonyms: 2-amino-3-methylisoquinolin-1(2H)-one
Smiles: Nn1c(C)cc2c(c1=O)cccc2

STK927838
Synonyms: 4-ethenyl-3,5-dimethyl-1H-pyrazole
Smiles: C=Cc1c(C)n[nH]c1C

STK927864
Synonyms: N-(3,5-dimethyl-1-propanoyl-1H-pyrazol-4-yl)propanamide
Smiles: CCC(=O)Nc1c(C)nn(c1C)C(=O)CC

STK927929
Synonyms: N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
Smiles: CCCC(=O)Nc1c(C)n[nH]c1C

STK927936
Synonyms: 2-ethyl-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium
Smiles: CC[n+]1c(C)cc(n1c1ccccc1)C

STL137765
Synonyms: isochromeno[3,4-c]pyrazol-5(2H)-one
Smiles: O=c1oc2n[nH]cc2c2c1cccc2

STK832317
Synonyms: (1-methylpyridin-2(1H)-ylidene)propanedinitrile
Smiles: N#CC(=c1ccccn1C)C#N

STK832318
Synonyms: (2E)-(1-methylpyridin-2(1H)-ylidene)(4-phenyl-1,3-thiazol-2-yl)ethanenitrile
Smiles: N#C/C(=c\1/ccccn1C)/c1scc(n1)c1ccccc1

STK832322
Synonyms: (2E)-1H-benzimidazol-2-yl(1-methylpyridin-2(1H)-ylidene)ethanenitrile
Smiles: N#C/C(=c\1/ccccn1C)/c1nc2c([nH]1)cccc2

STK832376
Synonyms: S-methylpyridine-2-carbothioate
Smiles: CSC(=O)c1ccccn1

STK832378
Synonyms: 1-phenyl-2-(2-thioxopyridin-1(2H)-yl)ethanone
Smiles: O=C(c1ccccc1)Cn1ccccc1=S

STL137768
Synonyms: N-(4-fluorophenyl)-2-(morpholin-4-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CN1CCOCC1

STK257509
Synonyms: N-benzylpiperidine-1-carboxamide
Smiles: O=C(N1CCCCC1)NCc1ccccc1

STK927969
Synonyms: 2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-benzimidazole
Smiles: c1ncn(n1)CCc1nc2c([nH]1)cccc2

STK387028
Synonyms: N-{2-[(2-cyclohexylidenehydrazinyl)carbonyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccccc1C(=O)NN=C1CCCCC1

STK280514
Synonyms: 3-amino-2-methylquinazolin-4(3H)-one
Smiles: Nn1c(C)nc2c(c1=O)cccc2

STK524542
Synonyms: 1-ethylpiperazine-2,3-dione
Smiles: CCN1CCNC(=O)C1=O

STK525761
Synonyms: 5-benzyl-2-(morpholin-4-ylmethyl)pyridin-3-ol
Smiles: Oc1cc(cnc1CN1CCOCC1)Cc1ccccc1

STK525762
Synonyms: 2-(tert-butylsulfonyl)benzene-1,3-dicarboxylicacid
Smiles: OC(=O)c1cccc(c1S(=O)(=O)C(C)(C)C)C(=O)O

STK833084
Synonyms: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone
Smiles: CC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525764
Synonyms: 2-[(2E)-2-{1-[4-(pentyloxy)phenyl]ethylidene}hydrazinyl]-4,5-dihydro-1H-imidazole
Smiles: CCCCCOc1ccc(cc1)/C(=N/NC1=NCCN1)/C

STK525765
Synonyms: 1-(morpholin-4-yl)-3-(propylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK525768
Synonyms: 2-(5-methoxy-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: COc1ccc2c(c1)c(c[nH]2)C1N2CC3(CN1CC(C2)(C3=O)C)C

STK525773
Synonyms: diethyl5,5'-oxybis(1H-indole-2-carboxylate)
Smiles: CCOC(=O)c1[nH]c2c(c1)cc(cc2)Oc1ccc2c(c1)cc([nH]2)C(=O)OCC

STK833088
Synonyms: N-cyclohexyl-2-phenylcyclopropanecarboxamide
Smiles: O=C(C1CC1c1ccccc1)NC1CCCCC1

STK833091
Synonyms: 1,7-dibenzyl-8-(benzylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc(n2Cc1ccccc1)NCc1ccccc1

STK833093
Synonyms: diethyl{[5-(dimethylsulfamoyl)-1-methyl-1H-indol-3-yl]methylidene}propanedioate
Smiles: CCOC(=O)C(=Cc1cn(c2c1cc(cc2)S(=O)(=O)N(C)C)C)C(=O)OCC

STK525781
Synonyms: 1-(2,2-dibromo-1-methylcyclopropyl)-4-methoxybenzene
Smiles: COc1ccc(cc1)C1(C)CC1(Br)Br

STK833094
Synonyms: 2-(benzylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK525783
Synonyms: N-(tert-butoxycarbonyl)leucine
Smiles: CC(CC(C(=O)O)NC(=O)OC(C)(C)C)C

STK833096
Synonyms: N-(5-acetyl-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)acetamide
Smiles: CC(=O)Nc1ccc2c(c1)N(C(=O)C)c1ccccc1CC2

STK833098
Synonyms: benzyl[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
Smiles: N#Cc1cc2CCCCCc2nc1SCC(=O)OCc1ccccc1

STK525787
Synonyms: N-[(2E,4E)-1-oxo-5-phenyl-1-(2-phenylhydrazinyl)penta-2,4-dien-2-yl]benzamide
Smiles: O=C(/C(=C\C=C\c1ccccc1)/NC(=O)c1ccccc1)NNc1ccccc1

STK525789
Synonyms: 4-(1-aminoethyl)-2,6-di-tert-butylphenol
Smiles: CC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N

STK525791
Synonyms: 4-(aminomethyl)-2-methylphthalazin-1(2H)-one
Smiles: NCc1nn(C)c(=O)c2c1cccc2

STK833101
Synonyms: 3-amino-4-(phenylamino)thieno[2,3-b]pyridine-2-carbonitrile
Smiles: N#Cc1sc2c(c1N)c(ccn2)Nc1ccccc1

STK833102
Synonyms: 2-[5-acetyl-2-(2-methylpropoxy)benzyl]propanediamide
Smiles: CC(COc1ccc(cc1CC(C(=O)N)C(=O)N)C(=O)C)C

STK833103
Synonyms: 7-methyl-3-(morpholin-4-yl)-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: N#Cc1c(nc(c2c1CCN(C2)C)N1CCCC1)N1CCOCC1

STK525793
Synonyms: 7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Smiles: COc1ccc(cc1)C1C=C(C)Nc2n1nc(n2)N

STK525799
Synonyms: (1Z)-1-(4-bromophenyl)-N-[(2,6-dimethylpyrimidin-4-yl)oxy]ethanimine
Smiles: Brc1ccc(cc1)/C(=N\Oc1cc(C)nc(n1)C)/C

STK525803
Synonyms: N-hydroxypyridine-2-carboximidamide
Smiles: ONC(=N)c1ccccn1

STK833109
Synonyms: 6-amino-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1ncc(c1)[N+](=O)[O-])OC)c([nH]n2)c1ccccc1

STK525807
Synonyms: 4-chloropyridine-2-carboxamide
Smiles: NC(=O)c1cc(Cl)ccn1

STK833112
Synonyms: 4,5,5-trimethyl-2-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-1-ol3-oxide
Smiles: [O-][N+]1=C(C)C(N(C1c1ccccc1C(F)(F)F)O)(C)C

STK525815
Synonyms: 1-(benzylamino)-7-ethyl-3-(piperidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCN1CCc2c(C1)c(NCc1ccccc1)nc(c2C#N)N1CCCCC1

STK525817
Synonyms: ethyl3-[(N-methylglycyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNC)cccc2

STK525818
Synonyms: 3,4,4-trimethyl-1-(naphthalen-1-yl)-5-(1H-1,2,4-triazol-1-yl)imidazolidin-2-one
Smiles: O=C1N(c2cccc3c2cccc3)C(C(N1C)(C)C)n1cncn1

