FULL DB

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

STK039060
Synonyms: 1-[4-(1H-benzotriazol-1-ylsulfonyl)-2-nitrophenyl]pyrrolidin-2-one
Smiles: O=C1CCCN1c1ccc(cc1[N+](=O)[O-])S(=O)(=O)n1nnc2c1cccc2

STK039068
Synonyms: (2,4-dibromo-6-methylphenoxy)acetylchloride
Smiles: ClC(=O)COc1c(C)cc(cc1Br)Br

STK039072
Synonyms: N-(2-bromo-4,5-dimethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
Smiles: O=C(Nc1cc(C)c(cc1Br)C)COc1ccc2c(c1)CCCC2

STK039074
Synonyms: 4-hydrazinyl-6,6-dimethyl-2-phenyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: NNc1nc(nc2c1c1CC(C)(C)OCc1s2)c1ccccc1

STK039099
Synonyms: N~2~-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylquinolin-4-yl)glycinamide
Smiles: COc1cc(CCNCC(=O)Nc2cc(C)nc3c2cccc3)ccc1OC

STK039109
Synonyms: 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)-N-methylacetamide
Smiles: CNC(=O)COc1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)Cl

STK039116
Synonyms: methyl4-{4-[(4-chlorophenyl)amino]phthalazin-1-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Cl

STK039136
Synonyms: 4-(furan-2-ylmethyl)thiomorpholine-3,5-dione
Smiles: O=C1CSCC(=O)N1Cc1ccco1

STK039161
Synonyms: 5-chloro-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
Smiles: COc1cc(C)ccc1NC(=O)c1cc(Cl)ccc1OC

STK039179
Synonyms: N-{[3-(butanoylamino)phenyl]carbamothioyl}-2-nitrobenzamide
Smiles: CCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]

STK039183
Synonyms: 6-oxo-N-phenyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1,4,5,6-tetrahydropyrimidine-4-carboxamide
Smiles: O=C1NC(=NC(C1)C(=O)Nc1ccccc1)Nc1nc(C)c2c(n1)cc(c(c2)C)C

STK039198
Synonyms: 2-[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-1-phenylethanone
Smiles: Nc1nc(CC(=O)c2ccccc2)nc(n1)N1CCOCC1

STK039201
Synonyms: 7-bromo-9-(hexadecylamino)-3,3-dimethyl-3,4-dihydroacridin-1(2H)-one
Smiles: CCCCCCCCCCCCCCCCNc1c2C(=O)CC(Cc2nc2c1cc(Br)cc2)(C)C

STK039223
Synonyms: N-(2-bromoethyl)-4-chlorobenzenesulfonamide
Smiles: BrCCNS(=O)(=O)c1ccc(cc1)Cl

STK039230
Synonyms: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(thiophen-2-yl)ethanone
Smiles: O=C(c1cccs1)CSc1nc2c(s1)cccc2

STK039241
Synonyms: [(2-bromophenyl)carbonyl](3-butyl-1,2,3-oxadiazol-3-ium-5-yl)azanide
Smiles: CCCC[n+]1noc(c1)[N-]C(=O)c1ccccc1Br

STK039257
Synonyms: 3-acetyl-6-bromoquinoline-4-carboxylicacid
Smiles: Brc1ccc2c(c1)c(C(=O)O)c(cn2)C(=O)C

STK039271
Synonyms: (2Z)-2-(hydroxyimino)-N-(pyridin-2-yl)-2H-chromene-3-carboxamide
Smiles: O/N=c/1\oc2ccccc2cc1C(=O)Nc1ccccn1

STK039285
Synonyms: N-butylpyridine-4-carboxamide
Smiles: CCCCNC(=O)c1ccncc1

STK039340
Synonyms: tetraethyl(piperazine-1,4-diyldimethanediyl)bis(phosphonate)
Smiles: CCOP(=O)(CN1CCN(CC1)CP(=O)(OCC)OCC)OCC

STK039350
Synonyms: potassium4-[(E)-morpholin-4-yldiazenyl]naphthalene-1-sulfonate
Smiles: [O-]S(=O)(=O)c1ccc(c2c1cccc2)/N=N/N1CCOCC1.[K+]

STK039354
Synonyms: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2E)-3-phenylprop-2-en-1-yl]piperidine-4-carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)C/C=C/c1ccccc1)(C)C)C

STK039370
Synonyms: 1-ethoxy-3-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propan-2-ol
Smiles: C=CCc1ccc(c(c1)OC)OCC(COCC)O

STK039378
Synonyms: 3,5-dibromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-iodobenzamide
Smiles: Brc1cc(Br)c(c(c1)C(=O)NC1=NCCS1)I

STK039380
Synonyms: methylN-(4-{[4-(2-cyclohexylethoxy)phenyl]amino}-4-oxobutanoyl)glycinate
Smiles: COC(=O)CNC(=O)CCC(=O)Nc1ccc(cc1)OCCC1CCCCC1

STK039438
Synonyms: N-{[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}pyridine-3-carboxamide
Smiles: S=C(NC(=O)c1cccnc1)NCCC1=CCCCC1

STK039453
Synonyms: 2-methoxy-4-{(Z)-[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenylpropanoate
Smiles: CCC(=O)Oc1ccc(cc1OC)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N

STK039460
Synonyms: N~2~-[3-oxo-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-yl]glycinamide
Smiles: NC(=O)CNC1N(CCc2ccccc2)C(=O)c2c1cccc2

STK039484
Synonyms: ethyl[(4-amino-7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc(N)c2c(n1)sc1c2CCN(C1)Cc1ccccc1

STK039541
Synonyms: N'-acetyltricyclo[3.3.1.1~3,7~]decane-1-carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NNC(=O)C

STK039548
Synonyms: 3,5-dibromo-2-(propanoylamino)benzoicacid
Smiles: CCC(=O)Nc1c(Br)cc(cc1C(=O)O)Br

STK039558
Synonyms: 8-(butan-2-ylsulfanyl)-7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC(Sc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)[nH]c(=O)n2C)C

STK039568
Synonyms: 2-(hydroxymethyl)benzoicacid
Smiles: OCc1ccccc1C(=O)O

STK039577
Synonyms: 3-ethyl-1-methyl-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: CCn1c(=O)c2c3CCCc3sc2n(c1=O)C

STK039588
Synonyms: 2-(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1cc(ccc1OCCSc1ccc(cc1)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3

STK039595
Synonyms: 4,7-bis(4-chlorophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3,8-trione
Smiles: Clc1ccc(cc1)C12C3C(=O)OC(=O)C3C(C2=O)(C(=C1c1ccccc1)c1ccccc1)c1ccc(cc1)Cl

STK039616
Synonyms: (2E)-3-{1-[2-(3-methoxyphenoxy)ethyl]-2-methyl-1H-indol-3-yl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: COc1cccc(c1)OCCn1c2ccccc2c(c1C)/C=C(\c1ccc(cc1)[N+](=O)[O-])/C#N

STK039626
Synonyms: 1-(4-fluorophenyl)-3-[4-(phenylamino)phenyl]thiourea
Smiles: S=C(Nc1ccc(cc1)F)Nc1ccc(cc1)Nc1ccccc1

STK039674
Synonyms: ethyl8,10-dimethyl-1,3,5,7-tetraoxo-2,6-bis(2-propoxyphenyl)dodecahydro-4,8-ethenopyrrolo[3,4-f]isoindole-9-carboxylate
Smiles: CCCOc1ccccc1N1C(=O)C2C(C1=O)C1(C)C(=C(C2C2C1C(=O)N(C2=O)c1ccccc1OCCC)C)C(=O)OCC

STK039690
Synonyms: 2-{[5-(1H-benzimidazol-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-chlorophenyl)ethanonehydrobromide
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(o1)Sc1nc2c([nH]1)cccc2.Br

STK039703
Synonyms: N'-[(E)-(4-{3-[4-(butan-2-yl)phenoxy]propoxy}phenyl)methylidene]pyridine-4-carbohydrazide
Smiles: CCC(c1ccc(cc1)OCCCOc1ccc(cc1)/C=N/NC(=O)c1ccncc1)C

STK039704
Synonyms: 4-aminobiphenyl-3-carboxylicacid
Smiles: OC(=O)c1cc(ccc1N)c1ccccc1

STK039733
Synonyms: 2-methyl-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)n1c(C)nc2c(c1=O)c1CCCc1s2

STK039744
Synonyms: 2-(dimethylamino)ethyl4-fluorobenzoate
Smiles: CN(CCOC(=O)c1ccc(cc1)F)C

STK039762
Synonyms: 3-{[4-(phenylsulfonyl)piperazin-1-yl]methyl}-1H-indole
Smiles: O=S(=O)(c1ccccc1)N1CCN(CC1)Cc1c[nH]c2c1cccc2

STK039785
Synonyms: 2,3-dihydroxy-4-oxobutanoicacid-2-(5-methyl-1H-indol-3-yl)ethanamine(1:1)
Smiles: O=CC(C(C(=O)O)O)O.NCCc1c[nH]c2c1cc(C)cc2

STK039795
Synonyms: 3-{[(E)-(4-methoxynaphthalen-1-yl)methylidene]amino}phenol
Smiles: COc1ccc(c2c1cccc2)/C=N/c1cccc(c1)O

STK039801
Synonyms: (4Z)-1-(3-chlorophenyl)-4-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: COc1cc(cc(c1O)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)Cl)[N+](=O)[O-]

STK039809
Synonyms: 3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: CCn1c(/C=C/c2ccco2)nc2c(c1=O)cccc2

STK039814
Synonyms: (2Z)-2-[2-(4-bromophenyl)hydrazinylidene]-6-chloro-N-(3-hydroxy-4-methylphenyl)-2H-chromene-3-carboxamide
Smiles: Brc1ccc(cc1)N/N=c/1\oc2ccc(cc2cc1C(=O)Nc1ccc(c(c1)O)C)Cl

STK039815
Synonyms: (3,5-di-tert-butyl-4-hydroxyphenyl)-N-(ethoxymethyl)-N,N-dimethylmethanaminium
Smiles: CCOC[N+](Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)(C)C

STK039823
Synonyms: 2-cyano-N-(diethylcarbamoyl)-2-ethylbutanamide
Smiles: CCN(C(=O)NC(=O)C(C#N)(CC)CC)CC

STK039888
Synonyms: N-(3-methylbutyl)-N'-(thiophen-2-ylmethyl)butanediamide
Smiles: CC(CCNC(=O)CCC(=O)NCc1cccs1)C

STK039893
Synonyms: tert-butyl(2E)-2-(4-hydroxy-3-iodo-5-methoxybenzylidene)hydrazinecarboxylate
Smiles: COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(c1O)I

STK039903
Synonyms: 4-methyl-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylicacid
Smiles: O=C(C1CC(=CCC1C(=O)O)C)Nc1ccccc1

STK039908
Synonyms: 2-(acryloylamino)-3-chloro-2-methylpropane-1-sulfonate
Smiles: C=CC(=O)NC(CS(=O)(=O)[O-])(CCl)C

STK039914
Synonyms: methyl3-[4-(benzyloxy)phenyl]-3-{[(5-propoxy-1H-indol-2-yl)carbonyl]amino}propanoate
Smiles: CCCOc1ccc2c(c1)cc([nH]2)C(=O)NC(c1ccc(cc1)OCc1ccccc1)CC(=O)OC

STK039920
Synonyms: 6-(4-methylphenyl)-5-[(3,3,4-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]imidazo[2,1-b][1,3]thiazole
Smiles: Cc1ccc(cc1)c1nc2n(c1CN1CC3CC1C(C)C(C3)(C)C)ccs2

STK039959
Synonyms: N-(prop-2-en-1-yl)-N'-(tetrahydrofuran-2-ylmethyl)butanediamide
Smiles: C=CCNC(=O)CCC(=O)NCC1CCCO1

STK039971
Synonyms: N-[4-oxo-2-(phenylamino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]formamide
Smiles: O=CNn1c(Nc2ccccc2)nc2c(c1=O)c1CCCCc1s2

STK039976
Synonyms: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Smiles: N#Cc1c(NC(=O)CSc2nncn2C)sc2c1CCC2

STK039979
Synonyms: 10-acetyl-11-(4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Smiles: Oc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c(N1C(=O)C)cccc2

STK039988
Synonyms: N-[(4-ethylcyclohexyl)carbonyl]valine
Smiles: CCC1CCC(CC1)C(=O)NC(C(=O)O)C(C)C

STK040016
Synonyms: 3-methyl-1-phenyl-5-sulfanyl-1H-pyrazole-4-carbaldehyde
Smiles: O=Cc1c(C)nn(c1S)c1ccccc1

STK040049
Synonyms: 8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dithione
Smiles: S=c1[nH]c(=S)c2c([nH]1)c1cc3COC(Cc3nc1s2)(C)C

STK040059
Synonyms: 2,2'-(methanediyldi-1,3-thiazole-2,4-diyl)bis(3H-benzo[f]chromen-3-one)
Smiles: O=c1oc2ccc3c(c2cc1c1csc(n1)Cc1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1)cccc3

STK040077
Synonyms: 3-[(3-hydroxypropyl)amino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: OCCCNC1CC(=O)N(C1=O)c1ccc(cc1)OCCC

STK040083
Synonyms: 4-{(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzamide
Smiles: NC(=O)c1ccc(cc1)N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])C(=S)N

STK040086
Synonyms: N-[2-(dimethylamino)ethyl]-N'-(4-phenoxyphenyl)butanediamide
Smiles: CN(CCNC(=O)CCC(=O)Nc1ccc(cc1)Oc1ccccc1)C

STK040118
Synonyms: N,1-dibenzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)Cc1ccccc1)NCc1ccccc1

