Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK010043
Synonyms: (2E)- 4- [tert- butyl(4- nitrobenzyl)amino]- 4- oxobut- 2- enoicacid
Smiles: OC(=O)/C=C/C(=O)N(C(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-]

STK010047
Synonyms: N'- [(2Z)- 6,8- dibromo- 3- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromen- 2- ylidene]- 4- methylbenzohydrazide
Smiles: Brc1cc(Br)c2c(c1)cc(/c(=N/NC(=O)c1ccc(cc1)C)/o2)c1scc(n1)c1ccccc1

STK010052
Synonyms: (2E)- 2- ({1- [2- (4- cyclohexylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- N- phenylhydrazinecarboxamide
Smiles: O=C(Nc1ccccc1)N/N=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1

STK010066
Synonyms: 6- methyl- 4- phenyl- 2- (piperazin- 1- yl)quinazoline
Smiles: Cc1ccc2c(c1)c(nc(n2)N1CCNCC1)c1ccccc1

STK010101
Synonyms: 2- amino- N'- [(E)- (2- hydroxynaphthalen- 1- yl)methylidene]acetohydrazide(non- preferredname)
Smiles: NCC(=O)N/N=C/c1c(O)ccc2c1cccc2

STK010102
Synonyms: 4- (5- {(Z)- [5- cyano- 1- (2- hydroxyethyl)- 4- methyl- 2,6- dioxo- 1,6- dihydropyridin- 3(2H)- ylidene]methyl}furan- 2- yl)benzenesulfonamide
Smiles: OCCN1C(=O)/C(=C\c2ccc(o2)c2ccc(cc2)S(=O)(=O)N)/C(=C(C1=O)C#N)C

STK010117
Synonyms: 5- (2- amino- 1,3- thiazol- 4- yl)- 5- methyl- 3- (propan- 2- yl)dihydrofuran- 2(3H)- one
Smiles: CC(C1CC(OC1=O)(C)c1csc(n1)N)C

STK010121
Synonyms: 2- [2- oxo- 2- (4- phenylpiperazin- 1- yl)ethyl]- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C(N1CCN(CC1)c1ccccc1)CN1C(=O)c2c(C1=O)cccc2

STK010128
Synonyms: ethyl{2- bromo- 4- [(E)- (2,5- dioxoimidazolidin- 4- ylidene)methyl]phenoxy}acetate
Smiles: CCOC(=O)COc1ccc(cc1Br)/C=C\1/NC(=O)NC1=O

STK010144
Synonyms: N- (3- chloropyridin- 2- yl)- 2,3- dihydro- 1,4- benzodioxine- 6- carboxamide
Smiles: O=C(c1ccc2c(c1)OCCO2)Nc1ncccc1Cl

STK010148
Synonyms: N- acetyl- N- (3- benzylidene- 5- phenyl- 1H- 3lambda~5~- imidazol- 2- yl)acetamide
Smiles: CC(=O)N(c1[nH]c(c/n/1=C\c1ccccc1)c1ccccc1)C(=O)C

STK010152
Synonyms: N- (5- bromopyridin- 2- yl)- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1ccc(cn1)Br

STK010156
Synonyms: 4- (4- methoxyphenyl)- 2- thioxo- 1,2,5,6,7,8,9,10- octahydrocycloocta[b]pyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)c1c2CCCCCCc2[nH]c(=S)c1C#N

STK010174
Synonyms: 1- [(E)- amino(1,3- benzothiazol- 2- ylamino)methylidene]- 3- ethylurea
Smiles: CCNC(=O)/N=C(/Nc1nc2c(s1)cccc2)\N

STK010184
Synonyms: 2'- methoxybiphenyl- 4- carboxylicacid
Smiles: COc1ccccc1c1ccc(cc1)C(=O)O

STK010194
Synonyms: (5E)- 5- (4- hydroxy- 3- nitrobenzylidene)- 1- (4- methylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])O)/C1=O

STK010206
Synonyms: N- (4- cyanophenyl)- N'- [2- (3,4- dimethoxyphenyl)ethyl]butanediamide
Smiles: N#Cc1ccc(cc1)NC(=O)CCC(=O)NCCc1ccc(c(c1)OC)OC

STK010228
Synonyms: 5- hydroxy- 2- ({[4- (4- nitrophenoxy)phenyl]carbonyl}amino)benzoicacid
Smiles: Oc1ccc(c(c1)C(=O)O)NC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]

STK010235
Synonyms: 2- amino- 6- methoxy- 9- methyl- 9H- pyrido[2,3- b]indole- 3,4- dicarbonitrile
Smiles: N#Cc1c(C#N)c(N)nc2c1c1cc(OC)ccc1n2C

STK010239
Synonyms: (6Z)- 6- {[5- (2- chloro- 4- nitrophenyl)furan- 2- yl]methylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2scc(n2C(=N)/C/1=C/c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])c1ccccc1

STK010250
Synonyms: 1- (4- butylcyclohexyl)- 3- (dimethylamino)propan- 1- one
Smiles: CCCCC1CCC(CC1)C(=O)CCN(C)C

STK010259
Synonyms: methyl{[4- oxo- 3- (prop- 2- en- 1- yl)- 1,2,3,4,5,6,7,8- octahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: C=CCN1C(SCC(=O)OC)Nc2c(C1=O)c1CCCCc1s2

STK010266
Synonyms: methyl4- {[4- (4- methoxyphenyl)- 5- methyl- 1,3- thiazol- 2- yl]amino}benzoate
Smiles: COc1ccc(cc1)c1nc(sc1C)Nc1ccc(cc1)C(=O)OC

STK010314
Synonyms: N'- (2,4- dinitrophenyl)tricyclo[3.3.1.1~3,7~]decane- 1- carbohydrazide
Smiles: O=C(C12CC3CC(C2)CC(C1)C3)NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK010316
Synonyms: [4- (2,4- dimethylphenyl)- 4- (hydroxy- kappaO)but- 3- en- 2- onato- kappaO](difluoro)boron
Smiles: Cc1ccc(c(c1)C)C1=CC(=[O+][B-](O1)(F)F)C

STK010331
Synonyms: (6Z)- 2- ethyl- 5- imino- 6- [4- (1- phenylethoxy)benzylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OC(c3ccccc3)C)/C2=N)s1

STK010358
Synonyms: N- (4- chlorophenyl)- 2- [(2,2- dimethylpropanoyl)amino]- 6- methyl- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: CC1CCc2c(C1)sc(c2C(=O)Nc1ccc(cc1)Cl)NC(=O)C(C)(C)C

STK010374
Synonyms: ethyl(2Z)- 2- {[1- (4- chlorobenzyl)- 2- methyl- 1H- indol- 3- yl]methylidene}- 7- methyl- 5- [4- (methylsulfanyl)phenyl]- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C/c1c(C)n(c3c1cccc3)Cc1ccc(cc1)Cl)/s2

STK010393
Synonyms: (2E)- 2- (4- {3- [2- (butan- 2- yl)phenoxy]propoxy}- 3- ethoxybenzylidene)hydrazinecarboxamide
Smiles: CCOc1cc(/C=N/NC(=O)N)ccc1OCCCOc1ccccc1C(CC)C

STK010400
Synonyms: N- methyl- N- (4- {(2Z)- 2- [3- (4- nitrophenyl)- 5- oxo- 1- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}phenyl)acetamide
Smiles: CC(=O)N(c1ccc(cc1)N/N=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-])C

STK010434
Synonyms: 3- [(4- ethylpiperazin- 1- yl)methyl]- 8- methyl- 2- (4- methylphenyl)imidazo[1,2- a]pyridine
Smiles: CCN1CCN(CC1)Cc1c(nc2n1cccc2C)c1ccc(cc1)C

STK010456
Synonyms: (6E)- 6- {5- bromo- 2- [(2- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- propyl- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCc1nn2c(=NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3Cl)/C2=N)s1

STK010463
Synonyms: ethyl1- [(4- ethoxyphenyl)carbonyl]piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)OCC

STK010492
Synonyms: N'- [(E)- biphenyl- 4- yl(phenyl)methylidene]- 3- phenylpropanehydrazide
Smiles: O=C(N/N=C(/c1ccc(cc1)c1ccccc1)\c1ccccc1)CCc1ccccc1

STK010527
Synonyms: 3- (benzyloxy)- N- (3- methylpyridin- 2- yl)benzamide
Smiles: O=C(c1cccc(c1)OCc1ccccc1)Nc1ncccc1C

STK010530
Synonyms: (5- bromo- 1H- indol- 3- yl)methanol
Smiles: OCc1c[nH]c2c1cc(Br)cc2

STK010546
Synonyms: {[(4E)- 4- [(4- chlorophenyl)imino]- 1- (cyanomethyl)- 1,3- diazaspiro[4.4]non- 2- en- 2- yl]sulfanyl}aceticacid
Smiles: N#CCN1C(=N/C(=N/c2ccc(cc2)Cl)/C21CCCC2)SCC(=O)O

STK010548
Synonyms: 1- (2,4- dimethoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC)C

STK010561
Synonyms: N- [(E)- naphthalen- 1- ylmethylidene]pyridin- 2- amine
Smiles: c1ccc(nc1)/N=C/c1cccc2c1cccc2

STK010566
Synonyms: N- (4- chloro- 2- nitrophenyl)- 3- methylbenzamide
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1cccc(c1)C

STK010615
Synonyms: 4- {5- [(1Z)- 2- cyano- 3- {[2- (1H- indol- 3- yl)ethyl]amino}- 3- oxoprop- 1- en- 1- yl]furan- 2- yl}benzoicacid
Smiles: N#C/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)O)/C(=O)NCCc1c[nH]c2c1cccc2

STK010622
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 3- chloronaphthalene- 1,4- dione
Smiles: O=C1C(=C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)C(=O)c2c1cccc2)Cl

STK010628
Synonyms: N- [3- (dimethylamino)- 2,2- dimethylpropyl]- 1- [(5- methylfuran- 2- yl)methyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccc(o1)C)(C)C)C

STK010632
Synonyms: (3E)- 3- {2- [(4- methoxyphenyl)acetyl]hydrazinylidene}- N- (pyridin- 2- yl)butanamide
Smiles: COc1ccc(cc1)CC(=O)N/N=C(/CC(=O)Nc1ccccn1)\C

STK010642
Synonyms: 8- [(2E)- 2- (5- bromo- 1- methyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]- 7- (2- hydroxy- 3- phenoxypropyl)- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C/2\c3cc(Br)ccc3N(C2=O)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

STK010646
Synonyms: 3- (2- methoxybenzyl)- 5- (2- methylphenyl)- 1,2,4- oxadiazole
Smiles: COc1ccccc1Cc1noc(n1)c1ccccc1C

STK010649
Synonyms: O- {[2,2'- bis(dimethylamino)- 2,2'- disulfido- 4,4'- bi- 1,3,2- dioxaphosphol- 5- yl]methyl}N,N,N',N'- tetramethylphosphorodiamidothioate
Smiles: CN(P1(=S)OC(C(O1)COP(=S)(N(C)C)N(C)C)C1COP(=S)(O1)N(C)C)C

STK010669
Synonyms: 1- ethyl- 3- {[(E)- thiophen- 2- ylmethylidene]amino}- 1,3- dihydro- 2H- benzimidazole- 2- thione
Smiles: CCn1c(=S)n(c2c1cccc2)/N=C/c1cccs1

STK010676
Synonyms: 3- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)benzamide
Smiles: O=C1C=CC(=O)N1c1cccc(c1)C(=O)N

STK010733
Synonyms: 1- (3- {[4- (4- butyl- 2- methyl- 5- oxotetrahydrofuran- 2- yl)- 1,3- thiazol- 2- yl]amino}propyl)thiourea
Smiles: CCCCC1CC(OC1=O)(C)c1csc(n1)NCCCNC(=S)N

STK010740
Synonyms: N- {2- [(2- fluorobenzyl)sulfanyl]- 1,3- benzothiazol- 6- yl}propanamide
Smiles: CCC(=O)Nc1ccc2c(c1)sc(n2)SCc1ccccc1F

STK010746
Synonyms: 2- chloro- 5- ({[(2E)- 3- (4- chlorophenyl)prop- 2- enoyl]carbamothioyl}amino)benzoicacid
Smiles: O=C(NC(=S)Nc1ccc(c(c1)C(=O)O)Cl)/C=C/c1ccc(cc1)Cl

STK010755
Synonyms: 1,8,8- trimethyl- 1,3,4,7,8,10- hexahydro- 2H,6H- pyrimido[1,2- a]thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 6- one
Smiles: CN1CCCn2c1nc1sc3c(c1c2=O)CC(SC3)(C)C