STK525819
Synonyms: 7-ethyl-3-(morpholin-4-yl)-1-(piperidin-1-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCN1CCc2c(C1)c(nc(c2C#N)N1CCOCC1)N1CCCCC1

STK525820
Synonyms: 2-amino-4-(2-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)NC2=C(C1c1ccccc1Cl)C(=O)CCC2

STK525821
Synonyms: 2-[(5Z)-5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoicacid
Smiles: Brc1cccc(c1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

STK833118
Synonyms: 5-butyl-N-hexyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CCCC

STK525823
Synonyms: 3-(3-methyl-1H-indol-1-yl)propanoicacid
Smiles: OC(=O)CCn1cc(c2c1cccc2)C

STK833119
Synonyms: 5-hydroxy-7-methyl-3-(2-methyl-1,3-thiazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one
Smiles: Cc1scc(n1)c1c(=O)c2c(O)cc(cc2oc1C(F)(F)F)C

STK525827
Synonyms: 6-(cyclohexylamino)-3,3-dimethyl-8-propyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCc1nc(NC2CCCCC2)c(c2c1COC(C2)(C)C)C#N

STK833121
Synonyms: 2-hydroxy-N-(pyridin-4-yl)benzamide
Smiles: O=C(c1ccccc1O)Nc1ccncc1

STK525833
Synonyms: 2-[benzyl(dipropyl)ammonio]ethanolate
Smiles: [O-]CC[N+](Cc1ccccc1)(CCC)CCC

STK525836
Synonyms: 11,11-dimethyl-11,12-dihydro-9H-pyrano[4',3':4,5]thieno[2,3-e]bistetrazolo[1,5-a:1',5'-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)c2nnnn2c2n1nnn2

STK833131
Synonyms: 3-(5-chloro-1,3-benzoxazol-2-yl)-7-(diethylamino)-2H-chromen-2-one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)Cl)CC

STK833132
Synonyms: {[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
Smiles: N#CCOc1nc(nc(n1)N1CCOCC1)N(C)C

STK833133
Synonyms: 2-(benzylsulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Smiles: c1ccc(cc1)CSc1cn2c(n1)CCC2

STK525842
Synonyms: 3-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoicacid
Smiles: OC(=O)CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK833135
Synonyms: 2-(ethylsulfanyl)-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCC3

STK525847
Synonyms: 5,5-dimethyl-2-[(propylamino)methylidene]cyclohexane-1,3-dione
Smiles: CCCNC=C1C(=O)CC(CC1=O)(C)C

STK525849
Synonyms: 1-(3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}-4-propoxyphenyl)ethanone
Smiles: CCCOc1ccc(cc1Cc1c(O)nc(nc1O)SC)C(=O)C

STK833136
Synonyms: 3,6-di-tert-butyl-4-chlorocyclohexa-3,5-diene-1,2-dione
Smiles: O=C1C(=O)C(=C(C=C1C(C)(C)C)Cl)C(C)(C)C

STK525852
Synonyms: 3-(benzylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(NCc2ccccc2)nc(c2c1CCCC2)c1ccccc1

STK525854
Synonyms: 6-(ethoxymethyl)-5-[4-(2-methylpropoxy)benzyl]-2-sulfanylpyrimidin-4-ol
Smiles: CCOCc1nc(S)nc(c1Cc1ccc(cc1)OCC(C)C)O

STK525855
Synonyms: 2-[(2E)-2-{1-[4-(hexyloxy)phenyl]ethylidene}hydrazinyl]-4,5-dihydro-1H-imidazole
Smiles: CCCCCCOc1ccc(cc1)/C(=N/NC1=NCCN1)/C

STK833137
Synonyms: (3Z)-3-(1H-indol-3-ylmethylidene)-2-benzofuran-1(3H)-one
Smiles: O=C1O/C(=C\c2c[nH]c3c2cccc3)/c2c1cccc2

STK525859
Synonyms: ethyl5,5-dimethyl-2-[(phenylcarbonyl)amino]-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)SC2

STK525860
Synonyms: 5-cyano-2-methyl-6-{[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl}-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)NC(C)C)NC(=C(C1c1ccncc1)C(=O)Nc1ccccc1)C

STK833141
Synonyms: methyl(2Z)-3-(5-cyano-2-phenyl-2H-1,2,3-triazol-4-yl)prop-2-enoate
Smiles: COC(=O)/C=C\c1nn(nc1C#N)c1ccccc1

STK525863
Synonyms: (3E)-1-(2-chloroethyl)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
Smiles: ClCCN1c2ccccc2/C(=N\O)/C1=O

STK525864
Synonyms: N-{2-[(1-bromonaphthalen-2-yl)oxy]-5-chlorophenyl}-2-hydroxy-3,5-diiodobenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(I)cc(c1O)I)Oc1ccc2c(c1Br)cccc2

STK525867
Synonyms: 3-amino-7-benzyl-1-thioxo-5,6,7,8-tetrahydro-1H-thiopyrano[3,4-c]pyridine-4-carbonitrile
Smiles: N#Cc1c(N)sc(=S)c2c1CCN(C2)Cc1ccccc1

STL036480
Synonyms: 6-(4-propoxyphenyl)-4,5-dihydropyridazin-3(2H)-one
Smiles: CCCOc1ccc(cc1)C1=NNC(=O)CC1

STK833146
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(morpholin-4-yl)propan-1-one
Smiles: O=C(c1ccc2c(c1)OCCO2)CCN1CCOCC1

STK525870
Synonyms: 4,4'-[ethane-1,2-diylbis(oxy)]bis[N,N-bis(2-chloroethyl)benzamide]
Smiles: ClCCN(C(=O)c1ccc(cc1)OCCOc1ccc(cc1)C(=O)N(CCCl)CCCl)CCCl

STK525872
Synonyms: 3-chloro-N-hydroxy-2,2-dimethylpropanamide
Smiles: ClCC(C(=O)NO)(C)C

STK525874
Synonyms: 2-[(dipropylamino)methyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCN(Cc1nc2c3ccccc3CC3(c2c(=O)[nH]1)CCCC3)CCC

STK525876
Synonyms: (4-chlorophenyl){2-[(E)-2-(dimethylamino)ethenyl]-5-methoxy-1-benzofuran-3-yl}methanone
Smiles: COc1ccc2c(c1)c(c(o2)/C=C/N(C)C)C(=O)c1ccc(cc1)Cl

STK525877
Synonyms: (2R,3R,10bS)-3-[(4-methoxyphenyl)carbonyl]-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Smiles: N#CC1(C#N)[C@@H](c2cccnc2)[C@@H](N2[C@H]1c1ccccc1C=C2)C(=O)c1ccc(cc1)OC

STK525878
Synonyms: N-(3-chloro-4-ethoxybenzyl)imidodicarbonimidicdiamide
Smiles: CCOc1ccc(cc1Cl)CNC(=N)NC(=N)N

STK525879
Synonyms: 1-(3-phenyl-4,5-dihydropyrazolo[4,3-a]carbazol-10(3H)-yl)-3-(propan-2-ylamino)propan-2-ol
Smiles: CC(NCC(Cn1c2ccccc2c2c1c1cnn(c1CC2)c1ccccc1)O)C

STK525882
Synonyms: 2-(prop-2-en-1-ylsulfanyl)-7-propyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCN1CCc2c(C1)sc1c2c(N)nc(n1)SCC=C

STK525884
Synonyms: [3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](phenyl)methanone
Smiles: Cc1nc2sc(c(c2c(c1)C(F)(F)F)N)C(=O)c1ccccc1

STK525885
Synonyms: N-{2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)amino]ethyl}furan-2-carboxamide
Smiles: N#Cc1c(NCCNC(=O)c2ccco2)nc(c2c1CCCC2)c1ccccc1

STK833153
Synonyms: ethyl6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C1c1c(C)nn(c1Cl)c1ccccc1)C#N)N

STK525888
Synonyms: ethyl3-{[N-(4,5-dimethyl-1,3-thiazol-2-yl)glycyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1sc(c(n1)C)C)cc(cc2)C