STK040141
Synonyms: 2-(3-methylphenoxy)-N-[4-(phenylamino)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Nc1ccccc1)COc1cccc(c1)C

STK040147
Synonyms: 3-(naphthalen-1-yl)-2-[5-(2-nitrophenyl)furan-2-yl]-2,3-dihydroquinazolin-4(1H)-one
Smiles: O=C1c2ccccc2NC(N1c1cccc2c1cccc2)c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK040149
Synonyms: (5Z)-3-methyl-5-{(5Z)-5-[(2E)-2-(3-methyl-5-nitro-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CN1C(=S)S/C(=c/2\s/c(=C\C=c/3\sc4c(n3C)cc(cc4)[N+](=O)[O-])/c(=O)n2c2ccccc2)/C1=O

STK040165
Synonyms: 4-fluoro-N-[(E)-(2-methyl-1H-indol-3-yl)methylidene]aniline
Smiles: Fc1ccc(cc1)/N=C/c1c(C)[nH]c2c1cccc2

STK040175
Synonyms: (2E)-N-benzyl-2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccc(cc1C)C)/C(=O)NCc1ccccc1

STK040188
Synonyms: 2-iodo-5-{[(3-methylphenoxy)acetyl]amino}benzoicacid
Smiles: O=C(Nc1ccc(c(c1)C(=O)O)I)COc1cccc(c1)C

STK040193
Synonyms: 1-[(6-ethoxynaphthalen-2-yl)sulfonyl]azepane
Smiles: CCOc1ccc2c(c1)ccc(c2)S(=O)(=O)N1CCCCCC1

STK040200
Synonyms: 2-chloro-4-({[(3-iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1cccc(c1)I)Nc1ccc(c(c1)Cl)C(=O)O

STK040202
Synonyms: 2-({2-[(3,4-dihydroxyphenyl)carbonyl]hydrazinyl}carbonyl)benzoicacid
Smiles: O=C(c1ccc(c(c1)O)O)NNC(=O)c1ccccc1C(=O)O

STK040214
Synonyms: 4-ethoxy-N-(2-methoxy-5-methylphenyl)benzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1cc(C)ccc1OC

STK040255
Synonyms: (6Z)-5,5-diethyl-6-[(4-methoxyphenyl)imino]-3-methyldihydropyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1)/N=C/1\NC(=O)N(C(=O)C1(CC)CC)C

STK040256
Synonyms: (2E)-2-cyano-3-{3-[(4-fluorobenzyl)oxy]phenyl}-N-(2-methylphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)OCc1ccc(cc1)F)/C(=O)Nc1ccccc1C

STK040263
Synonyms: 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Smiles: Nc1ncnc2c1cnn2Cc1ccccc1

STK040324
Synonyms: N-[3-(3,3-dichloroprop-2-en-1-yl)-4-hydroxy-2-methylquinolin-6-yl]acetamide
Smiles: CC(=O)Nc1ccc2c(c1)c(O)c(c(n2)C)CC=C(Cl)Cl

STK040326
Synonyms: (4Z)-5-methyl-4-[1-(4-nitrophenyl)ethylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C(\c1ccc(cc1)[N+](=O)[O-])/C)c1ccccc1

STK040327
Synonyms: N-[2-(dimethylamino)ethyl]-1-(2-hydroxybenzyl)piperidine-4-carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccccc1O)C

STK040339
Synonyms: 2-{[4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc(ccc1OC)C1(CCOCC1)CN1CCc2c(C1C)cc(c(c2)OC)OC

STK040350
Synonyms: ethyl{[5-oxo-4-(phenylcarbonyl)-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CCCC3

STK040361
Synonyms: ethyl2-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(OC)c(c(c2)OC)OC)sc2c1CCC2

STK040368
Synonyms: N-acetyl-N-[1-(4-bromophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide
Smiles: N#CC1=C(Oc2c(C1c1ccc(cc1)Br)c1ccccc1cc2)N(C(=O)C)C(=O)C

STK040371
Synonyms: (5Z)-5-(2-bromo-5-ethoxy-4-methoxybenzylidene)-3-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
Smiles: CCOc1cc(/C=C/2\NC(=S)N(C2=O)c2ccc(cc2)OC)c(cc1OC)Br

STK040392
Synonyms: 2-(piperazin-1-yl)-4,6-di(pyrrolidin-1-yl)-1,3,5-triazine
Smiles: N1CCN(CC1)c1nc(nc(n1)N1CCCC1)N1CCCC1

STK040398
Synonyms: 3-(3,5-dimethyl-1H-pyrazol-1-yl)dihydrofuran-2,5-dione
Smiles: Cc1cc(nn1C1CC(=O)OC1=O)C

STK040451
Synonyms: N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)CC

STK040453
Synonyms: 2,2'-disulfanediylbis(3,4,6-trichlorophenol)
Smiles: Clc1cc(Cl)c(c(c1O)SSc1c(O)c(Cl)cc(c1Cl)Cl)Cl

STK040470
Synonyms: 3-(2-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
Smiles: Fc1ccc(cc1)c1onc(n1)c1ccccc1Br

STK040485
Synonyms: 4,4'-[carbonylbis(benzene-3,1-diylimino)]bis(4-oxobutanoicacid)
Smiles: O=C(Nc1cccc(c1)C(=O)c1cccc(c1)NC(=O)CCC(=O)O)CCC(=O)O

STK040510
Synonyms: {5-hydroxy-6-methyl-4-[(E)-(naphthalen-1-ylimino)methyl]pyridin-3-yl}methyldihydrogenphosphate
Smiles: Cc1ncc(c(c1O)/C=N/c1cccc2c1cccc2)COP(=O)(O)O

STK040538
Synonyms: ethyl(2E)-3-{1-[2-(4-chlorophenoxy)ethyl]-2-methyl-1H-indol-3-yl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)Cl)/C#N

STK040542
Synonyms: (4Z)-4-[(2-hydroxynaphthalen-1-yl)methylidene]-2-phenyl-1,3-oxazol-5(4H)-one
Smiles: O=C1OC(=N/C/1=C\c1c(O)ccc2c1cccc2)c1ccccc1

STK040563
Synonyms: N-benzyl-1-(2,3-dimethoxybenzyl)-N-methylpiperidine-4-carboxamide
Smiles: COc1c(cccc1OC)CN1CCC(CC1)C(=O)N(Cc1ccccc1)C

STK040590
Synonyms: 7-hydroxy-2-oxo-N-(pyridin-2-yl)-2H-chromene-3-carboxamide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1ccccn1

STK040594
Synonyms: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
Smiles: CC(=O)N(c1ccccc1)c1scc(n1)c1ccc(cc1)C1CCCCC1

STK040641
Synonyms: {4-[(5,7-dinitroquinolin-8-yl)amino]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)Nc1c(cc(c2c1nccc2)[N+](=O)[O-])[N+](=O)[O-]

STK040654
Synonyms: (1E)-N-hydroxy-1-(1-methyl-1H-indol-3-yl)propan-1-imine
Smiles: CC/C(=N\O)/c1cn(c2c1cccc2)C

STK040667
Synonyms: 4-[(2E)-2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]-2-hydroxybenzoicacid
Smiles: Clc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccc(c(c2)O)C(=O)O)/C1=O)C

STK040719
Synonyms: (6Z)-5-imino-6-{3-[2-(3-methylphenoxy)ethoxy]benzylidene}-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)OCCOc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK040776
Synonyms: (6Z)-6-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCc1cccc2c1cccc2)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK040833
Synonyms: N-(4-{(2Z)-2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK040850
Synonyms: 2-chloro-N'-{(1E)-1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}benzohydrazide
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)/C(=N/NC(=O)c1ccccc1Cl)/C)CC

STK040851
Synonyms: N-{4-[(butylcarbamoyl)sulfamoyl]phenyl}-2-phenoxyacetamide
Smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccccc1

STK040860
Synonyms: N-benzyl-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)hydrazinecarbothioamide
Smiles: S=C(NCc1ccccc1)NNC(=O)C12CC3CC(C2)CC(C1)C3

STK040884
Synonyms: 1-(diethoxymethyl)-1H-benzimidazole
Smiles: CCOC(n1cnc2c1cccc2)OCC

STK040888
Synonyms: 3-{(2E)-2-[4-(benzyloxy)-3-methoxybenzylidene]hydrazinyl}-6-chloropyridazine
Smiles: COc1cc(/C=N/Nc2ccc(nn2)Cl)ccc1OCc1ccccc1

STK040892
Synonyms: (6Z)-6-[4-(dimethylamino)benzylidene]-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)N(C)C)C(F)(F)F

STK040896
Synonyms: N-(3-oxo-2-propyl-2,3-dihydro-1H-isoindol-1-yl)glycine
Smiles: CCCN1C(=O)c2c(C1NCC(=O)O)cccc2

STK040901
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl4-bromobenzoate
Smiles: O=C(c1ccc(cc1)Br)OC1CN2CCC1CC2

STK040930
Synonyms: 2-chloro-4-({[(2-iodophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccccc1I)Nc1ccc(c(c1)Cl)C(=O)O

STK040942
Synonyms: (2Z)-2-[2-(4-bromophenyl)hydrazinylidene]-N-(3-hydroxy-4-methylphenyl)-6-nitro-2H-chromene-3-carboxamide
Smiles: Brc1ccc(cc1)N/N=c/1\oc2ccc(cc2cc1C(=O)Nc1ccc(c(c1)O)C)[N+](=O)[O-]

STK040945
Synonyms: 5-(4-bromophenyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
Smiles: Fc1ccc(cc1)c1noc(n1)c1ccc(cc1)Br

STK040952
Synonyms: 5-{[(E)-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl}methylidene]amino}pyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc(/C=N/c2c[nH]c(=O)[nH]c2=O)cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl

STK040957
Synonyms: 4-{(E)-[(2-methoxyphenyl)imino]methyl}benzene-1,3-diol
Smiles: COc1ccccc1/N=C/c1ccc(cc1O)O

STK040986
Synonyms: 1-[(4-butoxyphenyl)sulfonyl]-5-nitro-1H-benzimidazole
Smiles: CCCCOc1ccc(cc1)S(=O)(=O)n1cnc2c1ccc(c2)[N+](=O)[O-]

STK041008
Synonyms: 4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-ylmethyl)-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)C)NCc1ccccn1

STK041016
Synonyms: 4-hydroxy-7-methyl-9-(thiophen-3-yl)thieno[2,3-b:4,5-b']dipyridin-2(1H)-one
Smiles: Cc1nc2sc3c(c2c(c1)c1cscc1)[nH]c(=O)cc3O

STK041021
Synonyms: 2-(cyclohexyloxy)-4,6-diphenylpyridine-3-carbonitrile
Smiles: N#Cc1c(OC2CCCCC2)nc(cc1c1ccccc1)c1ccccc1

STK041039
Synonyms: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylicacid
Smiles: OC(=O)c1cc(/C=C/c2ccc3c(c2)OCO3)nc2c1cccc2

STK041048
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)Cc2cccnc2)C)ccc1OC

STK041056
Synonyms: N-[6-methyl-3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccccc1)NC(=O)c1cccnc1

STK041068
Synonyms: 8-amino-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N)nc2c1c(=O)[nH]c(=O)n2C

STK041098
Synonyms: 6-(furan-2-yl)-2-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)C23CC4CC(C3)CC(C2)C4)nc(cc1C(F)(F)F)c1ccco1

STK041102
Synonyms: [5-ethyl-3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methoxyphenyl)methanone
Smiles: CCC1CCC2=NN(C(C2C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)OC

STK041125
Synonyms: N-[3-(benzyloxy)benzyl]-N-methylbutan-1-amine
Smiles: CCCCN(Cc1cccc(c1)OCc1ccccc1)C

STK041177
Synonyms: N-[2-(dimethylamino)ethyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccccn1)C

STK041183
Synonyms: 1-(2,4-dinitrophenyl)-4-[(3-nitrophenyl)sulfonyl]piperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK041190
Synonyms: 3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1-(propan-2-yl)-1,3-dihydro-2H-indol-2-one
Smiles: O=C1CC(C)(C)OCC1C1(O)C(=O)N(c2c1cccc2)C(C)C

STK041200
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethoxybenzyl)piperidine-4-carboxamide
Smiles: CCOc1ccc(cc1)CN1CCC(CC1)C(=O)NCCc1ccc(c(c1)OC)OC

STK041201
Synonyms: 5-[(4-carboxybutanoyl)amino]benzene-1,3-dicarboxylicacid
Smiles: OC(=O)CCCC(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O

STK041218
Synonyms: (2E)-3-(4-methoxyphenyl)-N-{4-[(4-methoxyphenyl)sulfamoyl]phenyl}prop-2-enamide
Smiles: COc1ccc(cc1)/C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)OC

STK041265
Synonyms: N-{4-[(2Z)-2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK041269
Synonyms: 2-amino-6-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
Smiles: N#Cc1c(N)sc2c1CCN(C2)C(C)(C)C

STK041299
Synonyms: (6Z)-6-{3-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCOc1cccc(c1)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK041333
Synonyms: 1-(3-ethoxy-2-methoxybenzyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
Smiles: CCOc1cccc(c1OC)CN1CCC(CC1)C(=O)NCc1ccccn1

STK041374
Synonyms: 1,3,7-trimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,4,5,7-tetrahydro-1H-purine-2,6-dione
Smiles: O=C1N(C)C(=O)N(C2C1N(C)C(=N2)NCCN1CCOCC1)C

STK041399
Synonyms: [4-(biphenyl-4-yl)-2-(4-chlorophenyl)-1,3-thiazol-5-yl]aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)c1ccccc1)c1ccc(cc1)Cl