STK010761
Synonyms: (5E)- 5- (3- bromo- 5- chloro- 4- hydroxybenzylidene)- 3- (2- fluorobenzyl)imidazolidine- 2,4- dione
Smiles: O=C1N/C(=C/c2cc(Cl)c(c(c2)Br)O)/C(=O)N1Cc1ccccc1F

STK010767
Synonyms: 5- ({1- [2- (4- cyclohexylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)C(=Cc2c(C)n(c3c2cccc3)CCOc2ccc(cc2)C2CCCCC2)C(=O)N1

STK010769
Synonyms: 2- (4- fluorophenyl)- 3- (morpholin- 4- ylmethyl)imidazo[2,1- b][1,3]benzothiazole
Smiles: Fc1ccc(cc1)c1nc2n(c1CN1CCOCC1)c1c(s2)cccc1

STK010810
Synonyms: 8- amino- 1,3- dimethyl- 9- nitrobenzo[g]pteridine- 2,4(1H,3H)- dione
Smiles: O=c1n(C)c2nc3c(nc2c(=O)n1C)ccc(c3[N+](=O)[O-])N

STK010814
Synonyms: 2- (2,5- dimethyl- 1H- indol- 3- yl)- N- (thiophen- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(C)[nH]c2c1cc(C)cc2)NCc1cccs1

STK010818
Synonyms: N- (3- methylbutyl)pyridine- 4- carboxamide
Smiles: CC(CCNC(=O)c1ccncc1)C

STK010820
Synonyms: 2,4- dichloro- N- [4- ({[(3- nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]benzamide
Smiles: S=C(NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)NC(=O)c1ccc(cc1Cl)Cl

STK010837
Synonyms: 5- methyl- 5- [2- (phenylamino)- 1,3- thiazol- 4- yl]dihydrofuran- 2(3H)- one
Smiles: O=C1CCC(O1)(C)c1csc(n1)Nc1ccccc1

STK010840
Synonyms: methyl(1S,2R,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- (pyridin- 3- yl)- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cccnc1)C(=O)N)C(=O)C

STK010874
Synonyms: N'- {[2- (4- tert- butylphenoxy)acetyl]oxy}pyridine- 2- carboximidamide
Smiles: O=C(COc1ccc(cc1)C(C)(C)C)O/N=C(/c1ccccn1)\N

STK010879
Synonyms: (4Z)- 4- [(6- fluoro- 4- oxo- 4H- chromen- 3- yl)methylidene]- 5- methyl- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: Fc1ccc2c(c1)c(=O)c(co2)/C=C\1/C(=NN(C1=O)c1ccccc1)C

STK010900
Synonyms: N- {(2Z)- 3- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: COc1ccc(cc1)c1csc(n1)c1cc2ccccc2o/c/1=N\c1nccs1

STK010902
Synonyms: 1,3- dimethyl- 6- (2- methylphenyl)- 1H- pyrrolo[3,4- d]pyrimidine- 2,4(3H,6H)- dione
Smiles: O=c1c2cn(cc2n(c(=O)n1C)C)c1ccccc1C

STK010904
Synonyms: 3- (3- {[(1E,2E)- 3- (2- nitrophenyl)prop- 2- en- 1- ylidene]amino}phenyl)- 2H- chromen- 2- one
Smiles: O=c1oc2ccccc2cc1c1cccc(c1)/N=C/C=C/c1ccccc1[N+](=O)[O-]

STK010918
Synonyms: 4- [3- (2- chloro- 6- fluorobenzyl)- 1,2,4- oxadiazol- 5- yl]benzonitrile
Smiles: N#Cc1ccc(cc1)c1onc(n1)Cc1c(F)cccc1Cl

STK010925
Synonyms: 3- fluoro- N- {[4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1cccc(c1)F)Nc1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK010949
Synonyms:
Smiles: Clc1ccc(cc1Cl)/C=N/n1c[nH]nc1

STK010960
Synonyms: tert- butyl(2E)- 2- [2,2,2- trifluoro- 1- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)ethylidene]hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C(/C(F)(F)F)\c1c(C)nn(c1O)c1ccccc1

STK010973
Synonyms: 1,1'- piperazine- 1,4- diylbis[2,2- difluoro- 2- (2,3,3,4,4,5,5- heptafluorotetrahydrofuran- 2- yl)ethanone]
Smiles: O=C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)N1CCN(CC1)C(=O)C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F

STK010980
Synonyms: (4Z)- 4- (5- chloro- 2- hydroxy- 3- methoxybenzylidene)- 1- (4- fluorophenyl)pyrazolidine- 3,5- dione
Smiles: COc1cc(Cl)cc(c1O)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)F

STK011001
Synonyms: 1- [4- (benzyloxy)benzyl]- N- [3- (dimethylamino)- 2,2- dimethylpropyl]piperidine- 4- carboxamide
Smiles: CN(CC(CNC(=O)C1CCN(CC1)Cc1ccc(cc1)OCc1ccccc1)(C)C)C

STK011016
Synonyms: 5- nitro- 3- propyl- 1,2,4- oxadiazole
Smiles: CCCc1noc(n1)[N+](=O)[O-]

STK011065
Synonyms: (6Z)- 6- {3- [2- (4- hexylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (phenoxymethyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCCCCCc1ccc(cc1)OCCOc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1

STK011073
Synonyms: 2,8- dimethyl- 3- (morpholin- 4- ylmethyl)- 5,6- dihydrodipyrrolo[1,2- a:2',1'- c]pyrazine
Smiles: Cc1cc2n(c1CN1CCOCC1)CCn1c2ccc1C

STK011099
Synonyms: methyl5- [(1E)- 1- cyanoprop- 1- en- 2- yl]- 4- methyl- 2- {[(4- nitrophenyl)carbonyl]amino}thiophene- 3- carboxylate
Smiles: N#C/C=C(/c1sc(c(c1C)C(=O)OC)NC(=O)c1ccc(cc1)[N+](=O)[O-])\C

STK011115
Synonyms: N- [(3- hydroxypyridin- 2- yl)carbamothioyl]- 2- methyl- 3- nitrobenzamide
Smiles: S=C(Nc1ncccc1O)NC(=O)c1cccc(c1C)[N+](=O)[O-]

STK011116
Synonyms: 3,7- dibenzyl- 2- (prop- 2- en- 1- ylsulfanyl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C3)Cc1ccccc1

STK011144
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- phenyl- 3- [4- (piperidin- 1- ylcarbonyl)piperidin- 1- yl]propane- 1,3- dione
Smiles: Clc1ccc(=O)n(c1)C(C(=O)c1ccccc1)C(=O)N1CCC(CC1)C(=O)N1CCCCC1

STK011168
Synonyms: 2- (4- bromophenyl)- 5- (4- chlorophenyl)- 1,3,4- thiadiazole
Smiles: Clc1ccc(cc1)c1nnc(s1)c1ccc(cc1)Br

STK011173
Synonyms: 5- [4- (1,1,2,2,3,3- hexafluoropropoxy)phenyl]- 3- (2- methylphenyl)- 1,2,4- oxadiazole
Smiles: FC(C(C(Oc1ccc(cc1)c1onc(n1)c1ccccc1C)(F)F)(F)F)F

STK011177
Synonyms: 1- (2- chloro- 6- fluorobenzyl)- N- [2- (3,4- dimethoxyphenyl)ethyl]- N- methylpiperidine- 4- carboxamide
Smiles: COc1ccc(cc1OC)CCN(C(=O)C1CCN(CC1)Cc1c(F)cccc1Cl)C

STK011186
Synonyms: (6Z)- 6- {3- bromo- 4- [3- (4- chlorophenoxy)propoxy]- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCCOc1ccc(cc1)Cl)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK011197
Synonyms: sodiumS- [2- ({[2- (1H- indol- 3- yl)ethyl]carbamoyl}oxy)ethyl]sulfurothioate
Smiles: O=C(OCCSS(=O)(=O)[O-])NCCc1c[nH]c2c1cccc2.[Na+]

STK011211
Synonyms: (6Z)- 5- imino- 3- phenyl- 6- [(1- {2- [4- (2- phenylpropan- 2- yl)phenoxy]ethyl}- 1H- indol- 3- yl)methylidene]- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2scc(n2C(=N)/C/1=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C(c1ccccc1)(C)C)c1ccccc1

STK011226
Synonyms: 6- [(2E)- 2- (anthracen- 9- ylmethylidene)hydrazinyl]- N,N- dimethyl- 2- (propan- 2- yl)pyrimidin- 4- amine
Smiles: CC(c1nc(N/N=C/c2c3ccccc3cc3c2cccc3)cc(n1)N(C)C)C

STK011239
Synonyms: S- (1- cyclohexyl- 1H- benzimidazol- 2- yl)10H- phenothiazine- 10- carbothioate
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Sc1nc2c(n1C1CCCCC1)cccc2

STK011250
Synonyms: N- {[4- (piperidin- 1- yl)phenyl]carbamothioyl}hexanamide
Smiles: CCCCCC(=O)NC(=S)Nc1ccc(cc1)N1CCCCC1

STK011252
Synonyms: 2- (1H- benzimidazol- 2- ylamino)- 1- methylquinazolin- 4(1H)- one
Smiles: Cn1c(Nc2nc3c([nH]2)cccc3)nc(=O)c2c1cccc2

STK011262
Synonyms: 4- ({[(4- butoxyphenyl)carbonyl]carbamothioyl}amino)- 2- chlorobenzoicacid
Smiles: CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1ccc(c(c1)Cl)C(=O)O

STK011283
Synonyms: 2- {[3- (phenylamino)phenyl]amino}naphthalene- 1,4- dione
Smiles: O=C1C(=CC(=O)c2c1cccc2)Nc1cccc(c1)Nc1ccccc1

STK011284
Synonyms: 2- (methylamino)phenol
Smiles: CNc1ccccc1O

STK011285
Synonyms: (2Z)- 3- {2- methyl- 1- [2- (2- methylphenoxy)ethyl]- 1H- indol- 3- yl}- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccccc1C)/c1ccc(cc1)[N+](=O)[O-]

STK011296
Synonyms: 2- (phenylcarbonyl)- 2- (pyridin- 3- yl)- 1H- indene- 1,3(2H)- dione
Smiles: O=C(C1(c2cccnc2)C(=O)c2c(C1=O)cccc2)c1ccccc1

STK011329
Synonyms: 5- chloro- 3- hydroxy- 3- [2- (2- hydroxyphenyl)- 2- oxoethyl]- 1,3- dihydro- 2H- indol- 2- one
Smiles: Clc1ccc2c(c1)C(O)(CC(=O)c1ccccc1O)C(=O)N2

STK011331
Synonyms: benzyl(8R,8aR)- 6- amino- 5,7,7- tricyano- 8- (2,4,5- trimethoxyphenyl)- 3,7,8,8a- tetrahydroisoquinoline- 2(1H)- carboxylate
Smiles: N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c(cc1OC)OC)(C#N)C#N

STK011335
Synonyms: ethyl(2E)- 2- (4- {2- [(4- chlorophenyl)sulfanyl]ethoxy}benzylidene)hydrazinecarboxylate
Smiles: CCOC(=O)N/N=C/c1ccc(cc1)OCCSc1ccc(cc1)Cl

STK011361
Synonyms: (5Z)- 5- {2- [2- (2- phenoxyethoxy)ethoxy]benzylidene}- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccccc2OCCOCCOc2ccccc2)/C(=O)N1c1ccccc1

STK011362
Synonyms: 5- {4- [(5- methylhexyl)oxy]phenyl}imidazolidine- 2,4- dione
Smiles: CC(CCCCOc1ccc(cc1)C1NC(=O)NC1=O)C

STK011382
Synonyms: methyl5,6- dimethyl- 2- oxo- 1,2- dihydropyridine- 3- carboxylate
Smiles: COC(=O)c1cc(C)c([nH]c1=O)C

STK011387
Synonyms: (4E)- 4- [2- (2,4- dimethylphenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Cc1ccc(c(c1)C)N/N=C/1\C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK011390
Synonyms: 1- [3- (4- tert- butylbenzyl)- 2- imino- 2,3- dihydro- 1H- benzimidazol- 1- yl]- 3- phenoxypropan- 2- ol
Smiles: OC(Cn1c(=N)n(c2c1cccc2)Cc1ccc(cc1)C(C)(C)C)COc1ccccc1

STK011399
Synonyms: N- (6- bromo- 2- oxo- 2H- chromen- 3- yl)benzamide
Smiles: Brc1ccc2c(c1)cc(c(=O)o2)NC(=O)c1ccccc1

STK011416
Synonyms: 2- amino- 4- (4- methoxyphenyl)- 6,7- dihydro- 5H- cyclopenta[b]pyridine- 3- carbonitrile
Smiles: COc1ccc(cc1)c1c(C#N)c(N)nc2c1CCC2