STK525889
Synonyms: ethyl5-methyl-3-{[N-(1,3,4-thiadiazol-2-yl)glycyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nncs1)cc(cc2)C

STK525892
Synonyms: 2-methyl-3-(phenylcarbonyl)naphtho[1,2-b]furan-5-ylacetate
Smiles: CC(=O)Oc1cc2c(c(oc2c2c1cccc2)C)C(=O)c1ccccc1

STK801737
Synonyms: 4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
Smiles: COc1ccc2c(c1)c(c1csc(n1)N)c([nH]2)C

STK525894
Synonyms: ethyl[5-(N,N-diethylglycyl)-5H-dibenzo[b,f]azepin-3-yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1C=C2

STK833157
Synonyms: methyl2-({[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamoyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)NC(C(F)(F)F)(C(F)(F)F)CC

STK525896
Synonyms: 2-[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1[nH]c(=O)c2c(n1)sc1c2CCC1

STK525900
Synonyms: 1-(4-bromobenzyl)-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Br

STK525904
Synonyms: 4-(2-amino-1,3-thiazol-4-yl)-2,6-di-tert-butylphenol
Smiles: Nc1scc(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525905
Synonyms: 2,4,6-trimethylpyridine-3-sulfonicacid
Smiles: Cc1cc(C)c(c(n1)C)S(=O)(=O)O

STK525906
Synonyms: 3-chloro-7-ethyl-1-[(3-hydroxypropyl)amino]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: OCCCNc1nc(Cl)c(c2c1CN(CC)CC2)C#N

STK525909
Synonyms: (2E)-2-(2-chlorobenzylidene)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Smiles: Cc1ccc2c(c1)c1CC/C(=C\c3ccccc3Cl)/C(=O)c1[nH]2

STK525910
Synonyms: [(5-hydroxy-3-phenyl-1H-pyrazol-4-yl)(thiophen-3-yl)methyl]propanedinitrile
Smiles: N#CC(C(c1c(O)[nH]nc1c1ccccc1)c1cscc1)C#N

STK525911
Synonyms: 9-tert-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(C1CCc2c(C1)sc1c2c2ncnn2cn1)(C)C

STK833164
Synonyms: (2Z)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-2-en-1-one
Smiles: CC(/C=C(/C(=O)c1ccc(cc1Cl)Cl)\n1cncn1)C

STK525913
Synonyms: 2,3-dimethoxy-6-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=N/NC(=O)c1cccnc1

STK833165
Synonyms: 2-{[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl]oxy}-N-(2-hydroxyethyl)propanamide
Smiles: CCc1cc2c(cc1OC(C(=O)NCCO)C)occ(c2=O)c1nc(cs1)C

STK525916
Synonyms: 3-(imidazo[2,1-b][1,3]thiazol-6-yl)-1H-indole
Smiles: c1ccc2c(c1)c(c[nH]2)c1cn2c(n1)scc2

STK833168
Synonyms: (1S,2S)-2-phenyl-N-[(1S,2S)-2-phenylcyclopropyl]cyclopropanecarboxamide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N[C@H]1C[C@H]1c1ccccc1

STK525922
Synonyms: [(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc2c(n1Cc1ccccc1)c(=O)[nH]c(=O)n2C

STK525924
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl[bis(3,4-dimethylphenyl)]methanol
Smiles: Cc1ccc(cc1C)C(C1CN2CC[C@H]1CC2)(c1ccc(c(c1)C)C)O

STK525925
Synonyms: 2-[(3-chloro-4-methoxybenzyl)sulfanyl]ethanamine
Smiles: NCCSCc1ccc(c(c1)Cl)OC

STK525929
Synonyms: 10-amino-7,11-dicyano-3-ethyl-9-aza-3-azoniaspiro[5.5]undeca-7,10-diene-8-thiolate
Smiles: CC[NH+]1CCC2(CC1)C(=C([S-])NC(=C2C#N)N)C#N

STK525936
Synonyms: (3aR,7aS)-5-chloro-2-[2-(morpholin-4-yl)ethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
Smiles: ClC1=CC[C@H]2[C@@H](C1)CN(C2)CCN1CCOCC1

STK525938
Synonyms: N'-[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-yl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNc1nnnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK833177
Synonyms: ethyl2-amino-4-(pyridin-3-yl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N)scc1c1cccnc1

STK525939
Synonyms: diethyl[(1E)-2-amino-N-{[(4-methoxyphenyl)carbonyl]oxy}-2-oxoethanimidoyl]phosphonate
Smiles: CCOP(=O)(/C(=N/OC(=O)c1ccc(cc1)OC)/C(=O)N)OCC

STK525948
Synonyms: 7-(dimethylamino)-4-hydroxy-1-methylquinolin-2(1H)-one
Smiles: CN(c1ccc2c(c1)n(C)c(=O)cc2O)C

STK833182
Synonyms: prop-2-en-1-yl3-methyl-2-[(phenylcarbonyl)amino]but-2-enoate
Smiles: C=CCOC(=O)C(=C(C)C)NC(=O)c1ccccc1

STK525950
Synonyms: 2-{3-[(dimethylamino)methyl]-4-ethoxybenzyl}propanediamide
Smiles: CCOc1ccc(cc1CN(C)C)CC(C(=O)N)C(=O)N

STK833183
Synonyms: 2-(benzylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: C=CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK525961
Synonyms: 3,5-di-tert-butyl-4-hydroxybenzylthiocyanate
Smiles: N#CSCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK833185
Synonyms: 4-amino-N-(4-methoxyphenyl)benzamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)N

STK833186
Synonyms: (2E)-1-(5-chloro-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)C(=O)/C=C/c1ccc2c(c1)OCCO2)O

STK833188
Synonyms: 2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1cccc(c1)n1c(/C=C/c2ccccc2F)nc2c(c1=O)cccc2

STK525969
Synonyms: 1,8-bis(4-fluorophenyl)octane-1,8-dione
Smiles: O=C(c1ccc(cc1)F)CCCCCCC(=O)c1ccc(cc1)F

STK833189
Synonyms: 1-benzyldihydropyrimidine-2,4(1H,3H)-dione
Smiles: O=C1NC(=O)CCN1Cc1ccccc1

STK525970
Synonyms: 4-(5-cyano-8-ethyl-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridin-6-yl)-N-phenylpiperazine-1-carbothioamide
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)CC)N1CCN(CC1)C(=S)Nc1ccccc1

STK833191
Synonyms: 3-(4-methylphenyl)-2-[(2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK833192
Synonyms: ethyl3-amino-5-methyl-4-{[3-(morpholin-4-yl)propyl]carbamoyl}thiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1N)C(=O)NCCCN1CCOCC1)C

STK525973
Synonyms: N-[(5-bromopyridin-3-yl)carbonyl]methionine
Smiles: CSCCC(C(=O)O)NC(=O)c1cncc(c1)Br

STK525974
Synonyms: 3-[(2-cyanoethyl)sulfanyl]-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2

STK525975
Synonyms: ethyl6-amino-5-cyano-4-(2,4-difluorophenyl)-2-phenyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(OC(=C(C1c1ccc(cc1F)F)C#N)N)c1ccccc1

STK525977
Synonyms: (5-methoxy-2-methyl-1-benzofuran-3-yl)(phenyl)methanone
Smiles: COc1ccc2c(c1)c(c(o2)C)C(=O)c1ccccc1

STK833195
Synonyms: ethyl{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}acetate
Smiles: CCOC(=O)COc1nc(nc(n1)N(C)C)N(C)C

STK525978
Synonyms: 2-(dimethylamino)ethyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Smiles: CN(CCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C

STK525981
Synonyms: 2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethanamine
Smiles: CCN(CCOc1ccc(cc1)/C(=C(\c1ccccc1)/Cl)/c1ccccc1)CC

STK833200
Synonyms: 6,6,7-trimethyl-1-(morpholin-4-yl)-3-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(N(C2)C)(C)C

STK525984
Synonyms: (3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methanone
Smiles: O=C(c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK525987
Synonyms: methyl3-{(E)-[1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccc(cc1)F)cccc2