STK041400
Synonyms: N-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-2-(4-nitrophenyl)acetamide
Smiles: N/C(=N\C(=O)Cc1ccc(cc1)[N+](=O)[O-])/Nc1nc(C)c2c(n1)cccc2

STK041415
Synonyms: 2-{[4-(diethylamino)phenyl]carbamoyl}benzoicacid
Smiles: CCN(c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)CC

STK041421
Synonyms: 2-chloro-N-(4-hydrazinyl-6-methoxypyrimidin-2-yl)benzenesulfonamide
Smiles: NNc1cc(OC)nc(n1)NS(=O)(=O)c1ccccc1Cl

STK041434
Synonyms: 2-(2-fluorophenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
Smiles: CN1CCc2c(C1)sc1c2C(=NC(N1)c1ccccc1F)O

STK041441
Synonyms: 2-(2,6-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Smiles: COc1cccc(c1N1C(=O)C2C(C1=O)C1CCC2C=C1)OC

STK041445
Synonyms: 14,14'-benzene-1,4-diylbis(7-phenyldibenzo[c,h]acridinium)ditetrafluoroborate
Smiles: c1ccc(cc1)c1c2ccc3c(c2[n+](c2c1ccc1c2cccc1)c1ccc(cc1)[n+]1c2c(ccc4c2cccc4)c(c2c1c1ccccc1cc2)c1ccccc1)cccc3.F[B-](F)(F)F.F[B-](F)(F)F

STK041449
Synonyms: N-[(4-methylpyridin-2-yl)carbamothioyl]-4-nitrobenzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NC(=S)Nc1nccc(c1)C

STK041464
Synonyms: (3E)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-5-methoxy-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc2c(c1)/C(=N\c1c(=O)n(n(c1C)C)c1ccccc1)/C(=O)N2

STK041492
Synonyms: 8-[(4-aminobenzyl)sulfanyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Nc1ccc(cc1)CSc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

STK041500
Synonyms: methyl3-({[2-(4-methoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoate
Smiles: COc1ccc(cc1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)Nc1cccc(c1)C(=O)OC

STK041510
Synonyms: amino(3,4-dimethoxyphenyl)aceticacid
Smiles: COc1cc(ccc1OC)C(C(=O)O)N

STK041515
Synonyms: (2Z)-N-(2,3-dimethylphenyl)-2-(hydroxyimino)-8-methoxy-2H-chromene-3-carboxamide
Smiles: COc1cccc2c1o/c(=N\O)/c(c2)C(=O)Nc1cccc(c1C)C

STK041521
Synonyms: ethyl4-({[5-(furan-2-yl)-2-thioxo-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NCn1nc(oc1=S)c1ccco1

STK041539
Synonyms: ethyl(2E)-2-[2-(2-hydroxy-5-methylphenyl)hydrazinylidene]-3-oxobutanoate
Smiles: CCOC(=O)/C(=N/Nc1cc(C)ccc1O)/C(=O)C

STK041611
Synonyms: N-{4-bromo-2-[morpholin-4-yl(oxo)acetyl]phenyl}acetamide
Smiles: O=C(c1cc(Br)ccc1NC(=O)C)C(=O)N1CCOCC1

STK041674
Synonyms: 2-nitro-14H-isoquino[4,3,2-kl]phenothiazin-14-one
Smiles: O=c1c2cc(ccc2c2c3n1c1ccccc1sc3ccc2)[N+](=O)[O-]

STK041713
Synonyms: N-[(5-methylfuran-2-yl)methyl]butanediamide
Smiles: Cc1ccc(o1)CNC(=O)CCC(=O)N

STK041728
Synonyms: 5-chloro-2-methoxy-N-(pyridin-3-yl)benzamide
Smiles: COc1ccc(cc1C(=O)Nc1cccnc1)Cl

STK041734
Synonyms: N-(furan-2-ylcarbonyl)tyrosine
Smiles: OC(=O)C(NC(=O)c1ccco1)Cc1ccc(cc1)O

STK041755
Synonyms: methyl(2E)-{2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methoxyphenyl)-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene}ethanoate
Smiles: COC(=O)/C=C\1/N=C(N(C1=O)c1ccc(cc1)OC)Nc1nc(C)cc(n1)C

STK041778
Synonyms: (2E)-1-(azepan-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: O=C(N1CCCCCC1)/C=C/c1ccc(cc1)[N+](=O)[O-]

STK041787
Synonyms: 5-benzyl1-(6-oxo-6H-benzo[c]chromen-3-yl)N-[(benzyloxy)carbonyl]-D-glutamate
Smiles: O=C(N[C@@H](C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1)CCC(=O)OCc1ccccc1)OCc1ccccc1

STK041807
Synonyms: N-(2-ethyl-3-methylquinolin-4-yl)pentanamide
Smiles: CCCCC(=O)Nc1c(C)c(CC)nc2c1cccc2

STK041823
Synonyms: 2,2'-[(3,4-dihydroxyphenyl)methanediyl]bis[5-(4-methoxyphenyl)cyclohexane-1,3-dione]
Smiles: COc1ccc(cc1)C1CC(=O)C(C(=O)C1)C(C1C(=O)CC(CC1=O)c1ccc(cc1)OC)c1ccc(c(c1)O)O

STK041826
Synonyms: 7-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
Smiles: Oc1ccc2c(c1)oc(=O)c(c2)C(=O)Nc1scc(n1)c1ccccc1

STK041842
Synonyms: N'-(3-cyclohexyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)acetohydrazide
Smiles: CC(=O)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK041866
Synonyms: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
Smiles: O=C(c1ccc(c(c1)C)C)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Br)O

STK041867
Synonyms: (6Z)-6-{3-bromo-5-ethoxy-4-[3-(3-methylphenoxy)propoxy]benzylidene}-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCCOc1cccc(c1)C)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK041882
Synonyms: (5Z)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\C=C\c1ccccc1)N1CCCCC1

STK041883
Synonyms: 5-methyl-3-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-2,4-benzodiazepin-1-one
Smiles: Cc1cc2c(C)nc(nc2cc1C)Nc1nc(=O)c2c(c(n1)C)cccc2

STK041896
Synonyms: N-butyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1ccccn1

STK041899
Synonyms: 2-(dimethylamino)ethyl(4-methylphenoxy)acetate
Smiles: CN(CCOC(=O)COc1ccc(cc1)C)C

STK041900
Synonyms: ethyl2-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(/N=C/c2cc(OC)c(c(c2)OC)OC)sc2c1CCCC2

STK041911
Synonyms: (6Z)-6-(benzylimino)-5,5-diethyl-3-methyldihydropyrimidine-2,4(1H,3H)-dione
Smiles: CCC1(CC)/C(=N/Cc2ccccc2)/NC(=O)N(C1=O)C

STK041920
Synonyms: N-(2-ethyl-3-methylquinolin-4-yl)-2-(4-methylpiperidin-1-yl)acetamide
Smiles: CCc1nc2ccccc2c(c1C)NC(=O)CN1CCC(CC1)C

STK041952
Synonyms: N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-(naphthalen-2-yloxy)acetamide
Smiles: COc1ccc(cc1NC(=O)COc1ccc2c(c1)cccc2)c1nc2c(o1)cccc2

STK041960
Synonyms: 9-(2-methoxyethyl)-9H-purin-6-amine
Smiles: COCCn1cnc2c1ncnc2N

STK041962
Synonyms: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
Smiles: O=C(N1c2ccccc2c2c(C1(C)C)ssc2=S)CSc1nnc(s1)N

STK041964
Synonyms: N-(2-{(2Z)-2-[1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}-2-oxoethyl)-3-methoxybenzamide(non-preferredname)
Smiles: COc1cccc(c1)C(=O)NCC(=O)N/N=C/1\C(=O)N(c2c1cccc2)Cc1ccc2c(c1)OCO2

STK042002
Synonyms: N-tert-butyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)Cc1cccnc1)NC(C)(C)C

STK042013
Synonyms: methyl1-[(naphthalen-2-yloxy)acetyl]-1H-indole-3-carboxylate
Smiles: COC(=O)c1cn(c2c1cccc2)C(=O)COc1ccc2c(c1)cccc2

STK042018
Synonyms: 2-[(pyridin-2-ylmethyl)sulfanyl]-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCc2ccccn2)nc2c(c1c1cccs1)CCCC2

STK042024
Synonyms: (2-chlorophenyl)(5,6-dimethyl-1H-benzimidazol-1-yl)methanone
Smiles: Clc1ccccc1C(=O)n1cnc2c1cc(C)c(c2)C

STK042057
Synonyms: 2,3-dichloro-N-({1-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}carbamothioyl)benzamide
Smiles: S=C(NC(=O)c1cccc(c1Cl)Cl)NC(C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)C

STK042058
Synonyms: 2-benzyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
Smiles: O=c1[nH]c2ccccc2c2c1nc(o2)Cc1ccccc1

STK042068
Synonyms: 2-(3-chlorophenoxy)-N'-(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)acetohydrazide
Smiles: O=C(COc1cccc(c1)Cl)NN=C1C(=O)NC(=O)NC1=O

STK042075
Synonyms: 1,4-diamino-2-{[4-(2,4,6-trimethylphenyl)piperazin-1-yl]carbonyl}anthracene-9,10-dione
Smiles: Cc1cc(C)c(c(c1)C)N1CCN(CC1)C(=O)c1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1

STK042081
Synonyms: N-tert-butyl-N'-cyclododecylbutanediamide
Smiles: O=C(NC1CCCCCCCCCCC1)CCC(=O)NC(C)(C)C

STK042085
Synonyms: 4-hydroxy-1-methyl-N-(5-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1c(O)c2ccccc2n(c1=O)C

STK042086
Synonyms: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1

STK042089
Synonyms: N'-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-(naphthalen-1-ylamino)acetohydrazide(non-preferredname)
Smiles: COc1c(Br)cc(cc1OC)/C=N/NC(=O)CNc1cccc2c1cccc2

STK042092
Synonyms: 1-(5,6-dimethyl-1H-benzimidazol-1-yl)-3,3-diphenylpropan-1-one
Smiles: Cc1cc2ncn(c2cc1C)C(=O)CC(c1ccccc1)c1ccccc1

STK042124
Synonyms: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(4-nitrobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1C1CCOC(C1)(C)C)CCCC3

STK042152
Synonyms: 5-amino-1H-benzotriazol-1-ol
Smiles: Nc1ccc2c(c1)nnn2O

STK042164
Synonyms: methyl6-bromo-5-methoxy-1-methyl-2-(morpholin-4-ylmethyl)-1H-indole-3-carboxylate
Smiles: COC(=O)c1c2cc(OC)c(cc2n(c1CN1CCOCC1)C)Br

STK042223
Synonyms: 4-chloro-N'-[(4-hexylcyclohexyl)carbonyl]benzohydrazide
Smiles: CCCCCCC1CCC(CC1)C(=O)NNC(=O)c1ccc(cc1)Cl

STK042247
Synonyms: benzyl[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
Smiles: COc1ccc2c(c1)c(CCNC(=O)OCc1ccccc1)c[nH]2

STK042283
Synonyms: (2E)-3-(1,3-benzodioxol-5-yl)-N-(3-methoxyphenyl)prop-2-enamide
Smiles: COc1cccc(c1)NC(=O)/C=C/c1ccc2c(c1)OCO2

STK042336
Synonyms: 3-amino-1-ethyl-5-phenyl-1,2,4-triazin-1-ium
Smiles: CC[n+]1cc(nc(n1)N)c1ccccc1

STK042350
Synonyms: 1,1,1-triphenylpropan-2-one
Smiles: CC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

STK042389
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxybenzyl)piperidine-4-carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1)OC)(C)C

STK042391
Synonyms: methyl5-(4-chlorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Smiles: COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)Cl

STK042436
Synonyms: N-{2,5-dimethoxy-4-[(phenylcarbonyl)amino]phenyl}-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanediamide
Smiles: COc1cc(NC(=O)c2ccccc2)c(cc1NC(=O)CCC(=O)Nc1c(=O)n(n(c1C)C)c1ccccc1)OC

STK042443
Synonyms: pyridin-3-yl2-chlorobenzoate
Smiles: O=C(c1ccccc1Cl)Oc1cccnc1

STK042465
Synonyms: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCO/C(=C/1\C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/CC

STK042477
Synonyms: N-[3-(morpholin-4-ylcarbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1sc2c(c1C(=O)N1CCOCC1)CCC2

STK042482
Synonyms: 4-nitro-2-(1,3-thiazol-2-yl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(c2nccs2)C(=O)c2c1c(ccc2)[N+](=O)[O-]

STK042490
Synonyms: 1-(3-chlorophenyl)pyrazolidin-3-one
Smiles: O=C1CCN(N1)c1cccc(c1)Cl

STK042493
Synonyms: 2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-imidazol-5-ol
Smiles: Cc1cc2c(C)nc(nc2cc1C)Nc1ncc([nH]1)O

STK042499
Synonyms: N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)carbonyl]piperidine-4-carboxamide
Smiles: COc1cccc(c1)C(=O)N1CCC(CC1)C(=O)NCc1ccco1

STK042504
Synonyms: methyl3-({3-oxo-2-[3-(propan-2-yloxy)propyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl}sulfanyl)propanoate
Smiles: COC(=O)CCSC1N(CCCOC(C)C)C(=O)C2=C1CCCC2

STK042505
Synonyms: 1-[(N-acetylalanyl)amino]-N-(2-methylphenyl)cyclopentanecarboxamide
Smiles: CC(=O)NC(C(=O)NC1(CCCC1)C(=O)Nc1ccccc1C)C

STK042541
Synonyms: 4-phenyl-2,3-dihydro-1,3-thiazol-2-amine
Smiles: NC1SC=C(N1)c1ccccc1