STK011443
Synonyms: 2- [(4- ethylphenyl)amino]- 2- oxoethyl1- (4- methylphenyl)- 5- oxopyrrolidine- 3- carboxylate
Smiles: CCc1ccc(cc1)NC(=O)COC(=O)C1CC(=O)N(C1)c1ccc(cc1)C

STK011444
Synonyms: 6- (2- fluorophenyl)- 1- phenylpyrazolo[3,4- d][1,3]oxazin- 4(1H)- one
Smiles: Fc1ccccc1c1oc(=O)c2c(n1)n(nc2)c1ccccc1

STK011446
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- [2- (morpholin- 4- yl)ethyl]piperidine- 4- carboxamide
Smiles: Fc1ccc(cc1)C(=O)C(n1ccccc1=O)C(=O)N1CCC(CC1)C(=O)NCCN1CCOCC1

STK011457
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]- N- ethyl- N- (2- methylprop- 2- en- 1- yl)piperidine- 4- carboxamide
Smiles: CCN(C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1)CC(=C)C

STK011466
Synonyms: 1- (4- chlorophenyl)- 2- [(2- methoxyphenyl)amino]ethanone
Smiles: COc1ccccc1NCC(=O)c1ccc(cc1)Cl

STK011482
Synonyms: (5Z)- 6- methyl- 2H- [1,3,5,6]thiatriazocino[3,2- a]benzimidazol- 3(4H)- one
Smiles: O=C1NN=C(C)n2c(SC1)nc1c2cccc1

STK011486
Synonyms: 2- methoxy- N- [5- ({2- [(4- methylbenzyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]benzamide
Smiles: COc1ccccc1C(=O)Nc1nnc(s1)SCC(=O)NCc1ccc(cc1)C

STK011506
Synonyms: benzyl2- (acetylamino)- 2- deoxy- 3,4- bis- O- (phenylcarbonyl)- alpha- D- glucopyranoside
Smiles: OC[C@H]1O[C@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)NC(=O)C

STK011518
Synonyms: (4E)- 4- (4- chlorophenyl)- 4- [5- (4- chlorophenyl)- 2- oxo- 1,2- dihydro- 3H- pyrrol- 3- ylidene]butanoicacid
Smiles: OC(=O)CC/C(=C\1/C=C(NC1=O)c1ccc(cc1)Cl)/c1ccc(cc1)Cl

STK011525
Synonyms: [2- methyl- 4- (morpholin- 4- yl)- 1,1- dioxido- 2H- 1,2- benzothiazin- 3- yl](phenyl)methanone
Smiles: O=C(C1=C(N2CCOCC2)c2ccccc2S(=O)(=O)N1C)c1ccccc1

STK011541
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- (3- nitrophenyl)- 3- oxopropanoyl]- N- (2- hydroxyethyl)piperidine- 4- carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK011551
Synonyms: 1- [5- (2- bromophenyl)- 1,3,4- thiadiazol- 2- yl]- 3- (3,4- dimethylphenyl)urea
Smiles: O=C(Nc1nnc(s1)c1ccccc1Br)Nc1ccc(c(c1)C)C

STK011562
Synonyms: N,N'- naphthalene- 1,5- diylbis(4- iodobenzamide)
Smiles: Ic1ccc(cc1)C(=O)Nc1cccc2c1cccc2NC(=O)c1ccc(cc1)I

STK011576
Synonyms: 2- [(3,4- dichlorobenzyl)sulfanyl]- 3- (2- methylprop- 2- en- 1- yl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CC(=C)Cn1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCc1s2

STK011582
Synonyms: 2- [4- (dimethylamino)phenyl]- N- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 1,3- benzoxazol- 5- amine
Smiles: CN(c1ccc(cc1)c1oc2c(n1)cc(cc2)/N=C/c1ccc(s1)[N+](=O)[O-])C

STK011603
Synonyms: N- ({4- [(thiophen- 2- ylcarbonyl)amino]phenyl}carbamothioyl)thiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1cccs1)Nc1ccc(cc1)NC(=O)c1cccs1

STK011630
Synonyms: 5- [(2,4,6- trimethylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- amine
Smiles: Cc1cc(C)c(c(c1)C)CSc1nnc(s1)N

STK011642
Synonyms: tert- butyl(2E)- 2- (5- bromo- 2- hydroxy- 3- methoxybenzylidene)hydrazinecarboxylate
Smiles: COc1cc(Br)cc(c1O)/C=N/NC(=O)OC(C)(C)C

STK011693
Synonyms: (2Z)- 2- ({1- [3- (3,4- dimethylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: Cc1ccc(cc1C)OCCCn1cc(c2c1cccc2)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK011700
Synonyms: (5Z)- 5- (2- chloro- 5- nitrobenzylidene)- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: [O-][N+](=O)c1cc(/C=C/2\SC(=S)N(C2=O)C)c(cc1)Cl

STK011712
Synonyms: 1- (4- chlorophenyl)- 3- [5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1ccccc1c1nnc(s1)NC(=O)Nc1ccc(cc1)Cl

STK011726
Synonyms: N- (3- methoxypropyl)- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK011733
Synonyms: 4- (4- methoxyphenyl)- N- [(5- methylfuran- 2- yl)methyl]phthalazin- 1- amine
Smiles: COc1ccc(cc1)c1nnc(c2c1cccc2)NCc1ccc(o1)C

STK011755
Synonyms: (5- nitro- 1H- benzimidazol- 2- yl)acetonitrile
Smiles: N#CCc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]

STK011760
Synonyms: N- (5- methylpyridin- 2- yl)- 2- phenylquinoline- 4- carboxamide
Smiles: Cc1ccc(nc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1

STK011769
Synonyms: ethylN- [(3,4- dimethoxycyclohexa- 2,4- dien- 1- yl)carbonyl]glycinate
Smiles: CCOC(=O)CNC(=O)C1CC=C(C(=C1)OC)OC

STK011781
Synonyms: 6- amino- 1- (3- chlorophenyl)- 4- (4- chlorophenyl)- 3- methyl- 4,7- dihydro- 1H- indazole- 5- carbonitrile
Smiles: N#CC1=C(N)Cc2c(C1c1ccc(cc1)Cl)c(C)nn2c1cccc(c1)Cl

STK011817
Synonyms: methyl[4- bromo- 2- (morpholin- 4- ylmethyl)phenoxy]acetate
Smiles: COC(=O)COc1ccc(cc1CN1CCOCC1)Br

STK011818
Synonyms: (5S)- 5- methyl- 5- {4- [(5- methylhexyl)oxy]phenyl}imidazolidine- 2,4- dione
Smiles: CC(CCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C

STK011827
Synonyms: 1- (3- ethoxy- 2- hydroxybenzyl)- N- (2- phenylethyl)piperidine- 4- carboxamide
Smiles: CCOc1cccc(c1O)CN1CCC(CC1)C(=O)NCCc1ccccc1

STK011828
Synonyms: 4- (4- methylphenyl)- N- (naphthalen- 1- yl)- 4- oxobutanamide
Smiles: O=C(Nc1cccc2c1cccc2)CCC(=O)c1ccc(cc1)C

STK011837
Synonyms: propan- 2- yl4- (2- bromophenyl)- 2- methyl- 6- oxo- 1,4,5,6- tetrahydropyridine- 3- carboxylate
Smiles: O=C1NC(=C(C(C1)c1ccccc1Br)C(=O)OC(C)C)C

STK011848
Synonyms: 1- (3- methoxyphenyl)- 3- [5- (thiophen- 2- yl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)c1cccs1

STK011855
Synonyms: 4- hydroxy- N- (3- hydroxypyridin- 2- yl)- 2- oxo- 1- propyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nc2ncccc2O)c(c2c1cccc2)O

STK011875
Synonyms: 3- bromo- N- [2- chloro- 5- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]- 4- ethoxybenzamide
Smiles: CCOc1ccc(cc1Br)C(=O)Nc1cc(ccc1Cl)c1oc2c(n1)nccc2

STK011885
Synonyms: N'- [(E)- (5- chloro- 3- ethoxy- 2- hydroxyphenyl)methylidene]pyridine- 4- carbohydrazide
Smiles: CCOc1cc(Cl)cc(c1O)/C=N/NC(=O)c1ccncc1

STK011889
Synonyms: potassium4- [(E)- morpholin- 4- yldiazenyl]benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/N=N/N1CCOCC1.[K+]

STK011906
Synonyms: methyl5- [(benzylsulfanyl)methyl]furan- 2- carboxylate
Smiles: COC(=O)c1ccc(o1)CSCc1ccccc1

STK011923
Synonyms: (2Z)- 3- {3- chloro- 5- methoxy- 4- [2- (2- methoxyphenoxy)ethoxy]phenyl}- 2- (3,4- dimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCCOc1ccccc1OC)/c1ccc(c(c1)OC)OC

STK011928
Synonyms: (6E)- 2- benzyl- 5- imino- 6- {3- methoxy- 4- [2- (4- methoxyphenoxy)ethoxy]benzylidene}- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccc(cc1)OC)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)Cc1ccccc1

STK011940
Synonyms: 1- (3a,8b- dihydroxy- 2- methyl- 4,8b- dihydro- 3aH- indeno[1,2- b]furan- 3- yl)ethanone
Smiles: CC(=O)C1=C(C)OC2(C1(O)Cc1c2cccc1)O

STK011947
Synonyms: 3- butoxy- 2- [(4,6- dimethylpyrimidin- 2- yl)oxy]- 3- phenyl- 3- [4- (trifluoromethyl)phenyl]propanoicacid
Smiles: CCCCOC(C(C(=O)O)Oc1nc(C)cc(n1)C)(c1ccc(cc1)C(F)(F)F)c1ccccc1

STK011950
Synonyms: 2- chloro- 5- {[(thiophen- 2- ylcarbonyl)carbamothioyl]amino}benzoicacid
Smiles: S=C(NC(=O)c1cccs1)Nc1ccc(c(c1)C(=O)O)Cl

STK011958
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- chloro- 3- methylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(c(c1)C)Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK011961
Synonyms: 7- benzyl- 2- sulfanyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Sc1nc2sc3c(c2c(=O)[nH]1)CCN(C3)Cc1ccccc1

STK011979
Synonyms: 2- [hydroxy(piperidin- 1- ylmethyl)phosphoryl]- 3- phenylpropanoicacid
Smiles: OC(=O)C(P(=O)(CN1CCCCC1)O)Cc1ccccc1

STK011985
Synonyms: 4- ethoxy- N- [(2E)- pyrrolidin- 2- ylidene]aniline
Smiles: CCOc1ccc(cc1)/N=C/1\CCCN1

STK011990
Synonyms: N- [4- (3,6- dioxo- 3,6- dihydropyridazin- 1(2H)- yl)- 6- methylpyrimidin- 2- yl]- 4- methylbenzenesulfonamide
Smiles: Cc1nc(nc(c1)n1[nH]c(=O)ccc1=O)NS(=O)(=O)c1ccc(cc1)C

STK012009
Synonyms: 3- phenylpyrrolidin- 3- ol
Smiles: OC1(CNCC1)c1ccccc1

STK012019
Synonyms: ethyl(2E)- 2- cyano- 3- {1- [2- (3,5- dimethylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}prop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1cc(C)cc(c1)C)/C#N

STK012026
Synonyms: 4- methyl- N- [2- (methylsulfanyl)pyrimidin- 5- yl]benzenesulfonamide
Smiles: CSc1ncc(cn1)NS(=O)(=O)c1ccc(cc1)C

STK012058
Synonyms: 1- [(4- bromonaphthalen- 1- yl)sulfonyl]- 4- methyl- 1H- imidazole
Smiles: Cc1ncn(c1)S(=O)(=O)c1ccc(c2c1cccc2)Br

STK012059
Synonyms: 1- methylpiperidin- 3- yl(4- chlorophenoxy)acetate
Smiles: CN1CCCC(C1)OC(=O)COc1ccc(cc1)Cl

STK012069
Synonyms: 1- (3,4- dimethoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1ccc(c(c1)OC)OC)C

STK012070
Synonyms: (3E)- N- (3,5- dimethylphenyl)- 3- {2- [(3- methoxyphenoxy)acetyl]hydrazinylidene}butanamide
Smiles: COc1cccc(c1)OCC(=O)N/N=C(/CC(=O)Nc1cc(C)cc(c1)C)\C

STK012116
Synonyms: 4- [(Z)- (5- imino- 7- oxo- 2- propyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene)methyl]- 2- iodo- 6- methoxyphenyl4- methylbenzenesulfonate
Smiles: CCCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OS(=O)(=O)c3ccc(cc3)C)/C(=N)n2n1