STK525989
Synonyms: N-butyl-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK525993
Synonyms: 2-({4-[(5E)-5-(3-{4-[(2-carboxyphenyl)amino]-4-oxobutyl}-2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-4-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoicacid
Smiles: O=C(Nc1ccccc1C(=O)O)CCCN1C(=O)S/C(=C\2/SC(=O)N(C2=S)CCCC(=O)Nc2ccccc2C(=O)O)/C1=S

STK833203
Synonyms: (5-hydroxy-1-benzofuran-3-yl)(thiophen-2-yl)methanone
Smiles: Oc1ccc2c(c1)c(co2)C(=O)c1cccs1

STK833204
Synonyms: 1-(4-butoxy-3-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl]methyl}phenyl)ethanone
Smiles: CCCCOc1ccc(cc1Cc1c(O)nc(nc1O)SC)C(=O)C

STK833205
Synonyms: 2-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)C(=O)CC(C2)(C)C

STK525997
Synonyms: N-cyclohexylpyridin-4-amine
Smiles: C1CCC(CC1)Nc1ccncc1

STK526000
Synonyms: 4-(3-bromopropyl)-2,6-di-tert-butylphenol
Smiles: BrCCCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526001
Synonyms: 5-hydroxy-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: N#Cc1cnn(c1O)c1ccccc1

STK526002
Synonyms: N~4~-{7-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl}-N~1~,N~1~-diethylpentane-1,4-diamine
Smiles: CCN(CCCC(Nc1nc(/C=C/c2ccccc2)nc2c1ccc(c2)Cl)C)CC

STK526003
Synonyms: 8-(ethylsulfanyl)-2,2-dimethyl-5-(piperidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCCC1

STK833208
Synonyms: 5-(thiophen-3-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: O=c1[nH]cnc2c1c(cs2)c1cscc1

STK526005
Synonyms: 4,7,7,8-tetramethyl-1-thioxo-2,4,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Smiles: CN1Cc2sc3c(c2CC1(C)C)c(=O)n(c1n3c(=S)[nH]n1)C

STK526006
Synonyms: 3,5-dibromo-N-{4-chloro-2-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}-2-hydroxybenzamide
Smiles: Clc1ccc(c(c1)Oc1cc(C)ccc1C(C)C)NC(=O)c1cc(Br)cc(c1O)Br

STK526009
Synonyms: {[(1-benzyl-5-oxo-2-thioxoimidazolidin-4-yl)methyl]sulfanyl}aceticacid
Smiles: OC(=O)CSCC1NC(=S)N(C1=O)Cc1ccccc1

STK526010
Synonyms: 2-[(3-methyl-6-oxo-6H-pyrimido[2,1-b]quinazolin-2-yl)amino]-N-phenylbenzamide
Smiles: O=C(c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1C)Nc1ccccc1

STK526012
Synonyms: 2-amino-4-(4-chlorophenyl)-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(c(c1c1ccc(cc1)Cl)C#N)N

STK526016
Synonyms: 6,7,8,9-tetrahydro-11H-indeno[1,2-b]quinoxalin-11-one5,10-dioxide
Smiles: [O-][n+]1c2CCCCc2[n+](c2c1c1ccccc1C2=O)[O-]

STK833210
Synonyms: 3-(4-methylphenyl)-N-phenyl-1H-pyrazole-5-carboxamide
Smiles: Cc1ccc(cc1)c1n[nH]c(c1)C(=O)Nc1ccccc1

STK526019
Synonyms: methyl3-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
Smiles: COC(=O)C1ON=C(C1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526020
Synonyms: ethyl6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)OC(=C(C1c1ccccc1Cl)C#N)N

STK526022
Synonyms: N-{4-[(4-bromonaphthalen-1-yl)oxy]-3-chlorophenyl}-3,5-dichloro-2-hydroxybenzamide
Smiles: Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc(c2c1cccc2)Br)O

STK833213
Synonyms: N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-propylpentanamide
Smiles: CCCC(C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2)CCC

STK526028
Synonyms: 2-[(E)-(4-bromophenyl)diazenyl]-3-hydroxypyridine-4-carboxylicacid
Smiles: Brc1ccc(cc1)/N=N/c1nccc(c1O)C(=O)O

STK526029
Synonyms: 6-(5-amino-1,3,4-oxadiazol-2-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
Smiles: Nc1nnc(o1)c1cc(=O)n(c(=O)[nH]1)C

STK526030
Synonyms: bis(3-iodophenyl)(pyridin-2-yl)methanol
Smiles: Ic1cccc(c1)C(c1ccccn1)(c1cccc(c1)I)O

STK526031
Synonyms: 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCNc1nc2c(n1CCc1ccccc1)c(=O)n(c(=O)n2C)C

STK833218
Synonyms: 6-(benzylsulfanyl)-3,3-dimethyl-8-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(SCc2ccccc2)nc(c2c1CC(C)(C)OC2)N1CCCC1

STK526037
Synonyms: 1-butyl-5-[(S)-(1-butyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(pyridinium-4-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: CCCCn1c(=O)[nH]c(=O)c(c1O)[C@@H](c1c([O-])[nH]c(=O)n(c1=O)CCCC)c1cc[nH+]cc1

STK526038
Synonyms: 2-(4,5-dihydro-1H-imidazol-2-ylamino)ethanol
Smiles: OCCNC1=NCCN1

STK526040
Synonyms: 2,6-di-tert-butyl-4-{[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]methyl}phenol
Smiles: Oc1c(cc(cc1C(C)(C)C)COCC1COC(O1)(C)C)C(C)(C)C

STK526042
Synonyms: 2-{4-[(1S,8aR)-3-amino-7-tert-butyl-2,2,4-tricyano-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]phenoxy}acetamide
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCC(C2)C(C)(C)C)c1ccc(cc1)OCC(=O)N)(C#N)C#N

STK526044
Synonyms: N,N,5,5-tetramethyl-3-(4-nitrophenyl)-1,2,4-oxadiazol-4(5H)-amine
Smiles: CN(N1C(=NOC1(C)C)c1ccc(cc1)[N+](=O)[O-])C

STK526047
Synonyms: 8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncn1c2ncn1

STK833225
Synonyms: 1-(4-chlorobutyl)-1H-indole-2,3-dione
Smiles: ClCCCCN1c2ccccc2C(=O)C1=O

STK526052
Synonyms: 6-amino-2-methyl-8-(2-nitrophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccccc1[N+](=O)[O-])(C#N)C#N

STK833230
Synonyms: N-(butan-2-yl)-N'-ethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazine-2,4-diamine
Smiles: CCNc1nc(NC(CC)C)nc(n1)ON=C(C)C

STK833234
Synonyms: 2-methoxyethyl5-[(2-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylate
Smiles: COCCOC(=O)c1c(C)oc2c1cc(OCc1ccccc1F)cc2

STK526062
Synonyms: 4-benzyl-1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK526072
Synonyms: 8-butyl-3,3-dimethyl-6-(morpholin-4-yl)-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCc1nc(N2CCOCC2)c(c2c1CSC(C2)(C)C)C#N

STK526075
Synonyms: 5-[bis(2-chloroethyl)sulfamoyl]-1H-indole-3-carboxylicacid
Smiles: ClCCN(S(=O)(=O)c1ccc2c(c1)c(c[nH]2)C(=O)O)CCCl

STK526077
Synonyms: 4-benzyl-1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK526078
Synonyms: ethyl(2E)-3-(5-amino-3,3-dimethyl-3,4-dihydro-2H-pyran-6-yl)-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/C1=C(N)CC(CO1)(C)C)/C#N

STK526080
Synonyms: ethyl3-amino-3-phenylpropanoate
Smiles: CCOC(=O)CC(c1ccccc1)N

STK526082
Synonyms: S-phenyl[(2-oxo-2,3-dihydro-1H-indol-3-yl)amino]ethanethioate
Smiles: O=C(Sc1ccccc1)CNC1C(=O)Nc2c1cccc2