STK042545
Synonyms: N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
Smiles: COc1cc(NC(=O)CCN2CCN(CC2)C)cc(c1)Cl

STK042549
Synonyms: N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-2-(2-nitrophenoxy)acetamide
Smiles: O=C(NC(=S)Nc1ccccc1N1CCOCC1)COc1ccccc1[N+](=O)[O-]

STK042579
Synonyms: 2-(3-methylphenoxy)-N-[(1-propyl-1H-tetrazol-5-yl)carbamothioyl]acetamide
Smiles: CCCn1nnnc1NC(=S)NC(=O)COc1cccc(c1)C

STK042580
Synonyms: 8-[(2E)-2-(5-bromo-1-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc2c(c1)/C(=N\Nc1nc3c(n1CCc1ccccc1)c(=O)[nH]c(=O)n3C)/C(=O)N2C

STK042585
Synonyms: 4-(2-{[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}ethoxy)benzoicacid
Smiles: OC(=O)c1ccc(cc1)OCCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

STK042590
Synonyms: [2-(6-chloro-2-oxo-2H-chromen-3-yl)-4-(4-ethylphenyl)-1,3-thiazol-5-yl]aceticacid
Smiles: CCc1ccc(cc1)c1nc(sc1CC(=O)O)c1cc2cc(Cl)ccc2oc1=O

STK042593
Synonyms: 2-methylquinolin-8-yl4-(benzyloxy)benzoate
Smiles: Cc1ccc2c(n1)c(ccc2)OC(=O)c1ccc(cc1)OCc1ccccc1

STK042610
Synonyms: N'-[(E)-{4-[3-(2-methylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1ccccc1C

STK042622
Synonyms: 1-(2-hydroxyphenyl)-3-(2-methylphenyl)urea
Smiles: O=C(Nc1ccccc1O)Nc1ccccc1C

STK042649
Synonyms: 3-(dimethylamino)-1-[4-(trifluoromethoxy)phenyl]propan-1-one
Smiles: CN(CCC(=O)c1ccc(cc1)OC(F)(F)F)C

STK042666
Synonyms: 2,2'-(dodecylimino)diethanesulfonate
Smiles: CCCCCCCCCCCCN(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-]

STK042691
Synonyms: 2-[benzyl(3,4-dimethoxybenzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1ccc(c(c1)OC)OC

STK042721
Synonyms: 2-(3,4-dichlorophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Smiles: CN1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)Cl)Cl

STK042725
Synonyms: N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-3-methylbenzohydrazide
Smiles: Cc1cccc(c1)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK042727
Synonyms: 2-bromo-N-(4-hydroxy-2-methylquinolin-6-yl)benzamide
Smiles: Cc1cc(O)c2c(n1)ccc(c2)NC(=O)c1ccccc1Br

STK042732
Synonyms: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(o1)cccc2)COc1ccc(cc1C)Cl

STK042753
Synonyms: 8-[(4-aminobutyl)amino]-9-pentofuranosyl-1,9-dihydro-6H-purin-6-one
Smiles: NCCCCNc1nc2c(n1C1OC(C(C1O)O)CO)nc[nH]c2=O

STK042771
Synonyms: 2-(4-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoicacid
Smiles: CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OC(C(=O)O)C)/C1=O

STK042790
Synonyms: 1-(morpholin-4-yl)-3-(3-nitrophenyl)-2-(2-oxopyridin-1(2H)-yl)propane-1,3-dione
Smiles: O=c1ccccn1C(C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)N1CCOCC1

STK042791
Synonyms: N-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamothioyl)propanamide
Smiles: CCC(=O)NC(=S)NC12CC3CC(C2)CC(C1)C3

STK042802
Synonyms: 1-[(N-acetylglycyl)(benzyl)amino]-N-(2-methylphenyl)cyclohexanecarboxamide
Smiles: CC(=O)NCC(=O)N(C1(CCCCC1)C(=O)Nc1ccccc1C)Cc1ccccc1

STK042809
Synonyms: 3-benzyl-8,8-dimethyl-2-thioxo-1,2,3,6,8,9-hexahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: S=c1[nH]c2nc3CC(C)(C)OCc3cc2c(=O)n1Cc1ccccc1

STK042814
Synonyms: 4-(benzyloxy)-N-(3-chloro-4-fluorophenyl)benzamide
Smiles: O=C(c1ccc(cc1)OCc1ccccc1)Nc1ccc(c(c1)Cl)F

STK042859
Synonyms: 9-[(E)-(1-methylpyridin-2(1H)-ylidene)methyl]acridine
Smiles: Cn1cccc/c/1=C\c1c2ccccc2nc2c1cccc2

STK042877
Synonyms: 4-methylphenyl4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)Oc1ccc(cc1)C)NCCC1=CCCCC1

STK042892
Synonyms: 2-[methyl(propan-2-yl)amino]ethyl(2-methylphenoxy)acetate
Smiles: O=C(COc1ccccc1C)OCCN(C(C)C)C

STK042898
Synonyms: 4-{(2Z)-2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}naphthalene-1-sulfonicacid
Smiles: O=C1/C(=N\Nc2ccc(c3c2cccc3)S(=O)(=O)O)/C(=NN1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK042943
Synonyms: 2-{[carboxy(2,4-dichlorophenyl)methyl]carbamoyl}cyclohex-1-ene-1-carboxylicacid
Smiles: Clc1ccc(c(c1)Cl)C(C(=O)O)NC(=O)C1=C(CCCC1)C(=O)O

STK042965
Synonyms: 2-(5-ethyl-2-methyl-1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: CCc1ccc2c(c1)c(CC(=O)Nc1cccc(c1)C(F)(F)F)c([nH]2)C

STK042968
Synonyms: ethyl(2E)-3-[2-(benzyloxy)-5-bromophenyl]-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Br)ccc1OCc1ccccc1)/C#N

STK042983
Synonyms: N-(6-oxo-1,2,3,6-tetrahydrochromeno[4,3-d]cyclopenta[b]pyridin-5-yl)acetamide
Smiles: CC(=O)Nc1nc2CCCc2c2c1c(=O)oc1c2cccc1

STK042992
Synonyms: N-[2-cyano-1-(4-methylphenyl)-1H-benzo[f]chromen-3-yl]benzamide
Smiles: N#CC1=C(NC(=O)c2ccccc2)Oc2c(C1c1ccc(cc1)C)c1ccccc1cc2

STK042999
Synonyms: (2E)-3-[(2,5-dichlorophenyl)amino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(cc(c1OC)OC)C(=O)/C=C/Nc1cc(Cl)ccc1Cl

STK043004
Synonyms: 2-{[1-(2,3-dimethylphenyl)-3-methoxy-3-oxopropyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)CC(c1cccc(c1C)C)NC(=O)C1CCCCC1C(=O)O

STK043029
Synonyms: (1Z)-N'-{[(2-methoxyphenyl)carbonyl]oxy}-2-(naphthalen-1-yl)ethanimidamide
Smiles: COc1ccccc1C(=O)O/N=C(/Cc1cccc2c1cccc2)\N

STK043048
Synonyms: N-(1,3-benzothiazol-2-yl)-2-(naphthalen-2-yloxy)acetamide
Smiles: O=C(Nc1nc2c(s1)cccc2)COc1ccc2c(c1)cccc2

STK043053
Synonyms: (5Z)-5-(5-bromo-2-hydroxy-3-iodobenzylidene)imidazolidine-2,4-dione
Smiles: O=C1NC(=O)/C(=C/c2cc(Br)cc(c2O)I)/N1

STK043092
Synonyms: (2E)-2-(1-cyclopropylethylidene)-N-(4-ethoxyphenyl)hydrazinecarbothioamide
Smiles: CCOc1ccc(cc1)NC(=S)N/N=C(/C1CC1)\C

STK043115
Synonyms: N-(2-phenylethyl)-N'-(pyridin-3-yl)butanediamide
Smiles: O=C(CCC(=O)Nc1cccnc1)NCCc1ccccc1

STK043119
Synonyms: (4Z)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[2-(4-methoxy-2-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccc(cc1)Cl)C

STK043170
Synonyms: N-cyclopentyl-N'-(1,3-thiazol-2-yl)ethanediamide
Smiles: O=C(C(=O)NC1CCCC1)Nc1nccs1

STK043234
Synonyms: (3Z)-5-methoxy-3-[(2E)-(5-phenyl-4,5-dihydro-3H-pyrazol-3-ylidene)hydrazinylidene]-1,3-dihydro-2H-indol-2-one
Smiles: COc1ccc2c(c1)/C(=N/N=C\1/N=NC(C1)c1ccccc1)/C(=O)N2

STK043236
Synonyms: 2-{[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzoicacid
Smiles: COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccccc1C(=O)O

STK043239
Synonyms: (6Z)-6-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-5-imino-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK043295
Synonyms: methyl(1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3-fluorophenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccc(c1)F)C(=O)N)C(=O)C

STK043304
Synonyms: benzyl4-[2-(diethylamino)ethyl]-3-methyl-1H-pyrrole-2-carboxylate
Smiles: CCN(CCc1c[nH]c(c1C)C(=O)OCc1ccccc1)CC

STK043318
Synonyms: (3,4-dimethoxyphenyl)(5-methylfuran-2-yl)methanol
Smiles: COc1cc(ccc1OC)C(c1ccc(o1)C)O

STK043321
Synonyms: {2-[(4-chlorophenyl)amino]-4-phenyl-1,3-thiazol-5-yl}aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccccc1)Nc1ccc(cc1)Cl

STK043334
Synonyms: 2-(1,3-benzothiazol-2-yl)-5-cyclopropyl-5-methyl-1,2,4-triazolidine-3-thione
Smiles: S=C1NC(NN1c1nc2c(s1)cccc2)(C)C1CC1

STK043360
Synonyms: 2-(2-bromo-4-nitrophenoxy)acetohydrazide
Smiles: NNC(=O)COc1ccc(cc1Br)[N+](=O)[O-]

STK043369
Synonyms: N-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-(5-methoxy-1H-indol-3-yl)ethanamine
Smiles: COc1ccc(c(c1)OC)/C=N/CCc1c[nH]c2c1cc(OC)cc2

STK043384
Synonyms: (2E)-3-(4-chloro-3-nitrophenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide
Smiles: O=C(NC(=S)Nc1ccc(cn1)I)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK043400
Synonyms: 2-(5-{(Z)-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: CC/N=C/1\S/C(=C\c2ccc(o2)c2ccccc2C(=O)O)/C(=O)N1CC

STK043422
Synonyms: (2E)-3-(5-chloro-2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1/C=C(/C(=O)Nc1cccc(c1)C)\C#N)Cl

STK043424
Synonyms: 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-phenyl-1,3,5-triazine-2,4-diamine
Smiles: Nc1nc(CSc2nc3c(s2)cccc3)nc(n1)Nc1ccccc1

STK043426
Synonyms: naphthalen-2-yl({[(1E,2E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-ylidene]amino}oxy)methanone
Smiles: O=C(c1ccc2c(c1)cccc2)O/N=C(/c1ccccc1)\C=C\c1ccccc1[N+](=O)[O-]

STK043474
Synonyms: 1-[4-(trifluoromethyl)benzyl]piperidine-4-carboxylicacid
Smiles: OC(=O)C1CCN(CC1)Cc1ccc(cc1)C(F)(F)F

STK043509
Synonyms: 3-(4-methoxyphenyl)-1H-pyrrole-2,5-dione
Smiles: COc1ccc(cc1)C1=CC(=O)NC1=O

STK043536
Synonyms: (2Z)-2-({2-methyl-1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: Cc1cccc(c1)OCCn1c(C)c(c2c1cccc2)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK043580
Synonyms: 4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]morpholine
Smiles: [O-][N+](=O)c1ccc(cc1N1CCCC1)N1CCOCC1

STK043617
Synonyms: N-cyclohexyl-N'-(4-fluorobenzyl)butanediamide
Smiles: O=C(NCc1ccc(cc1)F)CCC(=O)NC1CCCCC1

STK043630
Synonyms: ethyl4-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-1-ene-1-carboxylate
Smiles: CCOC(=O)C1=CCC(CC1)n1ccc(=O)[nH]c1=O

STK043633
Synonyms: (4-methoxyphenyl)(phenyl)bromonium
Smiles: COc1ccc(cc1)[Br+]c1ccccc1

STK043636
Synonyms: 4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)nc1c2cccc1)c1ccc(cc1)Cl

STK043665
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(morpholin-4-yl)propyl]butanediamide
Smiles: COc1cc(CCNC(=O)CCC(=O)NCCCN2CCOCC2)ccc1OC

STK043666
Synonyms: N-(naphthalen-1-yl)-2-[(2Z)-4-oxo-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-5-yl]acetamide
Smiles: C=CC/N=C\1/NC(=O)C(S1)CC(=O)Nc1cccc2c1cccc2

STK043668
Synonyms: N-(4-chlorophenyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1cc2cc(ccc2oc1=O)[N+](=O)[O-]

STK043672
Synonyms: ethyl(2E)-3-(3-chloro-5-ethoxy-4-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cc(Cl)c(c(c1)OCC)OCCOc1ccc(cc1OC)CC=C)/C#N

STK043687
Synonyms: N-(2-methoxyethyl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)hydrazinecarbothioamide
Smiles: COCCNC(=S)NNC(=O)C12CC3CC(C2)CC(C1)C3

STK043688
Synonyms: N-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
Smiles: NCCNc1ccc(cc1Cl)[N+](=O)[O-]

STK043700
Synonyms: dimethyl5-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=S)NC(=O)c2cccs2)cc(c1)C(=O)OC