STK012135
Synonyms: 2- (2- bromo- 4- nitrophenoxy)- N'- [(1E)- 1- (4- nitrothiophen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C(/c1scc(c1)[N+](=O)[O-])\C

STK012168
Synonyms: {4- [(3,5- dichloropyridin- 2- yl)oxy]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)Oc1ncc(cc1Cl)Cl

STK012188
Synonyms: 4- tert- butyl- N- {4- [5- (3- chlorophenyl)- 1,2,4- oxadiazol- 3- yl]phenyl}benzamide
Smiles: Clc1cccc(c1)c1onc(n1)c1ccc(cc1)NC(=O)c1ccc(cc1)C(C)(C)C

STK012196
Synonyms: N- [(E)- 1H- indol- 2- ylmethylidene]- 2,2,6,6- tetramethylpiperidin- 4- amine
Smiles: CC1(C)CC(/N=C/c2cc3c([nH]2)cccc3)CC(N1)(C)C

STK012208
Synonyms: (5Z)- 1- (4- bromophenyl)- 5- (4- {2- [(4- methylphenyl)sulfanyl]ethoxy}benzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)SCCOc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br

STK012215
Synonyms: (3E)- N- [2- (morpholin- 4- yl)ethyl]- 3- [2- (3- phenylpropanoyl)hydrazinylidene]butanamide
Smiles: O=C(C/C(=N/NC(=O)CCc1ccccc1)/C)NCCN1CCOCC1

STK012222
Synonyms: 17- (4- chloro- 2,5- dimethoxyphenyl)- 16,18- dioxo- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaene- 1- carboxylicacid(non- preferredname)
Smiles: COc1cc(Cl)c(cc1N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(C2c2c1cccc2)cccc3)OC

STK012223
Synonyms: [3- amino- 4- (furan- 2- yl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinolin- 2- yl](4- bromophenyl)methanone
Smiles: Brc1ccc(cc1)C(=O)c1sc2c(c1N)c(c1ccco1)c1c(n2)CCCC1

STK012229
Synonyms: ethyl(2E)- 3- {1- [2- (4- chloro- 3- methylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(c(c1)C)Cl)/C#N

STK012236
Synonyms: 1- (4- bromophenyl)- 2- [(5- {[2- (4- methylphenyl)- 2- oxoethyl]sulfanyl}- 1,3,4- thiadiazol- 2- yl)sulfanyl]ethanone
Smiles: Cc1ccc(cc1)C(=O)CSc1nnc(s1)SCC(=O)c1ccc(cc1)Br

STK012256
Synonyms: 4- butoxy- N- (1,3- thiazol- 2- ylcarbamothioyl)benzamide
Smiles: CCCCOc1ccc(cc1)C(=O)NC(=S)Nc1nccs1

STK012259
Synonyms: 5- methyl- 3- (4- methylpiperazin- 1- yl)- 5H- pyridazino[3,4- b][1,4]benzoxazine
Smiles: CN1CCN(CC1)c1nnc2c(c1)N(C)c1c(O2)cccc1

STK012269
Synonyms: N- tert- butyl- 1- (cyclohexylmethyl)piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)CC1CCCCC1)NC(C)(C)C

STK012282
Synonyms: methyl{4- bromo- 2- [(E)- (3- methyl- 2,4- dioxo- 1,3- thiazolidin- 5- ylidene)methyl]phenoxy}acetate
Smiles: COC(=O)COc1ccc(cc1/C=C\1/SC(=O)N(C1=O)C)Br

STK012293
Synonyms: N- [(4- {[(E)- naphthalen- 2- ylmethylidene]amino}phenyl)sulfonyl]acetamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc2c(c1)cccc2

STK012326
Synonyms: (2E)- N- (3- cyano- 4,5,6,7- tetrahydro- 1- benzothiophen- 2- yl)- 3- (4- nitrophenyl)prop- 2- enamide
Smiles: N#Cc1c(NC(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2

STK012337
Synonyms: 4- amino- 2- [4- (diethylamino)phenyl]- 5H- chromeno[4,3- d]pyrimidin- 5- one
Smiles: CCN(c1ccc(cc1)c1nc(N)c2c(n1)c1ccccc1oc2=O)CC

STK012340
Synonyms: (3Z)- 3- {[4- chloro- 2- (phenylcarbonyl)phenyl]imino}- 5- nitro- 1,3- dihydro- 2H- indol- 2- one
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)/N=C/1\C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK012341
Synonyms: (4E)- 5- methyl- 4- (5- methyl- 2- {2- [2- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 2- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)C

STK012355
Synonyms: 3- (benzylsulfanyl)- 2- [(4,6- dimethylpyrimidin- 2- yl)oxy]- 3,3- bis(4- fluorophenyl)propanoicacid
Smiles: OC(=O)C(C(c1ccc(cc1)F)(c1ccc(cc1)F)SCc1ccccc1)Oc1nc(C)cc(n1)C

STK012370
Synonyms: 3- {[(E)- (2- methyl- 1H- indol- 3- yl)methylidene]amino}benzamide
Smiles: NC(=O)c1cccc(c1)/N=C/c1c(C)[nH]c2c1cccc2

STK012380
Synonyms: [(5E)- 5- {[5- (2,6- dichlorophenyl)furan- 2- yl]methylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2ccc(o2)c2c(Cl)cccc2Cl)/C1=O

STK012389
Synonyms: [2- (4- chlorophenyl)- 5- oxocyclopent- 1- en- 1- yl]aceticacid
Smiles: OC(=O)CC1=C(CCC1=O)c1ccc(cc1)Cl

STK012421
Synonyms: 1- [(N- acetylglycyl)amino]- N- phenylcyclohexanecarboxamide
Smiles: O=C(C1(CCCCC1)NC(=O)CNC(=O)C)Nc1ccccc1

STK012427
Synonyms: 1- [(4- ethoxynaphthalen- 1- yl)sulfonyl]- 1H- benzotriazole
Smiles: CCOc1ccc(c2c1cccc2)S(=O)(=O)n1nnc2c1cccc2

STK012429
Synonyms: 1,4- bis(2,4- dinitrophenyl)- 2- methylpiperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(C(C1)C)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

STK012455
Synonyms: 1- (diphenylmethyl)- 4- (4- fluorobenzyl)piperazine
Smiles: Fc1ccc(cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

STK012465
Synonyms: 3- [(6- ethoxy- 4- methylquinazolin- 2- yl)amino]- 5- methyl- 1H- 2,4- benzodiazepin- 1- one
Smiles: CCOc1ccc2c(c1)c(C)nc(n2)Nc1nc(=O)c2c(c(n1)C)cccc2

STK012519
Synonyms: 4- ethyl- 2- (4- methoxyphenyl)- 4H- 3,1- benzoxazine
Smiles: CCC1OC(=Nc2c1cccc2)c1ccc(cc1)OC

STK012527
Synonyms: (2E)- N- (3- chloro- 4- methylphenyl)- 2- cyano- 3- (4- hydroxy- 3- methoxyphenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(c(c1)OC)O)/C(=O)Nc1ccc(c(c1)Cl)C

STK012529
Synonyms: N- (4- methylbenzyl)- 1- [3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanoyl]piperidine- 4- carboxamide
Smiles: O=C(C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1)NCc1ccc(cc1)C

STK012538
Synonyms: 4- ({1- [4- (benzyloxy)phenyl]- 3- methoxy- 3- oxopropyl}amino)- 4- oxobutanoicacid
Smiles: COC(=O)CC(c1ccc(cc1)OCc1ccccc1)NC(=O)CCC(=O)O

STK012553
Synonyms: N- [(E)- (2- chloro- 5- nitrophenyl)methylidene]- 4H- 1,2,4- triazol- 4- amine
Smiles: Clc1ccc(cc1/C=N/n1cnnc1)[N+](=O)[O-]

STK012569
Synonyms: 3- [2- (cyclohexylamino)- 4- (4- methoxyphenyl)- 1,3- thiazol- 5- yl]propanoicacid
Smiles: COc1ccc(cc1)c1nc(sc1CCC(=O)O)NC1CCCCC1

STK012624
Synonyms: 3- (trifluoromethyl)- N- (3,4,5- trimethoxyphenyl)benzamide
Smiles: COc1cc(NC(=O)c2cccc(c2)C(F)(F)F)cc(c1OC)OC

STK012664
Synonyms: 4- [({4- [(7- methyloctyl)oxy]phenyl}carbonyl)amino]butanoate
Smiles: CC(CCCCCCOc1ccc(cc1)C(=O)NCCCC(=O)[O-])C

STK012695
Synonyms: (1- {2- [4- (6- bromo- 4- phenylquinazolin- 2- yl)piperazin- 1- yl]- 2- oxoethyl}cyclopentyl)aceticacid
Smiles: OC(=O)CC1(CCCC1)CC(=O)N1CCN(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)Br

STK012710
Synonyms: 5- {5- bromo- 2- [2- (3- ethyl- 5- methylphenoxy)ethoxy]benzylidene}- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCc1cc(OCCOc2ccc(cc2C=C2C(=O)N(C)C(=O)N(C2=O)C)Br)cc(c1)C

STK012754
Synonyms: 1,1'- {5- [(3- nitrophenyl)carbonyl]- 1,3,7- triazabicyclo[3.3.1]nonane- 3,7- diyl}diethanone
Smiles: CC(=O)N1CN2CN(CC(C1)(C2)C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)C

STK012774
Synonyms: (2E)- N- (2- {[2- oxo- 2- (piperidin- 1- yl)ethyl]sulfanyl}- 1,3- benzothiazol- 6- yl)- 3- phenylprop- 2- enamide
Smiles: O=C(Nc1ccc2c(c1)sc(n2)SCC(=O)N1CCCCC1)/C=C/c1ccccc1

STK012778
Synonyms: 2- chloro- 4- nitro- N- {2- [(4- phenyl- 1,2,5- oxadiazol- 3- yl)oxy]ethyl}aniline
Smiles: Clc1cc(ccc1NCCOc1nonc1c1ccccc1)[N+](=O)[O-]

STK012794
Synonyms: (5Z)- 5- {3- bromo- 4- [2- (3,4- dimethylphenoxy)ethoxy]- 5- methoxybenzylidene}- 1- (3- methylphenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1OCCOc1ccc(c(c1)C)C)Br

STK012820
Synonyms: 2- (4- bromophenyl)- 2- oxoethyl({2- [(4- butoxyphenyl)amino]- 2- oxoethyl}sulfanyl)acetate
Smiles: CCCCOc1ccc(cc1)NC(=O)CSCC(=O)OCC(=O)c1ccc(cc1)Br

STK012849
Synonyms: 7- {4- [(3,5- dimethoxyphenyl)carbonyl]piperazin- 1- yl}- 1- ethyl- 6- fluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylicacid
Smiles: COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O

STK012857
Synonyms: 5- bromo- N- cyclopropylpyridine- 3- carboxamide
Smiles: Brc1cncc(c1)C(=O)NC1CC1

STK012858
Synonyms: 4- [2- (oxiran- 2- yl)ethoxy]phenyl4- [2- (oxiran- 2- yl)ethoxy]benzoate
Smiles: O=C(c1ccc(cc1)OCCC1CO1)Oc1ccc(cc1)OCCC1CO1

STK012887
Synonyms: 2- (1,3- benzoxazol- 2- ylsulfanyl)- N'- [(E)- (6- chloro- 1,3- benzodioxol- 5- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(o1)cccc2)N/N=C/c1cc2OCOc2cc1Cl

STK012890
Synonyms: N- (4- chloro- 2,5- dimethoxyphenyl)- 2- [(2Z)- 2- (cyclohexylimino)- 4- oxo- 1,3- thiazolidin- 5- yl]acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CC1S/C(=N\C2CCCCC2)/NC1=O)OC

STK012916
Synonyms: 2- (2,4- dichlorophenoxy)- N'- [(1E)- 1- (1- hydroxynaphthalen- 2- yl)ethylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Cl)Cl)N/N=C(/c1ccc2c(c1O)cccc2)\C

STK012943
Synonyms: N- benzyl- 3- bromo- N- tert- butylbenzamide
Smiles: Brc1cccc(c1)C(=O)N(C(C)(C)C)Cc1ccccc1

STK012954
Synonyms: 5,5- diethyl- 2- [(3- methoxyphenyl)imino]dihydropyrimidine- 4,6(1H,5H)- dione
Smiles: CCC1(CC)C(=O)NC(=Nc2cccc(c2)OC)NC1=O

STK012963
Synonyms: N- (6- chloro- 1,3- benzothiazol- 2- yl)- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc2c(c1)sc(n2)NC(=O)c1cc2ccccc2oc1=O