STK526084
Synonyms: ethyl5-methyl-3-[(N-methylglycyl)amino]-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNC)cc(cc2)C

STK833245
Synonyms: ethyl[5-(methylcarbamoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate
Smiles: CCOC(=O)Nc1ccc2c(c1)N(C(=O)NC)c1ccccc1CC2

STK833246
Synonyms: 10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Smiles: OCCN1CCN(CC1)C(=O)N1c2ccccc2CCc2c1cccc2

STK801738
Synonyms: ethyl(2Z)-cyano(2,2-dimethyltetrahydro-4H-pyran-4-ylidene)ethanoate
Smiles: CCOC(=O)/C(=C\1/CCOC(C1)(C)C)/C#N

STK526088
Synonyms: N-(5-bromo-1,3-benzodioxol-4-yl)-N~2~,N~2~-diethylglycinamide
Smiles: CCN(CC(=O)Nc1c(Br)ccc2c1OCO2)CC

STK833248
Synonyms: 3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCCC1)CCCCC3

STK526091
Synonyms: 1-amino-3-(diphenylamino)propan-2-ol
Smiles: NCC(CN(c1ccccc1)c1ccccc1)O

STK833250
Synonyms: 2,4-di-tert-butyl-6-(morpholin-4-ylmethyl)phenol
Smiles: Oc1c(CN2CCOCC2)cc(cc1C(C)(C)C)C(C)(C)C

STK526096
Synonyms: methyl2-amino-4-(4-fluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C1c1ccc(cc1)F)c(=O)oc1c2cccc1

STK526097
Synonyms: [1-benzyl-4-(ethoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]aceticacid
Smiles: CCOC(=O)C1=C(C)N(C(=O)C1CC(=O)O)Cc1ccccc1

STK526098
Synonyms: ethyl1-amino-5,8,8-trimethyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)C

STK526102
Synonyms: 3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylicacid
Smiles: O=C(C1C2C=CC(C1C(=O)O)C2)Nc1ccccc1C

STK526107
Synonyms: 3,3-dimethyl-6-[(3-methylbutyl)amino]-8-(propan-2-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(NCCC(C)C)nc(c2c1CC(C)(C)OC2)C(C)C

STK526108
Synonyms: (2,2,4-trimethyl-6-tritylquinolin-1(2H)-yl)oxidanyl
Smiles: CC1=CC(C)(C)N(c2c1cc(cc2)C(c1ccccc1)(c1ccccc1)c1ccccc1)[O]

STK833256
Synonyms: [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl][(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyanamide
Smiles: N#CN(c1nc(nc(n1)N(C)C)N(C)C)CN1C(=O)c2c(C1=O)cccc2

STK526114
Synonyms: 2-chloro-2-nitro-1H-phenalene-1,3(2H)-dione
Smiles: O=C1c2cccc3c2c(C(=O)C1(Cl)[N+](=O)[O-])ccc3

STK833258
Synonyms: 1-(3-chlorobenzyl)-3,7-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1cccc(c1)Cl)C

STK526116
Synonyms: N,N'-dibutyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
Smiles: CCCCNC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)NCCCC

STK526122
Synonyms: 7-(2-chloro-6-fluorobenzyl)-8-[(1-hydroxybutan-2-yl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Nc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C)CO

STK526123
Synonyms: 7,9-di-tert-butylspiro[4.5]deca-6,9-dien-8-one
Smiles: CC(C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C)(C)C

STK526128
Synonyms: 1,4-dimethylspiro[2.2]pentane-1,4-dicarboxylicacid
Smiles: OC(=O)C1(C)CC21CC2(C)C(=O)O

STK526129
Synonyms: 4-(morpholin-4-yl)quinazoline
Smiles: O1CCN(CC1)c1ncnc2c1cccc2

STK833264
Synonyms: 6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Smiles: CCN(C(=O)C1CCCc2c1[nH]c1c2cc(cc1)Cl)CC

STK833265
Synonyms: 6-(4-methylphenyl)-1,2-dihydropyridazine-3,4-dione
Smiles: Cc1ccc(cc1)c1[nH][nH]c(=O)c(=O)c1

STK526133
Synonyms: N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
Smiles: O=C(CCn1nc(cc1C)C)N/N=C/c1ccc(cc1)OCc1ccccc1

STK526135
Synonyms: N-[(1E)-3-[2-(3-nitrophenyl)hydrazinyl]-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1cccnc1)/NC(=O)c1ccccc1)NNc1cccc(c1)[N+](=O)[O-]

STK833268
Synonyms: N-{1-[(3-hydroxypropyl)amino]-3-methyl-1-oxobut-2-en-2-yl}benzamide
Smiles: OCCCNC(=O)C(=C(C)C)NC(=O)c1ccccc1

STK833271
Synonyms: 3,3-dimethyl-8-phenyl-6-(pyrrolidin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)OC2)c1ccccc1)N1CCCC1

STK526143
Synonyms: 4-benzyl-1-[(2,4-dimethylbenzyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Cc1ccc(c(c1)C)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCCC3

STK833273
Synonyms: 2-(4-benzyl-2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-(2-methylphenyl)acetamide
Smiles: O=C(CC1(CCOC(C1)(C)C)Cc1ccccc1)Nc1ccccc1C

STK526144
Synonyms: diethyl[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phosphonate
Smiles: CCOP(=O)(CN1C(=O)c2c(C1=O)cccc2)OCC

STK526148
Synonyms: 1-(ethylsulfanyl)-4-(4-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)OC)CCCCC3

STK833275
Synonyms: 2-phenyl-6-(propylsulfanyl)imidazo[1,2-a]pyridine
Smiles: CCCSc1ccc2n(c1)cc(n2)c1ccccc1

STK526149
Synonyms: 2-[(4-chloro-2,3,5,6-tetrafluorophenyl)sulfanyl]-1,3-benzothiazole
Smiles: Fc1c(Sc2nc3c(s2)cccc3)c(F)c(c(c1F)Cl)F

STK526151
Synonyms: 3-benzyl-2-(benzylsulfanyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1)Cc1ccccc1

STK526153
Synonyms: 1,1'-butane-1,4-diyldiazepane
Smiles: C(CN1CCCCCC1)CCN1CCCCCC1

STK833280
Synonyms: 6-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Cn1nc(c(c1C)[N+](=O)[O-])C)OC)c(C)[nH]n2

STK526160
Synonyms: 2-(phenylsulfanyl)-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(Sc2ccccc2)nc(cc1C(F)(F)F)C(F)(F)F

STK833281
Synonyms: 3-benzyl-2-(prop-2-yn-1-ylsulfanyl)quinazolin-4(3H)-one
Smiles: C#CCSc1nc2ccccc2c(=O)n1Cc1ccccc1

STK526161
Synonyms: 5-methyl-2-propylcyclohexanol
Smiles: CCCC1CCC(CC1O)C

STK526163
Synonyms: ethyl5-bromo-3-{[N-(1,3,4-thiadiazol-2-yl)glycyl]amino}-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)CNc1nncs1)cc(cc2)Br

STK833283
Synonyms: ethyl4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK526166
Synonyms: 3-(2-chlorophenyl)-5-methyl-N'-(propan-2-ylidene)-1,2-oxazole-4-carbohydrazide
Smiles: CC(=NNC(=O)c1c(C)onc1c1ccccc1Cl)C

STK833286
Synonyms: 4-amino-2-(ethylamino)-5-[(4-fluorophenyl)carbonyl]thiophene-3-carbonitrile
Smiles: CCNc1sc(c(c1C#N)N)C(=O)c1ccc(cc1)F

STK526168
Synonyms: 1-(3,4-dichlorophenyl)-6-hydroxy-3,4,4,6-tetramethyltetrahydropyrimidin-2(1H)-one
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(C)(O)CC(N1C)(C)C

STK526169
Synonyms: (2Z)-3-amino-3-{[2-(diethylamino)ethyl]amino}-2-[(Z)-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)methyl]prop-2-enenitrile
Smiles: CCN(CCN/C(=C(/C=C/1\Nc2c(C1=O)cccc2)\C#N)/N)CC