STK043706
Synonyms: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
Smiles: CCCOc1ccc(cc1)C(=O)Nc1cc(ccc1C)c1nc2c(s1)cccc2

STK043716
Synonyms: N-carbamimidoyl-4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)N/C=C/C(=O)c1ccc(cc1)C

STK043733
Synonyms: 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
Smiles: CN(CCNC(=O)C1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK043772
Synonyms: 2-(4-heptylphenyl)-5-(4-propylphenyl)-1,3,4-thiadiazole
Smiles: CCCCCCCc1ccc(cc1)c1nnc(s1)c1ccc(cc1)CCC

STK043811
Synonyms: 1-(4-methoxyphenyl)-4-(3-methylphenoxy)phthalazine
Smiles: COc1ccc(cc1)c1nnc(c2c1cccc2)Oc1cccc(c1)C

STK043856
Synonyms: (2E)-4-{[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl](4-methoxybenzyl)amino}-4-oxobut-2-enoicacid
Smiles: COc1ccc(cc1)CN(C1CC(=O)N(C1=O)c1ccc(cc1)Cl)C(=O)/C=C/C(=O)O

STK043879
Synonyms: N-(3-ethoxypropyl)-1-(4-ethylbenzyl)piperidine-4-carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1ccc(cc1)CC

STK043904
Synonyms: 4-[(3,4-dichlorophenyl)amino]-4-oxo-3-(tetrahydrofuran-2-yl)butanoicacid
Smiles: OC(=O)CC(C(=O)Nc1ccc(c(c1)Cl)Cl)C1CCCO1

STK043915
Synonyms: 2-ethyl-3-methyl-1-{[2-(piperazin-1-yl)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1NCCN1CCNCC1)c1ccccc1n2

STK043922
Synonyms: 2-[(pyridin-3-ylcarbonyl)amino]benzoicacid
Smiles: O=C(c1cccnc1)Nc1ccccc1C(=O)O

STK043928
Synonyms: 1-benzyl-N-(3-bromobenzyl)-1H-indole-2-carboxamide
Smiles: Brc1cccc(c1)CNC(=O)c1cc2c(n1Cc1ccccc1)cccc2

STK043945
Synonyms: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCOc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1Cl)Cl

STK043964
Synonyms: 2-(1,3-benzothiazol-2-ylamino)-N-(2-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide
Smiles: O=C1NC(=NC(C1)C(=O)Nc1ccccc1Cl)Nc1nc2c(s1)cccc2

STK043979
Synonyms: methylN-{[5-(4-fluorophenyl)furan-2-yl]carbonyl}leucinate
Smiles: COC(=O)C(NC(=O)c1ccc(o1)c1ccc(cc1)F)CC(C)C

STK043984
Synonyms: [(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](pyridin-2-yl)methanone
Smiles: CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccccn1

STK044012
Synonyms: 4-methyl-N,N-bis(2-methylpropyl)-3-nitrobenzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)CC(C)C)C

STK044080
Synonyms: ethyl(2Z)-2-cyano-3-[2,2-dimethyl-4-(morpholin-4-yl)-5,6-dihydro-2H-pyran-3-yl]prop-2-enoate
Smiles: CCOC(=O)/C(=C\C1=C(CCOC1(C)C)N1CCOCC1)/C#N

STK044087
Synonyms: 3,5-bis[(3-cyanophenyl)carbamoyl]phenylhydrogencarbonate
Smiles: N#Cc1cccc(c1)NC(=O)c1cc(OC(=O)O)cc(c1)C(=O)Nc1cccc(c1)C#N

STK044125
Synonyms: 2-chloro-5-{[(3-methylbutanoyl)carbamothioyl]amino}benzoicacid
Smiles: CC(CC(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)C

STK044126
Synonyms: 1,2,3-trimethyl-2-phenyl-2,3-dihydro-1H-benzimidazole
Smiles: CN1c2ccccc2N(C1(C)c1ccccc1)C

STK044127
Synonyms: 2-{[1-(2,4-dichlorophenyl)-2-methoxy-2-oxoethyl]carbamoyl}cyclohexanecarboxylicacid
Smiles: COC(=O)C(c1ccc(cc1Cl)Cl)NC(=O)C1CCCCC1C(=O)O

STK044143
Synonyms: 2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-[(E)-{3-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene]acetohydrazide
Smiles: O=C(Cc1nnc(s1)N)N/N=C/c1cccc(c1)OCCOc1cccc(c1)C

STK044150
Synonyms: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCOc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

STK044188
Synonyms: N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(C(=O)C)Cc1ccco1

STK044191
Synonyms: 8-chloro-3-propyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
Smiles: CCCN1CCn2c3C1CCCc3c1c2ccc(c1)Cl

STK044198
Synonyms: 3-amino-7-methyl-2-(phenylamino)-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)Nc1ccccc1)N

STK044217
Synonyms: 9-nitroanthracene
Smiles: [O-][N+](=O)c1c2ccccc2cc2c1cccc2

STK044224
Synonyms: (9-oxoacridin-10(9H)-yl)aceticacid
Smiles: OC(=O)Cn1c2ccccc2c(=O)c2c1cccc2

STK044232
Synonyms: N'-[(1E)-1-(2,4-dihydroxyphenyl)ethylidene]-2-iodobenzohydrazide
Smiles: Oc1ccc(c(c1)O)/C(=N/NC(=O)c1ccccc1I)/C

STK044246
Synonyms: 1H-benzimidazol-1-yl(morpholin-4-yl)methanone
Smiles: O=C(n1cnc2c1cccc2)N1CCOCC1

STK044283
Synonyms: (2E)-2-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxybenzylidene}hydrazinecarboxamide
Smiles: COc1cc(/C=N/NC(=O)N)cc(c1OCc1ccc(cc1)Cl)I

STK044320
Synonyms: N-[(E)-{3-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene]-4H-1,2,4-triazol-3-amine
Smiles: COc1ccccc1OCCOc1cccc(c1)/C=N/c1nnc[nH]1

STK044339
Synonyms: 2-chloro-5-(5-{(Z)-[(2Z)-4-oxo-2-(phenylimino)-3-propyl-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoicacid
Smiles: CCCN1/C(=N/c2ccccc2)/S/C(=C\c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/C1=O

STK044344
Synonyms: 2-({[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: Clc1ccc(c(c1)Cl)c1nnc(o1)SCc1nc2c([nH]1)cccc2

STK044351
Synonyms: 1-[(2-{[(2-bromophenyl)carbonyl]amino}phenyl)carbonyl]piperidine-4-carboxamide
Smiles: NC(=O)C1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccccc1Br

STK044389
Synonyms: (3E)-3-[2-(furan-2-ylcarbonyl)hydrazinylidene]-N-phenylbutanamide
Smiles: O=C(C/C(=N/NC(=O)c1ccco1)/C)Nc1ccccc1

STK044390
Synonyms: disodium3-(furan-2-yl)-2-[(piperidin-1-ylmethyl)phosphinato]propanoate
Smiles: [Na]OC(=O)C(P(=O)(CN1CCCCC1)O[Na])Cc1ccco1

STK044408
Synonyms: 2-bromo-N-(tricyclo[3.3.1.1~3,7~]dec-2-ylcarbamothioyl)benzamide
Smiles: S=C(NC(=O)c1ccccc1Br)NC1C2CC3CC1CC(C2)C3

STK044426
Synonyms: (2Z)-2-[(3-methoxyphenyl)imino]-N-(3-methylphenyl)-2H-chromene-3-carboxamide
Smiles: COc1cccc(c1)/N=c/1\oc2ccccc2cc1C(=O)Nc1cccc(c1)C

STK044449
Synonyms: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
Smiles: Brc1cccc(c1)c1nc2c(o1)ccc(c2)NC(=O)c1cccnc1

STK044461
Synonyms: 2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide
Smiles: C=CCC(NC(=O)c1ccccc1C)(CC=C)C

STK044500
Synonyms: 1-(3-ethoxy-4-hydroxybenzyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(c(c1)OCC)O)C

STK044504
Synonyms: N-[(E)-1H-indol-3-ylmethylidene]-3,5-dimethylaniline
Smiles: Cc1cc(C)cc(c1)/N=C/c1c[nH]c2c1cccc2

STK044506
Synonyms: N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-diphenylacetamide
Smiles: N#Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC(C)CC2

STK044544
Synonyms: N-(2-{[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl]sulfanyl}ethyl)-4-nitrobenzamide
Smiles: [O-][N+](=O)CC(c1cn(c2c1cccc2)C(=O)C)SCCNC(=O)c1ccc(cc1)[N+](=O)[O-]

STK044550
Synonyms: N'-[(E)-(4-{3-[4-(butan-2-yl)phenoxy]propoxy}-3-ethoxyphenyl)methylidene]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)C)ccc1OCCCOc1ccc(cc1)C(CC)C

STK044556
Synonyms: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-(4-methylphenoxy)ethanone
Smiles: Cc1ccc(cc1)OCC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccc(cc1)Cl

STK044561
Synonyms: N'-[1-(4-fluorobenzyl)-3,4-dimethyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-3-methyl-4-nitrobenzohydrazide
Smiles: Fc1ccc(cc1)CN1C(NNC(=O)c2ccc(c(c2)C)[N+](=O)[O-])C(=C(C1=O)C)C

STK044602
Synonyms: 2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-5-butyl-1,3-thiazol-4(5H)-one
Smiles: CCCCC1SC(=NC1=O)N/N=C/c1ccc(cc1)Br

STK044626
Synonyms: 2-[(4-methylphenyl)amino]acetohydrazide(non-preferredname)
Smiles: NNC(=O)CNc1ccc(cc1)C

STK044665
Synonyms: 5'-amino-4''-bromo-3-hydroxy-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
Smiles: N#Cc1c(cc(c(c1N)C#N)c1cccc(c1)O)c1ccc(cc1)Br

STK044692
Synonyms: 1-(1,3-benzothiazol-2-yl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Smiles: OC1(CC(=NN1c1nc2c(s1)cccc2)c1ccccc1)C(F)(F)F

STK044717
Synonyms: 2-(5-chloro-2-oxopyridin-1(2H)-yl)-1-{4-[(4-methylpiperazin-1-yl)carbonyl]piperidin-1-yl}-3-phenylpropane-1,3-dione
Smiles: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK044719
Synonyms: 1-(4-fluorophenyl)-2-(2-oxopyridin-1(2H)-yl)-3-[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]propane-1,3-dione
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)N1CCCCC1

STK044741
Synonyms: (4E)-4-[2-(4-chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Clc1ccc(cc1)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK044756
Synonyms: 2-({4-[ethyl(phenyl)amino]phenyl}amino)naphthalene-1,4-dione
Smiles: CCN(c1ccccc1)c1ccc(cc1)NC1=CC(=O)c2c(C1=O)cccc2

STK044760
Synonyms: ethyl(E)-N-[(2-hydroxy-5-methylphenyl)(phenyl)methylidene]glycinate
Smiles: CCOC(=O)C/N=C(/c1cc(C)ccc1O)\c1ccccc1

STK044801
Synonyms: 2-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK044814
Synonyms: (4Z)-4-[2-(3-hydroxyphenyl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: Oc1cccc(c1)N/N=C/1\C(=O)N(N=C1c1ccccc1)C(=S)N

STK044839
Synonyms: 3-tert-butyl-5-phenyl-1H-tetrazol-3-ium
Smiles: CC([n+]1nc([nH]n1)c1ccccc1)(C)C

STK044861
Synonyms: 4,6-dimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
Smiles: Cc1nc(Nc2nc(C)c3c(n2)ccc(c3)C)nc(c1)c1ccccc1

STK044906
Synonyms: (4E)-4-(hydroxyimino)-2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-benzimidazol-1-ol
Smiles: O/N=C/1\CCCc2c1nc(n2O)c1ccc(cc1)OC

STK044926
Synonyms: ethyl(2E)-3-{1-[2-(4-chloro-2-methylphenoxy)ethyl]-1H-indol-3-yl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1cn(c2c1cccc2)CCOc1ccc(cc1C)Cl)/C#N

STK044933
Synonyms: 2-[(E)-2-(1H-indol-3-yl)ethenyl]quinoline-4-carboxylicacid
Smiles: OC(=O)c1cc(/C=C/c2c[nH]c3c2cccc3)nc2c1cccc2

STK044949
Synonyms: 14,14'-hexane-1,6-diylbis(7-phenyldibenzo[c,h]acridinium)diperchlorate
Smiles: c1ccc(cc1)c1c2ccc3c(c2[n+](c2c1ccc1c2cccc1)CCCCCC[n+]1c2c(ccc4c2cccc4)c(c2c1c1ccccc1cc2)c1ccccc1)cccc3.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O

STK044957
Synonyms: 2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)Cc1c(Sc2ccccc2)c2c(n1C)cccc2

STK044997
Synonyms: 2-(4-methylphenyl)-5-(naphthalen-2-yl)-4-phenyl-1H-imidazole
Smiles: Cc1ccc(cc1)c1[nH]c(c(n1)c1ccccc1)c1ccc2c(c1)cccc2

STK045047
Synonyms: (4-{(Z)-[(2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)CCc1ccccc1

STK045060
Synonyms: 1'-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-1,4'-bipiperidine-4'-carboxamide
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(=O)[nH]2)N1CCC(CC1)(C(=O)N)N1CCCCC1

STK045065
Synonyms: methyl(2-bromo-4-{(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetate
Smiles: CCOc1cc(/C=C\2/NC(=O)N(C2=O)c2cccc(c2)Cl)cc(c1OCC(=O)OC)Br