STK012966
Synonyms: (5Z)- 5- {3- chloro- 5- ethoxy- 4- [3- (4- methylphenoxy)propoxy]benzylidene}- 1- (4- chlorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCCOc1ccc(cc1)C)Cl

STK012973
Synonyms: 2- {[(2- bromophenyl)carbonyl]amino}- N- (naphthalen- 1- yl)- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carboxamide
Smiles: O=C(c1c(sc2c1CCCC2)NC(=O)c1ccccc1Br)Nc1cccc2c1cccc2

STK012994
Synonyms: 2,2'- (1,5- dimethyl- 9- oxo- 3,7- diazabicyclo[3.3.1]nonane- 3,7- diyl)diaceticacid
Smiles: OC(=O)CN1CC2(C)CN(CC(C1)(C2=O)C)CC(=O)O

STK013023
Synonyms: 1- (3- chlorophenyl)- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCNC2c1cccc(c1)Cl

STK013032
Synonyms: N,N'- bis[(E)- (2- methylphenyl)methylidene]- 2- nitrobenzene- 1,4- diamine
Smiles: [O-][N+](=O)c1cc(/N=C/c2ccccc2C)ccc1/N=C/c1ccccc1C

STK013042
Synonyms: (4E)- 4- [2- (4- methoxy- 2- nitrophenyl)hydrazinylidene]- 2- (4- nitrophenyl)- 5- phenyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/N=C\1/C(=O)N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK013062
Synonyms: 1- (4- fluorophenyl)- 3- {4- [(4- methylpiperazin- 1- yl)carbonyl]piperidin- 1- yl}- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK013073
Synonyms: ethyl5- {[(3- bromo- 4- methoxyphenyl)carbonyl]amino}- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1ccc(c(c1)Br)OC

STK013080
Synonyms: 2- phenyl- 3- (thiophen- 3- yl)propanoicacid
Smiles: OC(=O)C(c1ccccc1)Cc1cscc1

STK013090
Synonyms: 2- methyl- 3- nitro- N- [(E)- 1H- pyrrol- 2- ylmethylidene]aniline
Smiles: [O-][N+](=O)c1cccc(c1C)/N=C/c1ccc[nH]1

STK013091
Synonyms: N'- [(E)- {4- [3- (4- tert- butylphenoxy)propoxy]phenyl}methylidene]acetohydrazide
Smiles: CC(=O)N/N=C/c1ccc(cc1)OCCCOc1ccc(cc1)C(C)(C)C

STK013111
Synonyms: 4- chloro- 3- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 2- methylquinoline- 6- carboxylicacid
Smiles: C/C(=C/Cc1c(C)nc2c(c1Cl)cc(cc2)C(=O)O)/Cl

STK013124
Synonyms: N'- [(E)- {1- [2- (4- tert- butylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene]- 2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nnc(s1)C)N/N=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C(C)(C)C

STK013148
Synonyms: 5- amino- 3- (4- bromophenyl)- 1- phenyl- 1H- pyrazol- 4- ylthiocyanate
Smiles: N#CSc1c(nn(c1N)c1ccccc1)c1ccc(cc1)Br

STK013150
Synonyms: 3- {[(E)- 1H- indol- 3- ylmethylidene]amino}- 2- [(naphthalen- 1- yloxy)methyl]quinazolin- 4(3H)- one
Smiles: O=c1n(/N=C/c2c[nH]c3c2cccc3)c(COc2cccc3c2cccc3)nc2c1cccc2

STK013167
Synonyms: 2- chloro- 5- {[(phenylacetyl)carbamothioyl]amino}benzoicacid
Smiles: O=C(Cc1ccccc1)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK013191
Synonyms: 3- fluoro- N- [1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- [2- (4- methoxyphenyl)ethyl]benzamide
Smiles: COc1ccc(cc1)CCN(C(=O)c1cccc(c1)F)C1CC(=O)N(C1=O)c1ccc(cc1)F

STK013202
Synonyms: 2- [(2E)- 2- (3- fluorobenzylidene)hydrazinyl]pyridine- 3- carboxylicacid
Smiles: Fc1cccc(c1)/C=N/Nc1ncccc1C(=O)O

STK013204
Synonyms: 1- (biphenyl- 4- yl)- 2- [1,1- dioxido- 3- (phenylcarbonyl)- 4- (piperidin- 1- yl)- 2H- 1,2- benzothiazin- 2- yl]ethanone
Smiles: O=C(c1ccc(cc1)c1ccccc1)CN1C(=C(N2CCCCC2)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK013206
Synonyms: N'- [(E)- {5- [(E)- (3- chloro- 4- methylphenyl)diazenyl]- 2- hydroxyphenyl}methylidene]- 3- methyl- 1H- pyrazole- 5- carbohydrazide
Smiles: Cc1n[nH]c(c1)C(=O)N/N=C/c1cc(/N=N/c2ccc(c(c2)Cl)C)ccc1O

STK013209
Synonyms: (2Z)- 2- [2- (4- bromophenyl)hydrazinylidene]- 6- methyl- N- (pyridin- 4- yl)- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc2c(c1)cc(/c(=N/Nc1ccc(cc1)Br)/o2)C(=O)Nc1ccncc1

STK013226
Synonyms: 7- (4- bromophenyl)- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: Brc1ccc(cc1)C1C2=C(Nc3n1ncn3)c1c(OC2)cccc1

STK013248
Synonyms: (2E)- 3- [5- (2- nitrophenyl)furan- 2- yl]- N- [4- (propanoylamino)phenyl]prop- 2- enamide
Smiles: CCC(=O)Nc1ccc(cc1)NC(=O)/C=C/c1ccc(o1)c1ccccc1[N+](=O)[O-]

STK013260
Synonyms: (4Z)- 4- [2- (3- acetylphenyl)hydrazinylidene]- 2- [4- (4- butylphenyl)- 1,3- thiazol- 2- yl]- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc(c2)C(=O)C)/C1=O)C

STK013283
Synonyms: 4- methyl- N- {2- [(E)- ({2- [(trimethylsilyl)oxy]ethyl}imino)methyl]phenyl}benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1/C=N/CCO[Si](C)(C)C

STK013306
Synonyms: 2- (diethylamino)- 1- [4- (propan- 2- yl)phenyl]ethanonehydrochloride
Smiles: CCN(CC(=O)c1ccc(cc1)C(C)C)CC.Cl

STK013315
Synonyms: 2- (2- bromo- 4- chlorophenoxy)- N'- [(E)- (5- chloro- 2- hydroxy- 3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)Cl)N/N=C/c1cc(Cl)cc(c1O)[N+](=O)[O-]

STK013332
Synonyms: 1- [2- (2- methyl- 5- oxo- 4- propyltetrahydrofuran- 2- yl)- 2- oxoethyl]tetrahydropyridazine- 3,6- dione(non- preferredname)
Smiles: CC1(CC(C(=O)O1)CCC)C(=O)CN1NC(=O)CCC1=O

STK013356
Synonyms: (5Z)- 5- {2- [3- (4- tert- butylphenoxy)propoxy]- 5- chlorobenzylidene}- 3- ethyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN1C(=S)S/C(=C\c2cc(Cl)ccc2OCCCOc2ccc(cc2)C(C)(C)C)/C1=O

STK013357
Synonyms: 2,6- dichloro- N- [4- (1,3- thiazol- 2- ylsulfamoyl)phenyl]benzamide
Smiles: O=C(c1c(Cl)cccc1Cl)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK013393
Synonyms: (2E)- 3- (5- bromo- 2- methoxyphenyl)- N- phenylprop- 2- enamide
Smiles: COc1ccc(cc1/C=C/C(=O)Nc1ccccc1)Br

STK013400
Synonyms: 1- {(5- chlorothiophen- 2- yl)[1- (2,6- dimethylphenyl)- 1H- tetrazol- 5- yl]methyl}piperidine
Smiles: Clc1ccc(s1)C(c1nnnn1c1c(C)cccc1C)N1CCCCC1

STK013406
Synonyms: 9,9- dimethyl- 12- [(E)- 2- (2- nitrophenyl)ethenyl]- 8,9,10,12- tetrahydrobenzo[a]acridin- 11(7H)- one
Smiles: O=C1CC(C)(C)CC2=C1C(/C=C/c1ccccc1[N+](=O)[O-])c1c(N2)ccc2c1cccc2

STK013411
Synonyms: 5- (5- bromo- 2- hydroxybenzylidene)- 1,3- diphenyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: Brc1ccc(c(c1)/C=C/1\C(=O)N(c2ccccc2)C(=S)N(C1=O)c1ccccc1)O

STK013420
Synonyms: {4- [(2,4- dimethylphenyl)amino]- 2,6,8- trimethyl- 3,4- dihydroquinolin- 1(2H)- yl}(phenyl)methanone
Smiles: Cc1cc(C)c2c(c1)C(CC(N2C(=O)c1ccccc1)C)Nc1ccc(cc1C)C

STK013435
Synonyms: 1- (4- tert- butyl- 2- nitrosophenyl)ethanone
Smiles: O=Nc1cc(ccc1C(=O)C)C(C)(C)C

STK013439
Synonyms: 5- (4- nitrophenoxy)furan- 2- carbaldehyde
Smiles: O=Cc1ccc(o1)Oc1ccc(cc1)[N+](=O)[O-]

STK013464
Synonyms: 2- [(2,4- dichlorophenyl)amino]propanehydrazide(non- preferredname)
Smiles: NNC(=O)C(Nc1ccc(cc1Cl)Cl)C

STK013477
Synonyms: methylN- {4- [(4- chlorophenyl)amino]- 4- oxobutanoyl}leucinate
Smiles: COC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)Cl)CC(C)C

STK013481
Synonyms: N- ({2- [(3- methyl- 1H- pyrazol- 5- yl)carbonyl]hydrazinyl}carbonothioyl)- 2- phenylacetamide
Smiles: O=C(Cc1ccccc1)NC(=S)NNC(=O)c1[nH]nc(c1)C

STK013488
Synonyms: 4- {[(E)- (2- chloro- 5- nitrophenyl)methylidene]amino}benzenesulfonamide
Smiles: Clc1ccc(cc1/C=N/c1ccc(cc1)S(=O)(=O)N)[N+](=O)[O-]

STK013521
Synonyms: 3- [(4Z)- 4- {4- [(4- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazol- 1- yl]benzoicacid
Smiles: COc1cc(ccc1OCc1ccc(cc1)Cl)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)C

STK013536
Synonyms: 3- chloro- N- [(6- methyl- 2- phenyl- 2H- benzotriazol- 5- yl)carbamothioyl]- 1- benzothiophene- 2- carboxamide
Smiles: S=C(NC(=O)c1sc2c(c1Cl)cccc2)Nc1cc2nn(nc2cc1C)c1ccccc1

STK013554
Synonyms: (5- benzyl- 3,6- dioxopiperazin- 2- yl)aceticacid
Smiles: OC(=O)CC1NC(=O)C(NC1=O)Cc1ccccc1

STK013598
Synonyms: 5- (4- heptylphenyl)- 3- [4'- (hexyloxy)biphenyl- 4- yl]- 1,2,4- oxadiazole
Smiles: CCCCCCCc1ccc(cc1)c1onc(n1)c1ccc(cc1)c1ccc(cc1)OCCCCCC

STK013637
Synonyms: 1- [5- (2- ethoxyethyl)- 1,3,4- thiadiazol- 2- yl]- 3- phenylurea
Smiles: CCOCCc1nnc(s1)NC(=O)Nc1ccccc1

STK013648
Synonyms: 1- [1,3- bis(4- methylphenyl)imidazolidin- 2- yl]naphthalen- 2- ol
Smiles: Cc1ccc(cc1)N1CCN(C1c1c(O)ccc2c1cccc2)c1ccc(cc1)C

STK013651
Synonyms: 2- (2- oxopropoxy)- 5- (2,6,8- trioxo- 1,2,3,6,8,9- hexahydro- 7H- purin- 7- yl)tetrahydrofuran- 3,4- diyldiacetate
Smiles: CC(=O)OC1C(OC(=O)C)C(OC1n1c(=O)[nH]c2c1c(=O)[nH]c(=O)[nH]2)OCC(=O)C

STK013653
Synonyms: 5- (4- {2- [4- (hexyloxy)phenoxy]ethoxy}benzylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCCCCCOc1ccc(cc1)OCCOc1ccc(cc1)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK013670
Synonyms: 1- {[4- (3- methylbutyl)- 5- oxotetrahydrofuran- 2- yl]methyl}- 3- prop- 2- en- 1- ylthiourea(non- preferredname)
Smiles: C=CCNC(=S)NCC1OC(=O)C(C1)CCC(C)C