STK526171
Synonyms: N-(1,3-benzothiazol-2-yl)-2-{[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetamide
Smiles: N#Cc1c(SCC(=O)Nc2nc3c(s2)cccc3)nc(cc1c1ccc(cc1)Cl)c1ccccc1

STK526172
Synonyms: 2-[(benzylsulfanyl)methyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: O=c1[nH]c(CSCc2ccccc2)nc2c1C1(CCCCC1)Cc1c2cccc1

STK526174
Synonyms: (2E,4E)-5-(4-fluorophenyl)-3-methylpenta-2,4-dienoicacid
Smiles: C/C(=C\C(=O)O)/C=C/c1ccc(cc1)F

STK526176
Synonyms: 1-(3-fluoro-4-methoxyphenyl)-2-(morpholin-4-yl)ethanone
Smiles: COc1ccc(cc1F)C(=O)CN1CCOCC1

STK833290
Synonyms: (2E)-2-[(dimethylamino)methylidene]-3H-pyrrolo[1,2-a]indole-3,9(2H)-dione
Smiles: CN(/C=c/1\cc2n(c1=O)c1c(c2=O)cccc1)C

STK526183
Synonyms: 3-cyclohexyl-2-hydrazinyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK833291
Synonyms: ethyl5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[3,4-d][1,2,3]triazine-7-carboxylate
Smiles: CCOC(=O)c1sc(c2c1nnn(c2=O)CCc1ccccc1)C

STK526186
Synonyms: 2,2,6,6-tetramethyl-1-nitrosopiperidin-4-ol
Smiles: OC1CC(C)(C)N(C(C1)(C)C)N=O

STK526190
Synonyms: diethyl1,7-dioxa-4,10-diazacyclododecane-4,10-dicarboxylate
Smiles: CCOC(=O)N1CCOCCN(CCOCC1)C(=O)OCC

STK526192
Synonyms: 1H-[1]benzothieno[3,2-e]indole-1,2(3H)-dione
Smiles: O=C1Nc2c(C1=O)c1c(cc2)sc2c1cccc2

STK526193
Synonyms: (2E,4Z)-4-[(5-iodofuran-2-yl)methylidene]-3-methylpent-2-enedioicacid
Smiles: OC(=O)/C=C(/C(=C/c1ccc(o1)I)/C(=O)O)\C

STK526197
Synonyms: 4-amino-5-[(4-fluorophenyl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
Smiles: C=CCNc1sc(c(c1C#N)N)C(=O)c1ccc(cc1)F

STK526198
Synonyms: 2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Smiles: O=C1COc2c(N1)nccc2

STK833293
Synonyms: 6-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(c(c1)COc1ccc(cc1F)F)OC)c(C)nn2c1ccccc1

STK526201
Synonyms: 4-(2-amino-1,3-thiazol-4-yl)-4-(hydrazinylcarbonyl)-7-methyloctanoicacid
Smiles: NNC(=O)C(c1csc(n1)N)(CCC(=O)O)CCC(C)C

STK526204
Synonyms: ethyl2-(4-amino-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Smiles: CCOC(=O)C(C(F)(F)F)(c1ccc(c(c1)OC)N)O

STK526205
Synonyms: (3E)-4-(1H-tetrazol-5-yl)tetraaz-3-ene-1-carboxamide
Smiles: NC(=O)NN/N=N/c1nnn[nH]1

STK526217
Synonyms: 1-amino-5-ethyl-8,8-dimethyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxylicacid
Smiles: CCc1nc2sc(c(c2c2c1COC(C2)(C)C)N)C(=O)O

STK526219
Synonyms: ethyl6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2cccs2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C

STK526220
Synonyms: 2-(methylsulfanyl)-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK526221
Synonyms: 7-benzyl-8-chloro-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(Cc1ccccc1)c(n2)Cl)C

STK526224
Synonyms: 1-butyl-3-hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCCCc1nc(O)c(c2c1CCCC2)C#N

STK526226
Synonyms: 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylicacid
Smiles: Fc1ccc(cc1)c1nc2sc(c(c2c(c1)c1ccccc1)N)C(=O)O

STK833304
Synonyms: 2-(butylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCC3

STK526230
Synonyms: 2-bromo-1-(4-chlorophenyl)-2-phenylethanone
Smiles: Clc1ccc(cc1)C(=O)C(c1ccccc1)Br

STK833305
Synonyms: 9-amino-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncn(c3=O)N)C

STK526233
Synonyms: 4-(3-methylphenyl)-1-[(2-phenoxyethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1

STK833307
Synonyms: 2-(tert-butylsulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
Smiles: O=S(=O)(C(C)(C)C)c1ccc2n(c1)c1CCCCc1n2

STK526235
Synonyms: methyl[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]acetate
Smiles: COC(=O)CSc1nc(O)cc(n1)O

STK833308
Synonyms: (4Z)-1,1,1-trichloro-4-(hydroxyimino)-4-(4-nitrophenyl)butan-2-ol
Smiles: OC(C(Cl)(Cl)Cl)C/C(=N/O)/c1ccc(cc1)[N+](=O)[O-]

STK526239
Synonyms: 1,1'-ethane-1,2-diylbis[3-(4-nitrophenyl)urea]
Smiles: O=C(Nc1ccc(cc1)[N+](=O)[O-])NCCNC(=O)Nc1ccc(cc1)[N+](=O)[O-]

STK526241
Synonyms: N-[3-(nonyloxy)benzyl]naphthalen-1-amine
Smiles: CCCCCCCCCOc1cccc(c1)CNc1cccc2c1cccc2

STK833310
Synonyms: ethyl3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1N)C(=O)NCc1ccccc1)C

STK526244
Synonyms: 1-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
Smiles: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)Nc1cc(OC)c(c(c1)OC)OC

STK526250
Synonyms: (2,3,5,6-tetrachloropyridin-4-yl)phosphonicacid
Smiles: Clc1nc(Cl)c(c(c1Cl)P(=O)(O)O)Cl

STK833313
Synonyms: [2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
Smiles: OCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl

STK833315
Synonyms: 3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-[(E)-phenylmethylidene]propanehydrazide
Smiles: O=C(CCn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1ccccc1

STK833316
Synonyms: 1-(ethylsulfanyl)-4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)CCCCC3

STK833318
Synonyms: 1-(5-bromo-2-hydroxyphenyl)-1-oxopropan-2-yldimethylcarbamodithioate
Smiles: CC(C(=O)c1cc(Br)ccc1O)SC(=S)N(C)C

STK833319
Synonyms: 1-{[2-(4-methylphenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
Smiles: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1)C

STK526258
Synonyms: ethyl6-amino-4-(4-chlorophenyl)-5-cyano-2-({[3-cyano-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCN(Cc3c(c2C#N)c2cccs2)C)OC(=C(C1c1ccc(cc1)Cl)C#N)N

STK526260
Synonyms: dimethyl4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate
Smiles: COC(=O)N1CC(O)(C#N)CCN1C(=O)OC

STK526261
Synonyms: dipropan-2-yl(2-amino-1-{[(2-bromophenyl)carbonyl]amino}-2-oxoethyl)phosphonate
Smiles: CC(OP(=O)(C(C(=O)N)NC(=O)c1ccccc1Br)OC(C)C)C

STK833321
Synonyms: [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl](4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1coc2c1c(CN1CCOCC1)c(cc2)O

STK833323
Synonyms: N-[(1E)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]-1-phenylmethanamine
Smiles: [O-][N+](=O)c1ccc2c(c1)c1CCC/C(=N\Cc3ccccc3)/c1[nH]2

STK526268
Synonyms: 6-(4-acetylpiperazin-1-yl)-8-(furan-2-yl)-3,3-dimethyl-3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
Smiles: N#Cc1c(nc(c2c1CC(C)(C)SC2)c1ccco1)N1CCN(CC1)C(=O)C

STK833324
Synonyms: 2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
Smiles: CCc1noc(c1C1=Nc2c(C1C(=O)C(=O)N(C)C)cccc2)C