STK045067
Synonyms: disodium2-({[(2-ethoxy-2-oxoethyl)(methyl)amino]methyl}phosphinato)-3-(furan-2-yl)propanoate
Smiles: CCOC(=O)CN(CP(=O)(C(C(=O)O[Na])Cc1ccco1)O[Na])C

STK045071
Synonyms: N'-(acridin-9-yl)-2-(morpholin-4-yl)acetohydrazide
Smiles: O=C(CN1CCOCC1)NNc1c2ccccc2nc2c1cccc2

STK045091
Synonyms: N'-(3-chlorophenyl)-N'-methyl-2-phenylacetohydrazide
Smiles: O=C(NN(c1cccc(c1)Cl)C)Cc1ccccc1

STK045116
Synonyms: 4-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cccc2c1cccc2)/C(=O)Nc1ccc(cc1)C(=O)O

STK045119
Synonyms: N-cyclopentyl-1-[3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])NC1CCCC1

STK045145
Synonyms: 2-bromo-N-[7-(phenylcarbonyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
Smiles: BrCC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1

STK045158
Synonyms: 10-benzyl-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
Smiles: c1ccc(cc1)Cn1c2ccccc2n2c1=NCCC2

STK045169
Synonyms: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1ccc2c(c1)nc(o2)c1cccc(c1)Br

STK045199
Synonyms: propan-2-yl(2Z)-3-amino-3-phenylprop-2-enoate
Smiles: CC(OC(=O)/C=C(/c1ccccc1)\N)C

STK045200
Synonyms: 2-[benzyl(pyridin-3-ylmethyl)amino]ethanol
Smiles: OCCN(Cc1cccnc1)Cc1ccccc1

STK045210
Synonyms: 2-(4-butoxyphenyl)-1,3-benzoxazole
Smiles: CCCCOc1ccc(cc1)c1nc2c(o1)cccc2

STK045223
Synonyms: 2,5-dichloro-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]benzamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1cc(Cl)ccc1Cl

STK045241
Synonyms: (5E)-5-(5-bromo-3-ethoxy-2-hydroxybenzylidene)-2-thioxoimidazolidin-4-one
Smiles: CCOc1cc(Br)cc(c1O)/C=C\1/NC(=S)NC1=O

STK045246
Synonyms: 5-chloro-2-(furan-2-yl)-1,3-benzoxazole
Smiles: Clc1ccc2c(c1)nc(o2)c1ccco1

STK045265
Synonyms: {2-[(4-ethoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}aceticacid
Smiles: CCOc1ccc(cc1)Nc1sc(c(n1)c1ccccc1)CC(=O)O

STK045266
Synonyms: 4-{(E)-[(3,4-dimethylphenyl)imino]methyl}benzene-1,2-diol
Smiles: Cc1cc(/N=C/c2ccc(c(c2)O)O)ccc1C

STK045268
Synonyms: N-(6-hydroxy-6-methylheptan-2-yl)-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)Cc1ccccn1)CCCC(O)(C)C

STK045276
Synonyms: N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-3-propoxyphenyl]acetamide
Smiles: CCCOc1cc(ccc1c1csc2=NCCn12)NC(=O)C

STK045298
Synonyms: 2-chloro-4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: COc1cc(OC)cc(c1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)C(=O)O

STK045309
Synonyms: (3E)-N-(6-methylpyridin-2-yl)-3-[2-(3-phenylpropanoyl)hydrazinylidene]butanamide
Smiles: O=C(N/N=C(/CC(=O)Nc1cccc(n1)C)\C)CCc1ccccc1

STK045322
Synonyms: 2,5-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
Smiles: Clc1ccc(c(c1)S(=O)(=O)Nc1scc(n1)c1ccccc1)Cl

STK045366
Synonyms: N,N'-naphthalene-2,3-diyldicyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1cc2ccccc2cc1NC(=O)C1CC1

STK045375
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
Smiles: COc1c(cccc1OC)/C=C/1\SC(=O)N(C1=O)c1ccccc1

STK045402
Synonyms: 2-(4-methylphenoxy)-N-[(3-methylpyridin-2-yl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1ncccc1C)COc1ccc(cc1)C

STK045404
Synonyms: 2-[(2,6,8-trimethylquinolin-4-yl)amino]benzoicacid
Smiles: Cc1cc(C)c2c(c1)c(cc(n2)C)Nc1ccccc1C(=O)O

STK045408
Synonyms: 4'-{[(E)-cyclohexylmethylidene]amino}-1'H-spiro[cyclopentane-1,2'-naphthalene]-3'-carbonitrile
Smiles: N#CC1=C(/N=C/C2CCCCC2)c2ccccc2CC21CCCC2

STK045410
Synonyms: cyclohexyl(3,4-dihydropyrimido[1,2-a]benzimidazol-1(2H)-yl)methanone
Smiles: O=C(N1CCCn2c1nc1c2cccc1)C1CCCCC1

STK045413
Synonyms: 4-[(3,4-dimethylphenoxy)methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)COc1ccc(c(c1)C)C

STK045435
Synonyms: (2E)-3-[(2-methoxy-4-nitrophenyl)amino]-1-(pyridin-3-yl)but-2-en-1-one
Smiles: COc1cc(ccc1N/C(=C/C(=O)c1cccnc1)/C)[N+](=O)[O-]

STK045441
Synonyms: (2Z)-8-methoxy-2-(pyridin-3-ylimino)-2H-chromene-3-carboxamide
Smiles: COc1cccc2c1o/c(=N\c1cccnc1)/c(c2)C(=O)N

STK045454
Synonyms: 2-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-1H-indene-1,3(2H)-dione
Smiles: O=C1/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)/C(=O)c2c1cccc2

STK045492
Synonyms: 1-(4-methoxyphenyl)-3-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)c1cccc(c1)C

STK045549
Synonyms: (5Z)-5-[(2Z)-2-(4-chlorophenyl)-3-phenylprop-2-en-1-ylidene]-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C\C(=C\c2ccccc2)\c2ccc(cc2)Cl)/C1=O

STK045563
Synonyms: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CNc1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(=O)n(c(=O)n2C)C)C

STK045632
Synonyms: (6Z)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-(2-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccccc1Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccccc1C

STK045637
Synonyms: 1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanoyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F)N[C@@H](c1ccccc1)C

STK045641
Synonyms: 2-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-4-propylphenol
Smiles: CCCc1ccc(c(c1)/N=C/c1ccc2c(c1)OCO2)O

STK045643
Synonyms: 5,5-bis(hydroxymethyl)-2-[(3-methylphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: OCC1(CO)SC(=NC1=O)Nc1cccc(c1)C

STK045647
Synonyms: 5-(phenylcarbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Smiles: O=C(N1C2CCCCCN2C(=O)c2c1cccc2)c1ccccc1

STK045653
Synonyms: morpholin-4-yl[4'-pentyl-1,1'-bi(cyclohexyl)-4-yl]methanone
Smiles: CCCCCC1CCC(CC1)C1CCC(CC1)C(=O)N1CCOCC1

STK045660
Synonyms: methyl[2-(4-methoxyphenyl)-4-oxo-2H-1,3-benzoxazin-3(4H)-yl]acetate
Smiles: COC(=O)CN1C(Oc2c(C1=O)cccc2)c1ccc(cc1)OC

STK045661
Synonyms: (3E)-3-[2-(phenoxyacetyl)hydrazinylidene]-N-(pyridin-2-yl)butanamide
Smiles: O=C(COc1ccccc1)N/N=C(/CC(=O)Nc1ccccn1)\C

STK045667
Synonyms: (5E)-1-methyl-2-thioxo-5-[4-(trifluoromethyl)benzylidene]dihydropyrimidine-4,6(1H,5H)-dione
Smiles: CN1C(=S)NC(=O)/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O

STK045668
Synonyms: 1-ethoxy-3-phenylthiourea
Smiles: CCONC(=S)Nc1ccccc1

STK045678
Synonyms: ethyl1-(2-chlorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.5]decane-3-carboxylate
Smiles: CCOC(=O)N1C(=S)N(C2(C1=O)CCCCC2)c1ccccc1Cl

STK045681
Synonyms: 5-(pyridin-4-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)NC(=O)C1=Cc1ccncc1

STK045713
Synonyms: 3-cyclohexyl-2-[(3-methylbutyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CC(CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)C

STK045717
Synonyms: 2-chloro-5-({[(4-nitrophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(c(c1)C(=O)O)Cl

STK045753
Synonyms: N-benzyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)-3-oxo-2-(2-oxopyridin-1(2H)-yl)propanamide
Smiles: OCCN(C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])Cc1ccccc1

STK045763
Synonyms: N'-[(E)-(5-bromo-2-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)methylidene]acetohydrazide
Smiles: CCC(c1ccc(cc1)OCCOc1ccc(cc1/C=N/NC(=O)C)Br)C

STK045784
Synonyms: 8,8'-(ethane-1,2-diyldisulfanediyl)bis{7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione}
Smiles: OC(Cn1c(SCCSc2nc3c(n2CC(COc2ccc(cc2)Cl)O)c(=O)[nH]c(=O)n3C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK045814
Synonyms: 4-butoxy-N'-[(4-methylphenyl)carbonyl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNC(=O)c1ccc(cc1)C

STK045816
Synonyms: ethyl4-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1(6H)-yl)benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1nc(c2c1oc(=O)cc2C)C

STK045827
Synonyms: S-1,3-benzothiazol-2-yl(4-bromophenyl)methanesulfonothioate
Smiles: Brc1ccc(cc1)CS(=O)(=O)Sc1nc2c(s1)cccc2

STK045837
Synonyms: methylN-(4-oxo-4-{[3-(trifluoromethyl)phenyl]amino}butanoyl)leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)Nc1cccc(c1)C(F)(F)F)CC(C)C

STK045859
Synonyms: 2-[(5-bromo-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
Smiles: Cc1nc2n(c1Br)nc(s2)NCCO

STK045865
Synonyms: (2Z)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-[(2-methylphenyl)imino]-2H-chromene-3-carboxamide
Smiles: Brc1ccc(cc1)c1csc(n1)NC(=O)c1cc2cc(Cl)ccc2o/c/1=N\c1ccccc1C

STK045889
Synonyms: 8-butyl-3,3-dimethyl-6-(piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Smiles: CCCCc1nc(N2CCNCC2)c(c2c1COC(C2)(C)C)C#N

STK045893
Synonyms: 4-(morpholin-4-ylacetyl)-2,3,3a,4-tetrahydropyrrolo[2,1-b]quinazolin-9(1H)-one
Smiles: O=C(N1C2CCCN2C(=O)c2c1cccc2)CN1CCOCC1

STK045911
Synonyms: N-(1-hydroxy-2-methylpropan-2-yl)-1-(3,4,5-trimethoxybenzyl)piperidine-4-carboxamide
Smiles: OCC(NC(=O)C1CCN(CC1)Cc1cc(OC)c(c(c1)OC)OC)(C)C

STK046001
Synonyms: N-{4-[(4-methoxyphenyl)sulfamoyl]phenyl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
Smiles: COc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)COc1cc(C)ccc1C(C)C

STK046016
Synonyms: 2-(2-hydroxy-5-methylphenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Smiles: Cc1ccc(c(c1)C1N=C(O)c2c(N1)sc1c2CCCC1)O

STK046023
Synonyms: 4,4'-[ethane-1,2-diylbis(1H-tetrazole-1,5-diylmethanediyl)]dimorpholine
Smiles: O1CCN(CC1)Cc1nnnn1CCn1nnnc1CN1CCOCC1

STK046031
Synonyms:
Smiles: CNc1sc2c([nH]1)cccc2

STK046039
Synonyms: 1-azabicyclo[2.2.2]oct-3-yl4-methylbenzoate
Smiles: O=C(c1ccc(cc1)C)OC1CN2CCC1CC2

STK046068
Synonyms: 2-amino-6-[(3,4-dichlorobenzyl)sulfanyl]pyridine-3,5-dicarbonitrile
Smiles: N#Cc1cc(C#N)c(nc1SCc1ccc(c(c1)Cl)Cl)N

STK046091
Synonyms: 4-methylphenyl4-oxo-4-({4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl}amino)butanoate
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(cc1C)C)CCC(=O)Oc1ccc(cc1)C

STK046094
Synonyms: 5-{3-[(2-chlorobenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)C(=Cc2cccc(c2)OCc2ccccc2Cl)C(=O)N1

STK046102
Synonyms: 1-(cyclohexylmethyl)-N-(6-hydroxy-6-methylheptan-2-yl)piperidine-4-carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)CC1CCCCC1)CCCC(O)(C)C

STK046106
Synonyms: 1-methyl-5-(2-methyl-1H-imidazol-1-yl)-3-nitro-1H-1,2,4-triazole
Smiles: [O-][N+](=O)c1nc(n(n1)C)n1ccnc1C

STK046137
Synonyms: 4-{[2-(biphenyl-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}benzoicacid
Smiles: OC(=O)c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1c1ccccc1

STK046143
Synonyms: 2-bromo-N-[(E)-1H-indol-3-ylmethylidene]-4-nitroaniline
Smiles: Brc1cc(ccc1/N=C/c1c[nH]c2c1cccc2)[N+](=O)[O-]

STK046162
Synonyms: 5-amino-3-{4-[(7-methyloctyl)oxy]phenyl}-5-oxopentanoicacid
Smiles: CC(CCCCCCOc1ccc(cc1)C(CC(=O)O)CC(=O)N)C

STK046175
Synonyms: 3,3'-[(2-hydroxyphenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one)
Smiles: Oc1ccccc1C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

STK046178
Synonyms: ethyl4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)cyclohex-1-ene-1-carboxylate
Smiles: CCOC(=O)C1=CCC(CC1)n1cnc2c1nc(N)[nH]c2=O