STK013717
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2- chlorophenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK013754
Synonyms: N- [2- chloro- 5- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]- 2- (2,4,5- trichlorophenoxy)acetamide
Smiles: O=C(Nc1cc(ccc1Cl)c1nc2c(o1)cccn2)COc1cc(Cl)c(cc1Cl)Cl

STK013772
Synonyms: 1- (4- methylpiperazin- 1- yl)ethanone
Smiles: CN1CCN(CC1)C(=O)C

STK013773
Synonyms: 2- chloro- 4- formyl- 6- methoxyphenylnaphthalene- 1- carboxylate
Smiles: O=Cc1cc(Cl)c(c(c1)OC)OC(=O)c1cccc2c1cccc2

STK013776
Synonyms: 2- (2- bromo- 5- fluorophenyl)- 1,3- thiazolidine- 4- carboxylicacid
Smiles: OC(=O)C1CSC(N1)c1cc(F)ccc1Br

STK013779
Synonyms: ethyl5- acetyl- 2- amino- 4- (4- hydroxy- 3- methoxyphenyl)- 6- methyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(N)OC(=C(C1c1ccc(c(c1)OC)O)C(=O)C)C

STK013789
Synonyms: 3- bromo- 4- ethoxy- N- [(3- hydroxypyridin- 2- yl)carbamothioyl]benzamide
Smiles: CCOc1ccc(cc1Br)C(=O)NC(=S)Nc1ncccc1O

STK013825
Synonyms: ethyl4- {[(2Z)- 3- (acetylcarbamoyl)- 2H- chromen- 2- ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)NC(=O)C

STK013838
Synonyms: N- (4- chlorophenyl)- 2- [(trifluoroacetyl)amino]- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCC2

STK013864
Synonyms: 8- methyl- 3- phenyl- 11- (pyridin- 3- yl)- 2,3,4,5,10,11- hexahydro- 1H- dibenzo[b,e][1,4]diazepin- 1- one
Smiles: Cc1ccc2c(c1)NC(c1cccnc1)C1=C(N2)CC(CC1=O)c1ccccc1

STK013868
Synonyms: 2- [(E)- 2- (5- bromo- 2- hydroxyphenyl)ethenyl]- 3- (pyridin- 2- yl)quinazolin- 4(3H)- one
Smiles: Brc1ccc(c(c1)/C=C/c1nc2ccccc2c(=O)n1c1ccccn1)O

STK013871
Synonyms: ethyl3- [3- bromo- 4- (dimethylamino)phenyl]- 2- cyanobicyclo[2.2.1]hept- 5- ene- 2- carboxylate
Smiles: CCOC(=O)C1(C#N)C2C=CC(C1c1ccc(c(c1)Br)N(C)C)C2

STK013874
Synonyms: 3,5- di- tert- butyl- N- (1- hydroxy- 2- methylpropan- 2- yl)benzamide
Smiles: OCC(NC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C

STK013897
Synonyms: 8- [(2E)- 2- (5- bromo- 2- hydroxybenzylidene)hydrazinyl]- 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 3- methyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC(Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

STK013902
Synonyms: N- [4- chloro- 3- (trifluoromethyl)phenyl]- 10H- phenothiazine- 10- carboxamide
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Nc1ccc(c(c1)C(F)(F)F)Cl

STK013906
Synonyms: 1- (5,7- dinitro- 2,3- dihydro- 1H- indol- 1- yl)ethanone
Smiles: CC(=O)N1CCc2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-]

STK013924
Synonyms: 5- (4- chlorophenyl)- 3- (2- methylphenyl)- 1,2,4- oxadiazole
Smiles: Clc1ccc(cc1)c1onc(n1)c1ccccc1C

STK013925
Synonyms: 2- (4- hydroxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)[nH]c2c(c1O)cccc2)NCc1cccnc1

STK013940
Synonyms: 2- {4- [1- (pyridin- 4- ylmethyl)piperidin- 4- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)C1CCN(CC1)Cc1ccncc1

STK013944
Synonyms: 7,7- dimethyl- 4- (4- methylphenyl)- 1- sulfanyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Cc1ccc(cc1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2S

STK013948
Synonyms: 4- (4- {[(4- fluorophenyl)carbonyl]amino}phenoxy)benzoicacid
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc(cc1)Oc1ccc(cc1)C(=O)O

STK013960
Synonyms: N- (3- methoxypropyl)- 1- [3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]piperidine- 4- carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK013979
Synonyms: 3- bromo- N- (4- {[(3- iodophenyl)carbonyl]amino}phenyl)benzamide
Smiles: Brc1cccc(c1)C(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1)I

STK013983
Synonyms: (6Z)- 6- {3,5- dichloro- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 2- (4- methylphenyl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccccc1OCCOc1c(Cl)cc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C

STK013987
Synonyms: N- [1- (3- chlorophenyl)- 2,3- dihydro- 1H- pyrrolo[2,3- b]quinolin- 4- yl]- 2- (pyrrolidin- 1- yl)acetamide
Smiles: Clc1cccc(c1)N1CCc2c1nc1ccccc1c2NC(=O)CN1CCCC1

STK014031
Synonyms: tert- butyl3- ethyl- 5- hydroxy- 5- (pyridin- 3- yl)- 4,5- dihydro- 1H- pyrazole- 1- carboxylate
Smiles: CCC1=NN(C(C1)(O)c1cccnc1)C(=O)OC(C)(C)C

STK014036
Synonyms: N- (4- methylphenyl)- 5- oxo- 1- [4- (propan- 2- yl)phenyl]pyrrolidine- 3- carboxamide
Smiles: O=C(C1CC(=O)N(C1)c1ccc(cc1)C(C)C)Nc1ccc(cc1)C

STK014038
Synonyms: (6Z)- 6- {3- chloro- 5- ethoxy- 4- [2- (2- 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(cc(c1OCCOc1ccccc1OC)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(C)C

STK014054
Synonyms: (3E)- N- phenyl- 3- [2- (pyridin- 4- ylcarbonyl)hydrazinylidene]butanamide
Smiles: C/C(=N\NC(=O)c1ccncc1)/CC(=O)Nc1ccccc1

STK014066
Synonyms: 1- (4- chlorophenyl)- 3- [5- (3,4- dimethylphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1ccc(cc1)Cl)Nc1nnc(s1)c1ccc(c(c1)C)C

STK014131
Synonyms: N- [(E)- 1H- indol- 3- ylmethylidene]- 4- (trifluoromethoxy)aniline
Smiles: FC(Oc1ccc(cc1)/N=C/c1c[nH]c2c1cccc2)(F)F

STK014140
Synonyms: N- {4- [(1E)- 1- (2- propanoylhydrazinylidene)ethyl]phenyl}acetamide
Smiles: CCC(=O)N/N=C(/c1ccc(cc1)NC(=O)C)\C

STK014142
Synonyms: N- (4- {[2- (phenylcarbonyl)hydrazinyl]sulfonyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccccc1

STK014147
Synonyms: N,N- dimethyl- 4- [5- (4- nitrophenyl)- 1,3- oxazolidin- 2- yl]aniline
Smiles: CN(c1ccc(cc1)C1NCC(O1)c1ccc(cc1)[N+](=O)[O-])C

STK014169
Synonyms: 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)- N'- [(E)- (1- methyl- 1H- pyrrol- 2- yl)methylidene]acetohydrazide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)N/N=C/c1cccn1C

STK014173
Synonyms: diethyl[3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 1- {[3- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)propanoyl]oxy}propylidene]propanedioate
Smiles: CCOC(=O)C(=C(OC(=O)CCN1C(=O)c2c(C1=O)cccc2)CCN1C(=O)c2c(C1=O)cccc2)C(=O)OCC

STK014182
Synonyms: (4Z)- 4- {2- [3- (hydroxymethyl)phenyl]hydrazinylidene}- 5- methyl- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: OCc1cccc(c1)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C

STK014186
Synonyms: 1- (2,3- dimethoxybenzyl)- N- (3- ethoxypropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)Cc1cccc(c1OC)OC

STK014189
Synonyms: N- [(2- chloro- 4- nitrophenyl)carbamothioyl]- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1ccc(cc1Cl)[N+](=O)[O-])COc1ccccc1

STK014195
Synonyms: 2- {2- [(2E)- 2- benzylidenehydrazinyl]- 2- oxoethoxy}- N'- [(E)- phenylmethylidene]benzohydrazide
Smiles: O=C(COc1ccccc1C(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1

STK014200
Synonyms: 4- bromo- N- (3,4- dichlorophenyl)- 1H- pyrazole- 1- carboxamide
Smiles: Brc1cnn(c1)C(=O)Nc1ccc(c(c1)Cl)Cl

STK014219
Synonyms: N- (6- hydroxy- 6- methylheptan- 2- yl)- 1- (2- phenylpropyl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)CC(c1ccccc1)C)CCCC(O)(C)C

STK014220
Synonyms: N- (4,6- dimethylpyrimidin- 2- yl)- 2- phenylacetamide
Smiles: O=C(Nc1nc(C)cc(n1)C)Cc1ccccc1

STK014242
Synonyms: tert- butyl(2E)- 2- {2- hydroxy- 5- [(E)- naphthalen- 1- yldiazenyl]benzylidene}hydrazinecarboxylate
Smiles: O=C(OC(C)(C)C)N/N=C/c1cc(ccc1O)/N=N/c1cccc2c1cccc2

STK014268
Synonyms: 2- methoxy- N- (naphthalen- 2- yl)- 2- phenylacetamide
Smiles: COC(c1ccccc1)C(=O)Nc1ccc2c(c1)cccc2

STK014282
Synonyms: ethyl3- methoxybenzoate
Smiles: CCOC(=O)c1cccc(c1)OC

STK014306
Synonyms: (2R,6R)- 1,1- dimethyl- 2,6- bis(2- methylpropyl)piperidiniumiodide
Smiles: CC(C[C@H]1CCC[C@@H]([N+]1(C)C)CC(C)C)C.[I-]

STK014397
Synonyms: 1- tert- butyl- 3- (4,6- dimethylpyrimidin- 2- yl)guanidine
Smiles: N=C(NC(C)(C)C)Nc1nc(C)cc(n1)C

STK014417
Synonyms: N- (4- phenoxyphenyl)- N'- (pyridin- 3- yl)butanediamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CCC(=O)Nc1cccnc1

STK014429
Synonyms: (3- methylpiperidin- 1- yl)[1- (naphthalen- 1- ylmethyl)piperidin- 4- yl]methanone
Smiles: CC1CCCN(C1)C(=O)C1CCN(CC1)Cc1cccc2c1cccc2

STK014435
Synonyms: ethyl1- {[1- (2,4- dimethoxybenzyl)piperidin- 4- yl]carbonyl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(cc1OC)OC

STK014436
Synonyms: N- [2- (2,4- dichlorophenyl)ethyl]- 3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: Clc1ccc(c(c1)Cl)CCNC(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK014439
Synonyms: (2E)- 2- [1- (2- oxo- 5- {[(propan- 2- yloxy)methoxy]methyl}tetrahydrofuran- 3- yl)propan- 2- ylidene]hydrazinecarboxamide(non- preferredname)
Smiles: NC(=O)N/N=C(/CC1CC(OC1=O)COCOC(C)C)\C

STK014447
Synonyms: 2- [(4,6- dioxo- 5- phenyl- 1,4,5,6- tetrahydropyrimidin- 2- yl)sulfanyl]- N- (5- ethyl- 1,3,4- thiadiazol- 2- yl)acetamide
Smiles: CCc1nnc(s1)NC(=O)CSC1=NC(=O)C(C(=O)N1)c1ccccc1

STK014467
Synonyms: 7- (4- chlorobenzyl)- 3- methyl- 8- (methylamino)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CNc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

STK014470
Synonyms: methyl4- {3- bromo- 4- [(4- nitrobenzyl)oxy]phenyl}- 2- methyl- 5- oxo- 4,5- dihydro- 1H- indeno[1,2- b]pyridine- 3- carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])C(=O)c1c2cccc1

STK014492
Synonyms: 2,4- dimethoxy- N- (pentan- 2- yl)benzamide
Smiles: CCCC(NC(=O)c1ccc(cc1OC)OC)C

STK014530
Synonyms: 2- (3,4- dihydro- 1H- isochromen- 1- yl)imidazolidine
Smiles: C1CNC(N1)C1OCCc2c1cccc2

STK014569
Synonyms: (4Z)- 4- {[(1E)- 1- (2,4- dichlorophenyl)- 4,4- dimethylpent- 1- en- 3- yl]imino}- 1- (3- hydroxyphenyl)- 5,5- dimethylimidazolidine- 2- thione
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(C(C)(C)C)/N=C/1\NC(=S)N(C1(C)C)c1cccc(c1)O