STK526270
Synonyms: 3-[2-(4-bromophenyl)-2-oxoethyl]-4-oxo-4,5,6,7-tetrahydro-3H-pyrimido[5,4-a]pyrrolizine-9-carbonitrile
Smiles: N#Cc1c2ncn(c(=O)c2c2n1CCC2)CC(=O)c1ccc(cc1)Br

STK526272
Synonyms: 2-tert-butyl-6-[(E)-(hydroxyimino)methyl]phenol
Smiles: O/N=C/c1cccc(c1O)C(C)(C)C

STK833326
Synonyms: ethyl4-({[(Z)-[(ethoxycarbonyl)imino](methoxy)methyl]carbamoyl}amino)benzoate
Smiles: CCOC(=O)/N=C(/NC(=O)Nc1ccc(cc1)C(=O)OCC)\OC

STK526275
Synonyms: 2-(tert-butylsulfanyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
Smiles: CC(Sc1ccc2n(c1)c1CCCCc1n2)(C)C

STK833327
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1C)CCCC3

STK526277
Synonyms: 2-amino-4-(4-ethoxyphenyl)-3-nitro-4,6,7,8-tetrahydro-5H-chromen-5-one
Smiles: CCOc1ccc(cc1)C1C2=C(CCCC2=O)OC(=C1[N+](=O)[O-])N

STK526278
Synonyms: 3-(benzylamino)-1-(diethylamino)-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: CCN(c1nc(NCc2ccccc2)c(c2c1CN(CC)CC2)C#N)CC

STK526283
Synonyms: 5-methyl-1-phenyl-2-(phenylsulfanyl)-1H-pyrrole-3-carbonitrile
Smiles: N#Cc1cc(n(c1Sc1ccccc1)c1ccccc1)C

STK526284
Synonyms: 2-[(2Z)-2-{[(E)-(4-hydroxyphenyl)diazenyl](phenyl)methylidene}hydrazinyl]-6-methylpyrimidin-4(3H)-one
Smiles: Oc1ccc(cc1)/N=N/C(=N\Nc1nc(C)cc(=O)[nH]1)/c1ccccc1

STK526285
Synonyms: (2Z)-2-hydroxy-4-oxo-4-phenyl-N-(pyridin-2-yl)but-2-enamide
Smiles: O=C(/C(=C/C(=O)c1ccccc1)/O)Nc1ccccn1

STK526286
Synonyms: {2-[(Z)-(1-hexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}aceticacid
Smiles: CCCCCCN1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)O)/C1=O

STK526288
Synonyms: N-(2-cyanoethyl)-4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-phenylbutanamide
Smiles: N#CCCN(c1ccccc1)C(=O)CCCN1C(=S)S/C(=C\c2ccc(cc2)CC)/C1=O

STK833330
Synonyms: 4-chloro-5-(4-ethoxybenzyl)-6-hydrazinyl-2-(methylsulfanyl)pyrimidine
Smiles: CCOc1ccc(cc1)Cc1c(Cl)nc(nc1NN)SC

STK526290
Synonyms: {(2E)-4-oxo-2-[(2Z)-{1-[4-(propan-2-yloxy)phenyl]ethylidene}hydrazinylidene]-1,3-thiazolidin-5-yl}aceticacid
Smiles: CC(Oc1ccc(cc1)/C(=N\N=C/1\SC(C(=O)N1)CC(=O)O)/C)C

STK526291
Synonyms: N-{(1E)-3-(tert-butylamino)-3-oxo-1-[4-(propan-2-yloxy)phenyl]prop-1-en-2-yl}benzamide
Smiles: CC(Oc1ccc(cc1)/C=C(\C(=O)NC(C)(C)C)/NC(=O)c1ccccc1)C

STK526292
Synonyms: (2Z,4Z)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoicacid
Smiles: OC(=O)/C=C(\C=C/c1cccnc1)/C

STK526293
Synonyms: 3-[(6-methoxy-2-methylquinolin-4-yl)amino]naphthalene-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(cc(n2)C)Nc1cc2ccccc2cc1C(=O)O

STK526297
Synonyms: 2,2,6,6-tetramethyl-4-phenylpiperidin-4-ol
Smiles: OC1(CC(C)(C)NC(C1)(C)C)c1ccccc1

STK526298
Synonyms: (2Z)-4-(4-chlorophenyl)-N'-(diphenylmethylidene)-2-hydroxy-4-oxobut-2-enehydrazide
Smiles: Clc1ccc(cc1)C(=O)/C=C(/C(=O)N/N=C(/c1ccccc1)\c1ccccc1)\O

STK833337
Synonyms: (5-hydroxy-1-benzofuran-3-yl)(4-methylphenyl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1coc2c1cc(O)cc2

STK526303
Synonyms: 2,2'-methanediylbis(4,6-di-tert-butylphenol)
Smiles: Oc1c(Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C

STK526304
Synonyms: ({4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)acetonitrile
Smiles: N#CCOc1nc(nc(n1)N(OC)C)N(C)C

STK526305
Synonyms: (4R,4aS)-2-amino-4-(2-nitrophenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C([C@H]([C@H]2C1=CCCC2)c1ccccc1[N+](=O)[O-])(C#N)C#N

STK833339
Synonyms: 3-(4-ethoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCOc1ccc(cc1)C1CC(=O)NC1=O

STK526310
Synonyms: (2E)-2-(1-phenylethylidene)hydrazinecarboximidamide
Smiles: C/C(=N\NC(=N)N)/c1ccccc1

STK526312
Synonyms: (2Z)-2-cyano-2-[2-(2-nitrophenyl)hydrazinylidene]ethanethioamide
Smiles: N#C/C(=N/Nc1ccccc1[N+](=O)[O-])/C(=S)N

STK526315
Synonyms: 2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethanamine
Smiles: NCCC1(CCOC(C1)C(C)C)c1ccccc1

STK526316
Synonyms: 3-(1-oxido-1,3-dithian-2-yl)pyridine
Smiles: O=S1CCCSC1c1cccnc1

STK526317
Synonyms: S-(3,5-di-tert-butyl-4-hydroxybenzyl)benzenecarbothioate
Smiles: O=C(c1ccccc1)SCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

STK526318
Synonyms: 3-[(2-aminoethyl)amino]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: NCCNc1nc(c2ccccc2)c2c(c1C#N)CCCC2

STK526321
Synonyms: (8S,8aR)-6-amino-8-(3-methoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1)OC)C(C(=C2C#N)N)(C#N)C#N

STK526324
Synonyms: 3-(4-chlorophenyl)-2-ethyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-3-ol
Smiles: CCC1SC2=NCCN2C1(O)c1ccc(cc1)Cl

STK526326
Synonyms: 3-butyl-2-hydrazinyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCCCn1c(NN)nc2c(c1=O)c1CCCCCc1s2

STK526327
Synonyms: 4-nitrobenzylleucinate
Smiles: NC(C(=O)OCc1ccc(cc1)[N+](=O)[O-])CC(C)C

STK833351
Synonyms: 1-bromo-3-(5,5-dimethyl-3-phenyl-4,5-dihydropyrazolo[4,3-a]carbazol-10(3H)-yl)propan-2-ol
Smiles: BrCC(Cn1c2ccccc2c2c1c1cnn(c1CC2(C)C)c1ccccc1)O

STK526333
Synonyms: 6-tert-butyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)OC)nc2c(c1c1cccs1)CC(CC2)C(C)(C)C

STK833353
Synonyms: [(2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetonitrile
Smiles: [O-][N+](=O)c1nc([nH]c1SCC#N)C

STK833356
Synonyms: N-[(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: Cc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)CNS(=O)(=O)c1ccccc1

STK526338
Synonyms: 1-(ethylsulfanyl)-4-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCC3

STK526339
Synonyms: 6,7-dichloro-5-[(2-fluorophenyl)amino]tetrazolo[1,5-a]pyridine-8-carbonitrile
Smiles: N#Cc1c(Cl)c(Cl)c(n2c1nnn2)Nc1ccccc1F

STK526341
Synonyms: butylN'-[(E)-(2-hydroxyphenyl)methylidene]carbamohydrazonothioate
Smiles: CCCCS/C(=N/N=C/c1ccccc1O)/N