STK046194
Synonyms: 5-chloro-N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-{[(4-methylphenyl)sulfonyl]amino}benzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)Oc1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)C

STK046204
Synonyms: 7-[(7-hydroxy-3,5,5,8a-tetramethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)methoxy]naphthalen-2(1H)-one
Smiles: OC1CC2(C)CC(COc3ccc4c(c3)CC(=O)C=C4)C(=CC2C(C1)(C)C)C

STK046230
Synonyms: N-(4-{[2-(thiophen-2-ylcarbonyl)hydrazinyl]sulfonyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1cccs1

STK046237
Synonyms: 2-({(2E)-3-[(4-methylphenyl)sulfonyl]prop-2-en-1-yl}sulfanyl)-1,3-benzoxazole
Smiles: Cc1ccc(cc1)S(=O)(=O)/C=C/CSc1nc2c(o1)cccc2

STK046250
Synonyms: ethyl6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2ccccc2)oc2c1c(CN(C)C)c(c(c2)Br)O

STK046254
Synonyms: 4,4'-sulfonylbis(2,6-dichlorophenol)
Smiles: Clc1cc(cc(c1O)Cl)S(=O)(=O)c1cc(Cl)c(c(c1)Cl)O

STK046255
Synonyms: 2-{[(2-bromophenyl)carbonyl]amino}-4-hydroxybenzoicacid
Smiles: Oc1ccc(c(c1)NC(=O)c1ccccc1Br)C(=O)O

STK046283
Synonyms: (5,6-dimethyl-1H-benzimidazol-1-yl)(4-nitrophenyl)methanone
Smiles: [O-][N+](=O)c1ccc(cc1)C(=O)n1cnc2c1cc(C)c(c2)C

STK046296
Synonyms: butyl4-{5-[(E)-{2-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]furan-2-yl}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=N/Nc1cc(nc(n1)N1CCOCC1)N1CCOCC1

STK046342
Synonyms: (2Z)-N-(3-chlorophenyl)-2-(hydroxyimino)-6-methoxy-2H-chromene-3-carboxamide
Smiles: COc1ccc2c(c1)cc(/c(=N/O)/o2)C(=O)Nc1cccc(c1)Cl

STK046370
Synonyms: 3-benzyl-6,6-dimethyl-2-[(2-oxobutyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK046385
Synonyms: N-(4-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
Smiles: COc1ccc(cc1)NC1=NCCN1

STK046387
Synonyms: [5-(1-methyl-1H-phenanthro[9,10-d]imidazol-2-yl)thiophen-2-yl](phenyl)methanone
Smiles: O=C(c1ccc(s1)c1nc2c(n1C)c1ccccc1c1c2cccc1)c1ccccc1

STK046406
Synonyms: 3-{[(E)-furan-2-ylmethylidene]amino}benzamide
Smiles: NC(=O)c1cccc(c1)/N=C/c1ccco1

STK046412
Synonyms: N-[4-(biphenyl-4-yl)-5-ethyl-1,3-thiazol-2-yl]-6-chloro-2-oxo-2H-chromene-3-carboxamide
Smiles: CCc1sc(nc1c1ccc(cc1)c1ccccc1)NC(=O)c1cc2cc(Cl)ccc2oc1=O

STK046416
Synonyms: 3-[(2E)-2-(1-carbamothioyl-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoicacid
Smiles: NC(=S)N1N=C(/C(=N\Nc2cccc(c2)C(=O)O)/C1=O)c1ccccc1

STK046421
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-N'-{4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]phenyl}butanediamide
Smiles: COc1cc(OC)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)NCc1ccc2c(c1)OCO2

STK046424
Synonyms: pentane-1,5-diylbis(piperidin-1-ylacetate)
Smiles: O=C(CN1CCCCC1)OCCCCCOC(=O)CN1CCCCC1

STK046485
Synonyms: N''-[(E)-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}methylidene]carbonohydrazonicdiamide
Smiles: CCOc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1Cl

STK046503
Synonyms: N-[3-({[(4-chlorophenyl)carbonyl]carbamothioyl}amino)phenyl]-2-methylbenzamide
Smiles: S=C(NC(=O)c1ccc(cc1)Cl)Nc1cccc(c1)NC(=O)c1ccccc1C

STK046522
Synonyms: N-butyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1cccnc1

STK046550
Synonyms: dimethyl2,2'-naphthalene-1,5-diylbis(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate)
Smiles: COC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc2c1cccc2N1C(=O)c2c(C1=O)cc(cc2)C(=O)OC

STK046568
Synonyms: 2-methoxy-5-[(E)-(2-phenylhydrazinylidene)methyl]phenol
Smiles: COc1ccc(cc1O)/C=N/Nc1ccccc1

STK046570
Synonyms: 2-(2,4-dichlorophenoxy)-N'-[(E)-{5-[(Z)-(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl}methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Cl)Cl)N/N=C/c1cc(/N=N\c2ccc(c(c2)C)C)ccc1O

STK046576
Synonyms: 4-{(1E)-1-[2-(4-nitrophenyl)hydrazinylidene]propyl}phenol
Smiles: CC/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/c1ccc(cc1)O

STK046587
Synonyms: 1H-benzotriazol-1-yl[3-(dimethylamino)phenyl]methanone
Smiles: CN(c1cccc(c1)C(=O)n1nnc2c1cccc2)C

STK046596
Synonyms: 1,1'-[(2,5-dimethyl-3-nitrobenzene-1,4-diyl)dimethanediyl]bis(1H-pyrazole)
Smiles: [O-][N+](=O)c1c(C)c(Cn2cccn2)cc(c1Cn1cccn1)C

STK046628
Synonyms: 2-amino-1'-methyl-5-oxo-5,6,7,8-tetrahydrospiro[chromene-4,4'-piperidine]-3-carbonitrile
Smiles: N#CC1=C(N)OC2=C(C31CCN(CC3)C)C(=O)CCC2

STK046636
Synonyms: 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(CC1Nc2ccccc2NC1=O)Nc1ccc(cc1)C(C)C

STK046642
Synonyms: 2-bromo-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]benzohydrazide
Smiles: Oc1ccc(c(c1)O)/C=N/NC(=O)c1ccccc1Br

STK046660
Synonyms: 4-hydroxy-3-[2-(morpholin-4-yl)-2-oxoethyl]quinolin-2(1H)-one
Smiles: O=C(N1CCOCC1)Cc1c(=O)[nH]c2c(c1O)cccc2

STK046676
Synonyms: 2-chloro-4-nitrophenyl4-butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)[N+](=O)[O-]

STK046691
Synonyms: 1-[(2Z)-2-{1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]anthracene-9,10-dione
Smiles: Brc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc3c2C(=O)c2ccccc2C3=O)/C1=O)C

STK046692
Synonyms: N-(3,4-dimethylphenyl)-2-[(2Z)-4-oxo-3-(propan-2-yl)-2-(propan-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
Smiles: O=C(CC1S/C(=N\C(C)C)/N(C1=O)C(C)C)Nc1ccc(c(c1)C)C

STK046694
Synonyms: 4-hydroxy-N-(6-methylpyridin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Smiles: Cc1cccc(n1)NC(=O)c1c(=O)[nH]c2c(c1O)cccc2

STK046697
Synonyms: 2-(4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinolin-3-yl)quinazolin-4(3H)-one
Smiles: CCCn1c(=O)c(c2nc3ccccc3c(=O)[nH]2)c(c2c1cccc2)O

STK046737
Synonyms: N'-phenyl-4'-(trifluoromethyl)biphenyl-2-carbohydrazide
Smiles: O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NNc1ccccc1

STK046740
Synonyms: (5-chloro-2-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}phenyl)(phenyl)methanone
Smiles: COc1cc(/C=N/c2ccc(cc2C(=O)c2ccccc2)Cl)ccc1O

STK046761
Synonyms: 6-ethyl-7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-ylpiperidine-1-carbodithioate
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)SC(=S)N1CCCCC1

STK046767
Synonyms: 1-(3-methoxyphenyl)-3-{5-[(4-propylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Smiles: CCCc1ccc(cc1)OCc1nnc(s1)NC(=O)Nc1cccc(c1)OC

STK046773
Synonyms: 2-cyclohexylidene-N-(3-methylphenyl)hydrazinecarbothioamide
Smiles: S=C(Nc1cccc(c1)C)NN=C1CCCCC1

STK046802
Synonyms: 1-(cyclohex-3-en-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
Smiles: COc1cc(CCN(C(=O)C2CCN(CC2)CC2CCC=CC2)C)ccc1OC

STK046809
Synonyms: N,N'-[sulfanediylbis(2-phenyl-1H-inden-3-yl-1-ylidene)]dinaphthalen-2-amine
Smiles: c1ccc(cc1)C1=C(SC2=C(c3ccccc3)/C(=N\c3ccc4c(c3)cccc4)/c3c2cccc3)c2c(/C/1=N\c1ccc3c(c1)cccc3)cccc2

STK046811
Synonyms: 4-(2,4-dichlorophenyl)-6-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(=S)[nH]c(cc1c1ccc(cc1Cl)Cl)c1cccs1

STK046850
Synonyms: 1H-indol-2-yl(2-methylphenyl)methanone
Smiles: Cc1ccccc1C(=O)c1cc2c([nH]1)cccc2

STK046852
Synonyms: N-(2-chloro-4-{[(4-nitrophenoxy)acetyl]amino}phenyl)furan-2-carboxamide
Smiles: O=C(Nc1ccc(c(c1)Cl)NC(=O)c1ccco1)COc1ccc(cc1)[N+](=O)[O-]

STK046919
Synonyms: methylN-{4-[(4-methoxybenzyl)amino]-4-oxobutanoyl}leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)NCc1ccc(cc1)OC)CC(C)C

STK046947
Synonyms: 1-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-2,2,4-trimethyl-1,2-dihydroquinolin-6-yl(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
Smiles: O=C(Oc1ccc2c(c1)C(=CC(N2C(=O)/C=C/c1ccc(cc1)N(C)C)(C)C)C)/C=C/c1ccc(cc1)N(C)C

STK046951
Synonyms: 3-chloro-4-methoxy-N-(6-methylpyridin-2-yl)benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1cccc(n1)C

STK046954
Synonyms: 2-(4-butoxyphenyl)-5-[4-(4-pentylphenyl)cyclohexyl]-1,3,4-oxadiazole
Smiles: CCCCCc1ccc(cc1)C1CCC(CC1)c1nnc(o1)c1ccc(cc1)OCCCC

STK046960
Synonyms: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-methyltetrahydrofuran-2-yl)ethanone
Smiles: O=C(C1(C)CCCO1)CSc1nc2c([nH]1)cccc2

STK046969
Synonyms: 3-[(3,7-dimethyloct-6-en-1-yl)amino]-N,N-dimethylpropan-1-aminium
Smiles: CC(CCC=C(C)C)CCNCCC[NH+](C)C

STK046981
Synonyms: 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine
Smiles: CCCCCc1ccc(nc1)c1ccc(cc1)OC(F)F

STK046999
Synonyms: 2,2,2-trifluoro-N'-[(4-nitrophenoxy)acetyl]acetohydrazide
Smiles: O=C(COc1ccc(cc1)[N+](=O)[O-])NNC(=O)C(F)(F)F

STK047004
Synonyms: 5-fluoro-1-[(2-oxo-1-oxaspiro[4.4]non-4-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
Smiles: O=C1CC(C2(O1)CCCC2)C(=O)n1cc(F)c(=O)[nH]c1=O

STK047021
Synonyms: 1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-[(4-methoxyphenyl)amino]ethanone
Smiles: COc1ccc(cc1)NCC(=O)n1nc(cc1C)C

STK047031
Synonyms: 1,2-dimethyl-7-nitro-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
Smiles: Cc1n2CCCc3c2c(c1C)ccc3[N+](=O)[O-]

STK047041
Synonyms: N-(4-chlorophenyl)-6-hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxamide
Smiles: CCCCCCc1cc2cc(C(=O)Nc3ccc(cc3)Cl)c(=O)oc2cc1O

STK047043
Synonyms: 5-(prop-2-en-1-yl)-3-[(tetrahydrofuran-2-ylmethyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Smiles: C=CCn1c2ccccc2c2c1nc(SCC1CCCO1)nn2

STK047044
Synonyms: 1-(2-phenyl-1,3-thiazol-5-yl)methanamineethanedioate
Smiles: OC(=O)C(=O)O.NCc1cnc(s1)c1ccccc1

STK047072
Synonyms: 4-[4-(4-methylphenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1ccncc1

STK047129
Synonyms: {4-(4-bromophenyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl}aceticacid
Smiles: OC(=O)Cc1sc(nc1c1ccc(cc1)Br)c1ccc(cc1)N(C)C

STK047135
Synonyms: 5-{[(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetyl]amino}benzene-1,3-diyldiacetate
Smiles: O=C(Nc1cc(OC(=O)C)cc(c1)OC(=O)C)CC1SC(=N)NC1=O

STK047154
Synonyms: 2-imino-6-[(E)-phenyldiazenyl]-2H-chromene-3-carboxamide
Smiles: NC(=O)c1cc2cc(/N=N/c3ccccc3)ccc2oc1=N

STK047168
Synonyms: 3-(2-cyclopropyl-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
Smiles: O=C(C1CC1)CC1(O)C(=O)Nc2c1cccc2

STK047193
Synonyms: 1,4-di-tert-butyl-1,4-dihydro-5H-tetrazol-5-iminium
Smiles: CC(n1nnn(c1=[NH2+])C(C)(C)C)(C)C

STK047218
Synonyms: 7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5(4H)-one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnn2

STK047219
Synonyms: (5Z)-5-(3-bromobenzylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cccc(c2)Br)/C1=O