STK014570
Synonyms: 3- (4- chlorophenyl)- 5- dodecyl- 1,2,4- oxadiazole
Smiles: CCCCCCCCCCCCc1onc(n1)c1ccc(cc1)Cl

STK014587
Synonyms: 4- (acetylamino)phenyl4- methyl- 3- nitrobenzoate
Smiles: CC(=O)Nc1ccc(cc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK014597
Synonyms: {[(4E)- 4- [(4- chlorophenyl)imino]- 1- (4- methylphenyl)- 1,3- diazaspiro[4.4]non- 2- en- 2- yl]sulfanyl}aceticacid
Smiles: OC(=O)CSC1=N/C(=N/c2ccc(cc2)Cl)/C2(N1c1ccc(cc1)C)CCCC2

STK014626
Synonyms: 1- amino- 5- (4- chlorophenyl)- N- (4- fluorophenyl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: Fc1ccc(cc1)NC(=O)c1sc2c(c1N)c1CCCCc1c(n2)c1ccc(cc1)Cl

STK014643
Synonyms: 2- [(E)- 2- (2- nitrophenyl)ethenyl]- 3- phenylquinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1ccccc1

STK014686
Synonyms: 1- [3- (3- nitrophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (propan- 2- yl)piperidine- 4- carboxamide
Smiles: CC(NC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])C

STK014691
Synonyms: N- [bis(2- bromo- 4,5- dimethoxyphenyl)methyl]- 2- phenylacetamide
Smiles: COc1cc(c(cc1OC)Br)C(c1cc(OC)c(cc1Br)OC)NC(=O)Cc1ccccc1

STK014692
Synonyms: 6- (4- methylphenyl)- 5- [(4- methylpiperidin- 1- yl)methyl]imidazo[2,1- b][1,3]thiazole
Smiles: CC1CCN(CC1)Cc1c(nc2n1ccs2)c1ccc(cc1)C

STK014703
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- N- (furan- 2- ylmethyl)- 3- oxo- 3- phenylpropanamide
Smiles: O=C(C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1)NCc1ccco1

STK014712
Synonyms: N- methylpyridine- 4- carboxamide- 2,4- dichloro- 6- (iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1ccncc1.N=Cc1cc(Cl)cc(c1O)Cl

STK014728
Synonyms: (6E)- 6- [4- (diethylamino)benzylidene]- 2- ethyl- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1sc2=NC(=O)/C(=C/c3ccc(cc3)N(CC)CC)/C(=N)n2n1

STK014732
Synonyms: methyl3- [4- (benzyloxy)phenyl]- 3- [(3- oxo- 2- propyl- 2,3- dihydro- 1H- isoindol- 1- yl)amino]propanoate
Smiles: CCCN1C(=O)c2c(C1NC(c1ccc(cc1)OCc1ccccc1)CC(=O)OC)cccc2

STK014747
Synonyms: (5Z)- 5- (3- bromo- 5- ethoxy- 4- hydroxybenzylidene)- 3- ethyl- 1,3- thiazolidine- 2,4- dione
Smiles: CCOc1cc(/C=C/2\SC(=O)N(C2=O)CC)cc(c1O)Br

STK014749
Synonyms: (2Z)- 3- {2- methyl- 1- [2- (4- methylphenoxy)ethyl]- 1H- indol- 3- yl}- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)C)/c1ccc(cc1)[N+](=O)[O-]

STK014763
Synonyms: N- (2,3- dimethylcyclohexyl)- N'- (prop- 2- en- 1- yl)butanediamide
Smiles: CC1C(CCCC1C)NC(=O)CCC(=O)NCC=C

STK014767
Synonyms: sodium4- [(1E)- 3- (1,3- benzothiazol- 2- yl)triaz- 1- en- 1- yl]benzenesulfonate
Smiles: [O-]S(=O)(=O)c1ccc(cc1)/N=N/Nc1nc2c(s1)cccc2.[Na+]

STK014772
Synonyms: 2- [4- (tert- butylamino)- 1,1- dioxido- 3- (phenylcarbonyl)- 2H- 1,2- benzothiazin- 2- yl]- 1- phenylethanone
Smiles: O=C(c1ccccc1)CN1C(=C(NC(C)(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK014775
Synonyms: 1- (4- fluorobenzyl)- 4- methylpiperidine
Smiles: CC1CCN(CC1)Cc1ccc(cc1)F

STK014779
Synonyms: N- [4- ({2- [(4- chlorophenyl)sulfonyl]hydrazinyl}carbonyl)phenyl]- 2- methylbenzamide
Smiles: Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc(cc1)NC(=O)c1ccccc1C

STK014780
Synonyms: (2E)- 1- (4- chlorophenyl)- 3- (5- methoxy- 1H- indol- 3- yl)prop- 2- en- 1- one
Smiles: COc1ccc2c(c1)c(/C=C/C(=O)c1ccc(cc1)Cl)c[nH]2

STK014791
Synonyms: N- [2- (4- methoxyphenyl)- 1,3- benzoxazol- 5- yl]- 2- methylpropanamide
Smiles: COc1ccc(cc1)c1nc2c(o1)ccc(c2)NC(=O)C(C)C

STK014815
Synonyms: 5- chloro- N- {5- chloro- 2- [5- methyl- 2- (propan- 2- yl)phenoxy]phenyl}- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)NC(=O)c1cc(Cl)ccc1O)Oc1cc(C)ccc1C(C)C

STK014839
Synonyms: N- {(2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 8- methoxy- 2H- chromen- 2- ylidene}pyridin- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cccc(c2o/c/1=N\c1ccccn1)OC

STK014840
Synonyms: 4- (1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 2H- 4,7- ethanoisoindol- 2- yl)benzenesulfonamide
Smiles: O=C1C2C3CCC(C2C(=O)N1c1ccc(cc1)S(=O)(=O)N)C=C3

STK014863
Synonyms: 2- methyl- 3- phenyl- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3

STK014876
Synonyms: N- (4- methoxyphenyl)- 2H- 1,4- benzoxazin- 3- amine
Smiles: COc1ccc(cc1)NC1=Nc2c(OC1)cccc2

STK014892
Synonyms: (2E)- N- [5- ({2- [(4- methylbenzyl)amino]- 2- oxoethyl}sulfanyl)- 1,3,4- thiadiazol- 2- yl]- 3- phenylprop- 2- enamide
Smiles: O=C(NCc1ccc(cc1)C)CSc1nnc(s1)NC(=O)/C=C/c1ccccc1

STK014908
Synonyms: (4Z)- 4- [2- (4- fluorophenyl)hydrazinylidene]- 3- (4- nitrophenyl)- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Fc1ccc(cc1)N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]

STK014915
Synonyms: methyl4- (4- hydroxy- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK014926
Synonyms: 4- butylbenzamide
Smiles: CCCCc1ccc(cc1)C(=O)N

STK014939
Synonyms: 5- {(2E)- 2- [4- (benzyloxy)benzylidene]hydrazinyl}- N- (4- bromophenyl)- 5- oxopentanamide
Smiles: O=C(N/N=C/c1ccc(cc1)OCc1ccccc1)CCCC(=O)Nc1ccc(cc1)Br

STK014958
Synonyms: 2- (4- cyclohexylphenoxy)- N- (tricyclo[3.3.1.1~3,7~]dec- 2- ylcarbamothioyl)acetamide
Smiles: O=C(NC(=S)NC1C2CC3CC1CC(C2)C3)COc1ccc(cc1)C1CCCCC1

STK014967
Synonyms: 1H- benzimidazol- 1- yl(phenyl)methanone
Smiles: O=C(n1cnc2c1cccc2)c1ccccc1

STK014968
Synonyms: 2- acetyl- 4- methyl- N- (4- methylphenyl)pentanamide
Smiles: CC(CC(C(=O)Nc1ccc(cc1)C)C(=O)C)C

STK014981
Synonyms: [4- (2- ethoxyphenyl)piperazin- 1- yl][1- (4- ethylbenzyl)piperidin- 4- yl]methanone
Smiles: CCOc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)Cc1ccc(cc1)CC

STK015024
Synonyms: (2Z)- 2- cyano- 3- (2,3- dichlorophenyl)prop- 2- enethioamide
Smiles: NC(=S)/C(=C\c1cccc(c1Cl)Cl)/C#N

STK015031
Synonyms: 2'- phenylspiro[1,3- dithiolane- 2,1'- inden]- 3'(2'H)- one
Smiles: O=C1c2ccccc2C2(C1c1ccccc1)SCCS2

STK015034
Synonyms: 4- ({[(5- bromonaphthalen- 1- yl)carbonyl]carbamothioyl}amino)- 2- chlorobenzoicacid
Smiles: S=C(NC(=O)c1cccc2c1cccc2Br)Nc1ccc(c(c1)Cl)C(=O)O

STK015041
Synonyms: N,N- dicyclohexyl- 3- (1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 2H- 4,7- methanoisoindol- 2- yl)propanamide
Smiles: O=C(N(C1CCCCC1)C1CCCCC1)CCN1C(=O)C2C(C1=O)C1CC2C=C1

STK015051
Synonyms: 4- bromo- 2,1,3- benzothiadiazole
Smiles: Brc1cccc2c1nsn2

STK015065
Synonyms: 4- {(E)- [(2- methyl- 4- nitrophenyl)imino]methyl}phenol
Smiles: Oc1ccc(cc1)/C=N/c1ccc(cc1C)[N+](=O)[O-]

STK015093
Synonyms: 2- amino- N- [(E)- amino(1,3- benzothiazol- 2- ylamino)methylidene]benzamide
Smiles: N/C(=N\C(=O)c1ccccc1N)/Nc1nc2c(s1)cccc2

STK015145
Synonyms: N- [(2- hydroxyphenyl)carbamothioyl]- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1ccccc1O)COc1ccccc1

STK015162
Synonyms: 3,4- dibromo- 2- [(E)- {[3- (5,6- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]imino}methyl]- 6- ethoxyphenol
Smiles: CCOc1cc(Br)c(c(c1O)/C=N/c1cccc(c1)c1oc2c(n1)cc(c(c2)C)C)Br

STK015182
Synonyms: 2- [(4- methylpiperidin- 1- yl)methyl]phenol
Smiles: CC1CCN(CC1)Cc1ccccc1O

STK015202
Synonyms: (5Z)- 3- (4- ethoxyphenyl)- 5- (2- {2- [2- methoxy- 4- (prop- 2- en- 1- yl)phenoxy]ethoxy}benzylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: C=CCc1ccc(c(c1)OC)OCCOc1ccccc1/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)OCC

STK015208
Synonyms: 2- [1- methyl- 3- (methylsulfanyl)- 1H- indol- 2- yl]- N- (4- methylphenyl)acetamide
Smiles: CSc1c(CC(=O)Nc2ccc(cc2)C)n(c2c1cccc2)C

STK015237
Synonyms: (2E)- 3- {[4- chloro- 3- (trifluoromethyl)phenyl]amino}- 1- (4- ethylphenyl)prop- 2- en- 1- one
Smiles: CCc1ccc(cc1)C(=O)/C=C/Nc1ccc(c(c1)C(F)(F)F)Cl

STK015259
Synonyms: (2Z)- 2- [2- (4- bromophenyl)hydrazinylidene]- 6- methyl- N- (pyridin- 3- yl)- 2H- chromene- 3- carboxamide
Smiles: Cc1ccc2c(c1)cc(/c(=N/Nc1ccc(cc1)Br)/o2)C(=O)Nc1cccnc1

STK015272
Synonyms: N- (biphenyl- 4- yl)- 4- bromobenzamide
Smiles: Brc1ccc(cc1)C(=O)Nc1ccc(cc1)c1ccccc1

STK015296
Synonyms: amino[(2- ethoxy- 2- oxoethyl)sulfanyl]methaniminium
Smiles: CCOC(=O)CSC(=[NH2+])N

STK015320
Synonyms: N- (3- bromophenyl)benzenesulfonamide
Smiles: Brc1cccc(c1)NS(=O)(=O)c1ccccc1

STK015335
Synonyms: 2- (4- chlorophenyl)- N- {2- [(2Z)- 2- (1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)hydrazinyl]- 2- oxoethyl}acetamide(non- preferredname)
Smiles: CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(cc2)Cl)/c2c1cccc2

STK015356
Synonyms: 1- (2- fluorophenyl)- 3- [5- (pyridin- 4- yl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)c1ccncc1

STK015364
Synonyms: N- [4- (azepan- 1- ylsulfonyl)phenyl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK015386
Synonyms: 2- iodo- 7- nitro- 9H- fluorene
Smiles: Ic1ccc2c(c1)Cc1c2ccc(c1)[N+](=O)[O-]