STK526344
Synonyms: (4S,5R)-3-cyano-4-(3-methoxyphenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridin-2-olate
Smiles: N#CC1=C([O-])NC(=O)[C@@H]([C@H]1c1cccc(c1)OC)[n+]1ccccc1

STK526345
Synonyms: 1-benzyl-N-[3-(cyclopentyloxy)-4-methoxyphenyl]piperidine-3-carboxamide
Smiles: COc1ccc(cc1OC1CCCC1)NC(=O)C1CCCN(C1)Cc1ccccc1

STK526346
Synonyms: 2,10-dimethoxy-1,4,8,11-tetrahydrodipyridazino[1,2-a:1',2'-d][1,2,4,5]tetrazine
Smiles: COC1=CCN2N(C1)CN1N(C2)CC=C(C1)OC

STK526347
Synonyms: 5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-ol
Smiles: CCc1nc2sc3c(c2c2c1CCCC2)ncnc3O

STK833359
Synonyms: N'-(6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)furan-2-carbohydrazide
Smiles: O=C(c1ccco1)NNc1ncnc2c1c1CC(C)(C)OCc1s2

STK526354
Synonyms: dipropan-2-yl{2-amino-2-oxo-1-[(phenylcarbonyl)amino]ethyl}phosphonate
Smiles: CC(OP(=O)(C(C(=O)N)NC(=O)c1ccccc1)OC(C)C)C

STK526356
Synonyms: N'-[(1E)-1-(4-methoxyphenyl)ethylidene]-4,6-dimethylpyrimidine-2-carbohydrazide
Smiles: COc1ccc(cc1)/C(=N/NC(=O)c1nc(C)cc(n1)C)/C

STK526357
Synonyms: N,N-dimethyl-N'-[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]propane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C

STK526358
Synonyms: (3Z)-3-({[2-(diethylamino)ethyl]amino}methylidene)-1,3-dihydro-2H-indol-2-one
Smiles: CCN(CCN/C=C/1\C(=O)Nc2c1cccc2)CC

STK833364
Synonyms: 6-fluoro-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
Smiles: Fc1ccc2c(c1)c1CCCC(=O)c1n2C

STK526366
Synonyms: 3-chloro-1-[(2-hydroxyethyl)amino]-7-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
Smiles: OCCNc1nc(Cl)c(c2c1CN(C)CC2)C#N

STK526368
Synonyms: 1-{5,5-dimethyl-3-[(naphthalen-1-ylcarbamoyl)amino]-2-thioxo-1,3-thiazolidin-4-yl}-1-hydroxy-3-(4-methylphenyl)urea(non-preferredname)
Smiles: O=C(Nc1cccc2c1cccc2)NN1C(=S)SC(C1N(C(=O)Nc1ccc(cc1)C)O)(C)C

STK833366
Synonyms: N,N-diethyl-5H-dibenzo[b,f]azepine-5-carboxamide
Smiles: CCN(C(=O)N1c2ccccc2C=Cc2c1cccc2)CC

STK833368
Synonyms: 7-methyl-3-phenyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
Smiles: Cc1ccc2c(c1)c1CCC3C(=NNC3c3ccccc3)c1[nH]2

STK526374
Synonyms: 2,6-di-tert-butyl-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenol
Smiles: CC(c1cc(cc(c1O)C(C)(C)C)C12CC3CC(C2)CC(C1)C3)(C)C

STK833370
Synonyms: N~1~-[(E)-(3-nitrophenyl)methylidene]-4-phenyl-1H-imidazole-1,2-diamine
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/n1cc(nc1N)c1ccccc1

STK526379
Synonyms: 1-(2-chlorobenzyl)-8-[(1-hydroxypropan-2-yl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Nc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1Cl)C

STK526383
Synonyms: 3-({6-[(5E)-5-(3-{6-[(3-carboxyphenyl)amino]-6-oxohexyl}-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoicacid
Smiles: O=C(Nc1cccc(c1)C(=O)O)CCCCCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCCCCC(=O)Nc2cccc(c2)C(=O)O)/C1=O

STK833375
Synonyms: 3-[(2Z)-2-hydrazinylidene-3,3-dimethylbutyl]quinoxalin-2(1H)-one
Smiles: N/N=C(\C(C)(C)C)/Cc1nc2ccccc2[nH]c1=O

STK526387
Synonyms: 4-benzyl-1-[(2-phenoxyethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Smiles: O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCCOc1ccccc1

STK526390
Synonyms: 8-aminoquinoline-2-carboxylicacid
Smiles: OC(=O)c1ccc2c(n1)c(N)ccc2

STK526391
Synonyms: 6-{(Z)-[3-(4-fluorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2,3-dimethoxybenzoicacid
Smiles: COc1c(OC)ccc(c1C(=O)O)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)F

STK526394
Synonyms: 2-amino-4-(2,4-difluorophenyl)-6-methyl-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Smiles: N#CC1=C(N)C(C(C2C1=CCC(C2)C)c1ccc(cc1F)F)(C#N)C#N

STK833377
Synonyms: 10-methoxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
Smiles: COC1Cc2ccccc2N(c2c1cccc2)C(=O)N

STK526396
Synonyms: 4-[(2,5-dioxopyrrolidin-1-yl)amino]-4-oxobutanoicacid
Smiles: O=C(NN1C(=O)CCC1=O)CCC(=O)O

STK833379
Synonyms: 6'-amino-2'-benzyl-2-oxo-1,1',2,2',3',8a'-hexahydro-7'H-spiro[indole-3,8'-isoquinoline]-5',7',7'-tricarbonitrile
Smiles: N#CC1=C(N)C(C2(C3C1=CCN(C3)Cc1ccccc1)C(=O)Nc1c2cccc1)(C#N)C#N

STK526400
Synonyms: 4b-phenyl-4b,5-dihydro-11H-isoindolo[2,1-a]benzimidazol-11-one
Smiles: O=C1c2ccccc2C2(N1c1ccccc1N2)c1ccccc1

STK833382
Synonyms: prop-2-en-1-yl(2Z)-3-(naphthalen-1-yl)-2-[(phenylcarbonyl)amino]prop-2-enoate
Smiles: C=CCOC(=O)/C(=C/c1cccc2c1cccc2)/NC(=O)c1ccccc1

STK526402
Synonyms: 5-(tert-butylsulfonyl)thiophene-2-carboxylicacid
Smiles: OC(=O)c1ccc(s1)S(=O)(=O)C(C)(C)C

STK526403
Synonyms: 3-(1,3-oxazol-5-yl)pyridine
Smiles: c1ccc(cn1)c1cnco1

STK526404
Synonyms: 2,2-dimethyl-5,8-di(morpholin-4-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazine
Smiles: CC1(C)SCc2c(C1)c1c(nc2N2CCOCC2)sc2c1nnnc2N1CCOCC1

STK526412
Synonyms: methoxy(diphenyl)aceticacid
Smiles: COC(c1ccccc1)(c1ccccc1)C(=O)O

STK526415
Synonyms: 2,2-dimethyltetrahydro-2H-pyran-4-carbothioamide
Smiles: NC(=S)C1CCOC(C1)(C)C

STK526419
Synonyms: N,N'-pyridine-2,6-diyldipyridine-3-carboximidamide
Smiles: N=C(c1cccnc1)Nc1cccc(n1)NC(=N)c1cccnc1

STK526420
Synonyms: 3-(cycloheptylcarbamoyl)-1,2,2-trimethylcyclopentanecarboxylicacid
Smiles: O=C(C1CCC(C1(C)C)(C)C(=O)O)NC1CCCCCC1

STK833390
Synonyms: methyl1H-indole-7-carboxylate
Smiles: COC(=O)c1cccc2c1[nH]cc2

STK833391
Synonyms: 3-{(2Z)-2-[(acetyloxy)imino]propyl}-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylacetate
Smiles: CC(=O)OC1(C/C(=N\OC(=O)C)/C)c2ccccc2N(C1=O)C

STK526426
Synonyms: 4-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCn1c(=O)c2c3CCCCCc3sc2n2c1nnc2