STK047235
Synonyms: 6-chloro-2-methyl-1,2,3,4-tetrahydroquinolin-4-ol
Smiles: CC1CC(O)c2c(N1)ccc(c2)Cl

STK047261
Synonyms: 2,2,2-trichloro-1-{[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}ethanol
Smiles: Clc1nc(nc(n1)N(C)C)NC(C(Cl)(Cl)Cl)O

STK047314
Synonyms: methyl4-cyano-5-{[(2-iodophenyl)carbonyl]amino}-3-methylthiophene-2-carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccccc1I

STK047386
Synonyms: 7-methoxy-1-methyl-9H-beta-carboline
Smiles: COc1ccc2c(c1)[nH]c1c2ccnc1C

STK047392
Synonyms: 1-[(E)-(propan-2-ylimino)methyl]-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
Smiles: CC(/N=C/c1c(O)ccc2c1c1CCCCc1o2)C

STK047396
Synonyms: N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]pentanamide
Smiles: CCCCC(=O)Nc1ccc2c(c1)nc(o2)c1ccccc1C

STK047428
Synonyms: 2,4-dichloro-N-[(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)carbamoyl]benzamide
Smiles: O=C(NC(=O)c1ccc(cc1Cl)Cl)Nc1nn2c(s1)nc(cc2=O)C

STK047434
Synonyms: N-(3-oxo-5-phenylpyrazolidin-4-yl)acetamide
Smiles: CC(=O)NC1C(=O)NNC1c1ccccc1

STK047449
Synonyms: (2E)-3-(2,4-dichlorophenyl)-N-[(6-methylpyridin-2-yl)carbamothioyl]prop-2-enamide
Smiles: S=C(Nc1cccc(n1)C)NC(=O)/C=C/c1ccc(cc1Cl)Cl

STK047451
Synonyms: (10Z)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Smiles: Fc1ccc(cc1)n1c(C)cc(c1C)/C=c/1\sc2=NC3=C(C(n2c1=O)c1ccccc1)CCc1c3cccc1

STK047464
Synonyms: 1-(5-bromo-1-methyl-1H-indol-3-yl)ethanone
Smiles: Brc1ccc2c(c1)c(cn2C)C(=O)C

STK047483
Synonyms: (4-hydroxy-2,6-dimethyl-3,4-dihydroquinolin-1(2H)-yl)(phenyl)methanone
Smiles: Cc1ccc2c(c1)C(O)CC(N2C(=O)c1ccccc1)C

STK047498
Synonyms: 2-[(E)-(dibenzo[b,d]furan-3-ylimino)methyl]-4-methylphenol
Smiles: Cc1ccc(c(c1)/C=N/c1ccc2c(c1)oc1c2cccc1)O

STK047499
Synonyms: 4-iodo-N-[6-methyl-2-(4-methylphenyl)-2H-benzotriazol-5-yl]benzamide
Smiles: Cc1ccc(cc1)n1nc2c(n1)cc(c(c2)NC(=O)c1ccc(cc1)I)C

STK047513
Synonyms: 1-(piperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Smiles: O=C(N1CCCCC1)CSc1ncn[nH]1

STK047520
Synonyms: N'-decanoyl-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
Smiles: CCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)C

STK047526
Synonyms: 6-(4-bromophenyl)-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Smiles: N#Cc1c(=S)[nH]c(cc1c1ccc(cc1)OC)c1ccc(cc1)Br

STK047533
Synonyms: 2-phenyl-N-(pyridin-4-yl)acetamide
Smiles: O=C(Nc1ccncc1)Cc1ccccc1

STK047556
Synonyms: 1-(3-ethoxy-2-hydroxybenzyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
Smiles: CCOc1cccc(c1O)CN1CCC(CC1)C(=O)NC(CO)(C)C

STK047583
Synonyms: benzyl2-(5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)hydrazinecarbodithioate
Smiles: S=C(SCc1ccccc1)NNc1nn2c(s1)nccc2=O

STK047604
Synonyms: 2,2'-benzene-1,4-diylbis[5-(prop-2-en-1-yl)pyridine]
Smiles: C=CCc1ccc(nc1)c1ccc(cc1)c1ccc(cn1)CC=C

STK047635
Synonyms: 3-(benzyloxy)-2-[(4-methylpyrimidin-2-yl)oxy]-3,3-diphenylpropanoicacid
Smiles: OC(=O)C(C(c1ccccc1)(c1ccccc1)OCc1ccccc1)Oc1nccc(n1)C

STK047648
Synonyms: (1E)-N-hydroxy-1-(2-methyl-1H-indol-3-yl)propan-1-imine
Smiles: CC/C(=N\O)/c1c(C)[nH]c2c1cccc2

STK047651
Synonyms: 6-bromo-3-{4-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-thiazol-2-yl}-2H-chromen-2-one
Smiles: CCN(c1ccc2c(c1)oc(=O)c(c2)c1csc(n1)c1cc2cc(Br)ccc2oc1=O)CC

STK047652
Synonyms: 7-chloro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-ol
Smiles: Clc1ccc2c(c1)nc(cc2O)/C=C/c1ccc(o1)[N+](=O)[O-]

STK047657
Synonyms: N-cyclohexyl-3,4-dimethylbenzamide
Smiles: O=C(c1ccc(c(c1)C)C)NC1CCCCC1

STK047678
Synonyms: 7-(2-chloro-6-fluorobenzyl)-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CNc1nc2c(n1Cc1c(F)cccc1Cl)c(=O)n(c(=O)n2C)C)O

STK047688
Synonyms: 4-[({4-[(7-methyloctyl)oxy]phenyl}carbonyl)amino]butanoicacid
Smiles: CC(CCCCCCOc1ccc(cc1)C(=O)NCCCC(=O)O)C

STK047703
Synonyms: 2-chloro-N-(1-{1-[(1E)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-1H-tetrazol-5-yl}cyclohexyl)aniline
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(C(C)(C)C)n1nnnc1C1(CCCCC1)Nc1ccccc1Cl

STK047721
Synonyms: 1-(azepan-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
Smiles: OC(CN1CCCCCC1)CN1CCN(CC1)C

STK047729
Synonyms: 2-(4-bromo-2,6-dimethylphenoxy)acetohydrazide
Smiles: NNC(=O)COc1c(C)cc(cc1C)Br

STK047746
Synonyms: N'-[(2-bromophenyl)carbonyl]-4'-methoxybiphenyl-4-carbohydrazide
Smiles: COc1ccc(cc1)c1ccc(cc1)C(=O)NNC(=O)c1ccccc1Br

STK047753
Synonyms: 4-methoxy-N-({2-[(2-methylphenyl)carbonyl]hydrazinyl}carbonothioyl)benzamide
Smiles: COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccccc1C

STK047759
Synonyms: 8-methoxy-4,4-dimethyl-1-(propanoylsulfanyl)-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium
Smiles: CCC(=O)Sc1[s+]sc2c1c1cc(OC)ccc1NC2(C)C

STK047806
Synonyms: 2-[(1,3-benzodioxol-5-ylmethyl)(benzyl)amino]ethanol
Smiles: OCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2

STK047874
Synonyms: 3-chloro-4-methoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
Smiles: COc1ccc(cc1Cl)C(=O)Nc1cccc(c1C)c1nc2c(o1)cccn2

STK047876
Synonyms: benzene-1,4-diylbis[(E)diazene-2,1-diyl-5-methyl-2-(propan-2-yl)benzene-4,1-diyl]bis(4'-octylbiphenyl-4-carboxylate)
Smiles: CCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1cc(C)c(cc1C(C)C)/N=N/c1ccc(cc1)/N=N/c1cc(C(C)C)c(cc1C)OC(=O)c1ccc(cc1)c1ccc(cc1)CCCCCCCC

STK047879
Synonyms: 6-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Smiles: COc1ccc(cc1OC)CCN1CNc2c(C1)c(=O)n(c(=O)n2C)C

STK047881
Synonyms: 1-(2-ethoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
Smiles: CCOc1ccccc1N1CCN(CC1)Cc1ccccn1

STK047883
Synonyms: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)-2-methylbutanamide
Smiles: CCC(C(=O)Nc1c2CCCc2nc2c1CCCC2)C

STK047898
Synonyms: 4-({N-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)glycyl}amino)benzamide
Smiles: O=C(CN(S(=O)(=O)c1ccc(cc1)C)CCc1ccccc1)Nc1ccc(cc1)C(=O)N

STK047920
Synonyms: 3-cyclohexyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

STK047923
Synonyms: (3E)-3-{2-[(2-chloro-4-nitrophenyl)carbonyl]hydrazinylidene}-N-(2-methoxyethyl)butanamide
Smiles: COCCNC(=O)C/C(=N/NC(=O)c1ccc(cc1Cl)[N+](=O)[O-])/C

STK047928
Synonyms: 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(pentan-2-yl)acetamide
Smiles: CCCC(NC(=O)CN1C(=O)c2c(C1=O)cccc2)C

STK047934
Synonyms: butyl4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1(4H)-yl)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)n1c(C)nc(=O)c(c1C)c1ccccc1

STK047950
Synonyms: 6-[(E)-2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
Smiles: COc1cc(/C=C/c2n(C)c(=O)n(c(=O)c2[N+](=O)[O-])C)cc(c1O)OC

STK047962
Synonyms: 1-[(diethoxyphosphoryl)methyl]proline
Smiles: CCOP(=O)(CN1CCCC1C(=O)O)OCC

STK047966
Synonyms: N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
Smiles: CCOc1ccc(cc1)C(=O)Nc1cccc(c1C)c1nc2c(o1)ccc(c2)Cl

STK047968
Synonyms: N-carbamimidoyl-4-{[(E)-(4-hydroxyphenyl)methylidene]amino}benzenesulfonamide
Smiles: NC(=N)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)O

STK047987
Synonyms: [benzene-1,4-diylbis(1H-tetrazole-1,5-diyl)]bis(N,N,N-trimethylmethanaminium)
Smiles: C[N+](Cc1nnnn1c1ccc(cc1)n1nnnc1C[N+](C)(C)C)(C)C

STK048013
Synonyms: 2-(diphenylamino)-4,6-diphenylpyridine-3-carbonitrile
Smiles: N#Cc1c(cc(nc1N(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1

STK048034
Synonyms: 4-amino-3,5,6-trichloro-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]pyridine-2-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nc(Cl)c(c(c2Cl)N)Cl)ccc1O

STK048064
Synonyms: N'-[(E)-{5-[(E)-(4-bromophenyl)diazenyl]-2-hydroxy-3-methoxyphenyl}methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
Smiles: COc1cc(/N=N/c2ccc(cc2)Br)cc(c1O)/C=N/NC(=O)c1[nH]nc(c1)C

STK048179
Synonyms: N-butyl-1-(2,4-dimethoxybenzyl)piperidine-4-carboxamide
Smiles: CCCCNC(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC

STK048180
Synonyms: N-(3,4-dichlorophenyl)-2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)N1C(=O)CC(C1=O)SCC(=O)Nc1ccc(c(c1)Cl)Cl

STK048194
Synonyms: (4Z)-4-[2-(9,10-dioxo-9,10-dihydroanthracen-2-yl)hydrazinylidene]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Smiles: NC(=S)N1N=C(/C(=N/Nc2ccc3c(c2)C(=O)c2c(C3=O)cccc2)/C1=O)c1ccccc1

STK048199
Synonyms: ethyl2-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3,3-bis(methylsulfanyl)prop-2-enoate
Smiles: CCOC(=O)C(=C(SC)SC)c1nn2c(s1)nc(cc2=O)C

STK048202
Synonyms: ethyl2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)NC(=O)COc1ccc(cc1)C(C)(C)C

STK048211
Synonyms: N',N'-diphenylbenzenesulfonohydrazide
Smiles: O=S(=O)(c1ccccc1)NN(c1ccccc1)c1ccccc1

STK048214
Synonyms: ethyl(2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoate
Smiles: CCOC(=O)/C(=C/c1ccc(c(c1)OC)OCc1ccc(cc1)F)/C#N

STK048220
Synonyms: 4-[4'-propyl-1,1'-bi(cyclohexyl)-4-yl]phenol
Smiles: CCCC1CCC(CC1)C1CCC(CC1)c1ccc(cc1)O

STK048251
Synonyms: (3Z)-3-[(2-nitrophenyl)imino]-1,3-dihydro-2H-indol-2-one
Smiles: [O-][N+](=O)c1ccccc1/N=C/1\C(=O)Nc2c1cccc2

STK048257
Synonyms: 2-(2-bromophenyl)-5-(4-bromophenyl)-1,3,4-thiadiazole
Smiles: Brc1ccc(cc1)c1nnc(s1)c1ccccc1Br

STK048332
Synonyms: 2-phenoxy-5-(5-[(phenylcarbonyl)amino]-3-{4-[(phenylcarbonyl)amino]phenyl}-1H-pyrazol-1-yl)benzenesulfonicacid
Smiles: O=C(c1ccccc1)Nc1cc(nn1c1ccc(c(c1)S(=O)(=O)O)Oc1ccccc1)c1ccc(cc1)NC(=O)c1ccccc1

STK048363
Synonyms: (2Z)-N-(2-chlorophenyl)-7-hydroxy-2-(hydroxyimino)-2H-chromene-3-carboxamide
Smiles: O/N=c/1\oc2cc(O)ccc2cc1C(=O)Nc1ccccc1Cl

STK048364
Synonyms: 3,5-dichloro-4-methoxy-N-(naphthalen-1-ylcarbamothioyl)benzamide
Smiles: COc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1cccc2c1cccc2

STK048381
Synonyms: (2E)-N-(4,6-dimethylpyrimidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)Nc2nc(C)cc(n2)C)cc(c1OC)OC