STK015387
Synonyms: 5- ammonio- 8- hydroxyquinolinium
Smiles: [NH3+]c1ccc(c2c1ccc[nH+]2)O

STK015395
Synonyms: 2- [(1,3- dimethyl- 2,6- dioxo- 2,3,6,9- tetrahydro- 1H- purin- 8- yl)sulfanyl]- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK015397
Synonyms: (3- chlorophenyl)[5- (2- hydroxyphenyl)- 3- (4- methoxyphenyl)- 4,5- dihydro- 1H- pyrazol- 1- yl]methanone
Smiles: COc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)c1cccc(c1)Cl

STK015461
Synonyms: 1,3- dimethyl- 6- (1- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: CC(N1CNc2c(C1)c(=O)n(c(=O)n2C)C)c1ccccc1

STK015472
Synonyms: 1- (2,6- dimethylpiperidin- 1- yl)- 3- phenoxypropan- 2- yl4- nitrobenzoate
Smiles: CC1CCCC(N1CC(OC(=O)c1ccc(cc1)[N+](=O)[O-])COc1ccccc1)C

STK015475
Synonyms: 4- ({3- [(2- methoxyphenyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}amino)- 4- oxobutanoicacid
Smiles: COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCC2

STK015478
Synonyms: N- {[(2- methyl- 4- oxo- 3- phenoxy- 4H- chromen- 7- yl)oxy]acetyl}phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C

STK015528
Synonyms: 2- amino- N- {2- [{4- bromo- 2- [(2- chlorophenyl)carbonyl]phenyl}(methyl)amino]- 2- oxoethyl}- 2- phenylpropanamide
Smiles: Brc1ccc(c(c1)C(=O)c1ccccc1Cl)N(C(=O)CNC(=O)C(c1ccccc1)(N)C)C

STK015533
Synonyms: 4- (5- methyl- 1,3- benzothiazol- 2- yl)- N- [(E)- (5- methylfuran- 2- yl)methylidene]aniline
Smiles: Cc1ccc(o1)/C=N/c1ccc(cc1)c1sc2c(n1)cc(cc2)C

STK015561
Synonyms: 4- oxo- 4- [(2- {[(2- oxopiperidin- 3- yl)carbonyl]amino}ethyl)amino]butanoicacid
Smiles: O=C(CCC(=O)O)NCCNC(=O)C1CCCNC1=O

STK015567
Synonyms: 1H- benzimidazol- 1- yl(3,5- dinitrophenyl)methanone
Smiles: [O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)n1cnc2c1cccc2

STK015575
Synonyms: N- hexadecanoylasparticacid
Smiles: CCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CC(=O)O

STK015576
Synonyms: N'- [(E)- (6- bromo- 1,3- benzodioxol- 5- yl)methylidene]- 2- (2- bromo- 4- nitrophenoxy)acetohydrazide
Smiles: O=C(COc1ccc(cc1Br)[N+](=O)[O-])N/N=C/c1cc2OCOc2cc1Br

STK015579
Synonyms: 5- ({[(3- bromophenyl)carbonyl]carbamothioyl}amino)- 2- chlorobenzoicacid
Smiles: S=C(NC(=O)c1cccc(c1)Br)Nc1ccc(c(c1)C(=O)O)Cl

STK015580
Synonyms: methyl2,3- dimethoxy- 6- [(phenylcarbonyl)amino]benzoate
Smiles: COC(=O)c1c(ccc(c1OC)OC)NC(=O)c1ccccc1

STK015605
Synonyms: 3- (4- chlorophenyl)- 5- (4- pentylcyclohexyl)- 1,2,4- oxadiazole
Smiles: CCCCCC1CCC(CC1)c1onc(n1)c1ccc(cc1)Cl

STK015612
Synonyms: 10- [3- (4- benzylpiperazin- 1- yl)propyl]- 10H- phenothiazine
Smiles: c1ccc(cc1)CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2

STK015616
Synonyms: N- {[hydroxy(methyl)phosphoryl]methyl}- N- methylglycine
Smiles: CN(CP(=O)(O)C)CC(=O)O

STK015632
Synonyms: N- {(2Z)- 6- bromo- 3- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: Cc1ccc(cc1)c1csc(n1)c1cc2cc(Br)ccc2o/c/1=N\c1nccs1

STK015642
Synonyms: 3,3'- {naphthalene- 1,5- diylbis[nitrilo(E)methylylidene]}dibenzene- 1,2- diol
Smiles: Oc1cccc(c1O)/C=N/c1cccc2c1cccc2/N=C/c1cccc(c1O)O

STK015653
Synonyms: 5- (4- butoxyphenyl)- 3- [4'- propyl- 1,1'- bi(cyclohexyl)- 4- yl]- 1,2,4- oxadiazole
Smiles: CCCCOc1ccc(cc1)c1onc(n1)C1CCC(CC1)C1CCC(CC1)CCC

STK015665
Synonyms: (5E)- 5- [3- chloro- 5- methoxy- 4- (naphthalen- 1- ylmethoxy)benzylidene]- 3- ethyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OC)OCc2cccc3c2cccc3)/C1=O

STK015672
Synonyms: 1- butyl- N- (4- chlorobenzyl)- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCCn1c(=O)c(C(=O)NCc2ccc(cc2)Cl)c(c2c1cccc2)O

STK015674
Synonyms: 3- [(1E)- 1- (2- phenylhydrazinylidene)ethyl]- 9H- carbazole
Smiles: C/C(=N\Nc1ccccc1)/c1ccc2c(c1)c1ccccc1[nH]2

STK015681
Synonyms: 2- methyl[1,3]oxazolo[4,5- c]quinolin- 4(5H)- one
Smiles: Cc1nc2c(o1)c1ccccc1[nH]c2=O

STK015684
Synonyms: 2- [(2- fluorobenzyl)sulfanyl]- 6- (thiophen- 2- yl)imidazo[2,1- b][1,3,4]thiadiazole
Smiles: Fc1ccccc1CSc1sc2n(n1)cc(n2)c1cccs1

STK015691
Synonyms: N- {3- [(1,3- dioxo- 2- phenyl- 2,3- dihydro- 1H- isoindol- 5- yl)oxy]phenyl}- 2- (thiophen- 2- yl)acetamide
Smiles: O=C(Cc1cccs1)Nc1cccc(c1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccccc1

STK015727
Synonyms: 2- (2- carboxyphenyl)- 1,3- thiazolidine- 4- carboxylicacid
Smiles: OC(=O)C1CSC(N1)c1ccccc1C(=O)O

STK015774
Synonyms: [4- (dimethylamino)- 6- methyl- 1,3,5- triazin- 2- yl](2- phenoxyethyl)cyanamide
Smiles: N#CN(c1nc(C)nc(n1)N(C)C)CCOc1ccccc1

STK015775
Synonyms: 5- (3- chloro- 4- methylphenyl)- N- (2- methoxy- 4- nitrophenyl)furan- 2- carboxamide
Smiles: COc1cc(ccc1NC(=O)c1ccc(o1)c1ccc(c(c1)Cl)C)[N+](=O)[O-]

STK015791
Synonyms: 4- hydroxy- N- (3- methylphenyl)- 2- oxo- 1- pentyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCCCn1c(=O)c(C(=O)Nc2cccc(c2)C)c(c2c1cccc2)O

STK015855
Synonyms: N- {2- [5- (benzyloxy)- 1H- indol- 3- yl]ethyl}cyclopropanecarboxamide
Smiles: O=C(C1CC1)NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2

STK015863
Synonyms: 1- [1- (diphenylmethyl)- 1H- tetrazol- 5- yl]- N- [3- (morpholin- 4- yl)propyl]cyclohexanamine
Smiles: C1CCC(CC1)(NCCCN1CCOCC1)c1nnnn1C(c1ccccc1)c1ccccc1

STK015867
Synonyms: N- {2- [(2- methylphenoxy)methyl]- 4- oxoquinazolin- 3(4H)- yl}- 2- [5- methyl- 2- (propan- 2- yl)phenoxy]acetamide
Smiles: Cc1ccc(c(c1)OCC(=O)Nn1c(COc2ccccc2C)nc2c(c1=O)cccc2)C(C)C

STK015868
Synonyms: (6Z)- 6- {3- bromo- 4- [2- (4- cyclohexylphenoxy)ethoxy]- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK015921
Synonyms: 6- bromo- 2- phenyl- 4H- 3,1- benzoxazin- 4- one
Smiles: Brc1ccc2c(c1)c(=O)oc(n2)c1ccccc1

STK015924
Synonyms: [(4Z)- 4- {[(1E)- 1- (2,4- dichlorophenyl)- 4,4- dimethylpent- 1- en- 3- yl]imino}- 8- methyl- 2- thioxo- 1,3- diazaspiro[4.5]dec- 1- yl]acetonitrile
Smiles: N#CCN1C(=S)N/C(=N\C(C(C)(C)C)/C=C/c2ccc(cc2Cl)Cl)/C21CCC(CC2)C

STK015973
Synonyms: 3- (dimethylamino)- 1- (2- fluoro- 4- methylphenyl)propan- 1- one
Smiles: CN(CCC(=O)c1ccc(cc1F)C)C

STK015983
Synonyms: 2- amino- 4- [2- (2,2- difluoroethoxy)- 3- ethoxyphenyl]- 7- methyl- 5- oxo- 4H,5H- pyrano[4,3- b]pyran- 3- carbonitrile
Smiles: CCOc1cccc(c1OCC(F)F)C1C(=C(N)Oc2c1c(=O)oc(c2)C)C#N

STK016004
Synonyms: 1- (2- fluorophenyl)- 3- [5- (phenoxymethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)COc1ccccc1

STK016031
Synonyms: 2- chloro- N- [(E)- (4- chloro- 3- nitrophenyl)methylidene]aniline
Smiles: Clc1ccccc1/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK016040
Synonyms: 4- {[4- (2,4- dihydroxyphenyl)- 1,3- thiazol- 2- yl]amino}benzoicacid
Smiles: Oc1ccc(c(c1)O)c1csc(n1)Nc1ccc(cc1)C(=O)O

STK016053
Synonyms: N- (2- hydroxyethyl)- 2- [1- methyl- 3- (methylsulfanyl)- 1H- indol- 2- yl]acetamide
Smiles: OCCNC(=O)Cc1c(SC)c2c(n1C)cccc2

STK016062
Synonyms: (6Z)- 6- {3- bromo- 5- ethoxy- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccccc1OC)Br)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK016068
Synonyms: N- (1,3- benzothiazol- 2- yl)- 3- methylbenzamide
Smiles: Cc1cccc(c1)C(=O)Nc1nc2c(s1)cccc2

STK016069
Synonyms: 2- (4- ethylphenoxy)- N- (6- methylpyridin- 2- yl)acetamide
Smiles: CCc1ccc(cc1)OCC(=O)Nc1cccc(n1)C

STK016074
Synonyms: [(6- methylimidazo[2,1- b][1,3,4]thiadiazol- 2- yl)sulfanyl]aceticacid
Smiles: Cc1cn2c(n1)sc(n2)SCC(=O)O

STK016075
Synonyms: 4- amino- 2- (thiophen- 2- yl)- 5H- chromeno[4,3- d]pyrimidin- 5- one
Smiles: Nc1nc(nc2c1c(=O)oc1c2cccc1)c1cccs1

STK016094
Synonyms: 4- hydroxy- 2- oxo- 1- propyl- N- (2- sulfamoylphenyl)- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCn1c(=O)c(C(=O)Nc2ccccc2S(=O)(=O)N)c(c2c1cccc2)O

STK016128
Synonyms: 2- (naphthalen- 1- yl)- N- [(E)- (3- nitrophenyl)methylidene]- 1,3- benzoxazol- 5- amine
Smiles: [O-][N+](=O)c1cccc(c1)/C=N/c1ccc2c(c1)nc(o2)c1cccc2c1cccc2

STK016145
Synonyms: 2- (1,3- benzothiazol- 2- yl)- 5,5- dipropyl- 1,2,4- triazolidine- 3- thione
Smiles: CCCC1(CCC)NC(=S)N(N1)c1nc2c(s1)cccc2

STK016146
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)- N'- [(1E)- 1- (3- nitrophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1cccc(c1)[N+](=O)[O-])\C)CSc1nc2c([nH]1)cccc2

STK016148
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- {4- [(4- methylpiperidin- 1- yl)carbonyl]piperidin- 1- yl}- 3- phenylpropane- 1,3- dione
Smiles: CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK016153
Synonyms: 4- nitro- N- (2,4,6- tribromophenyl)benzenesulfonamide
Smiles: Brc1cc(Br)cc(c1NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Br

STK016166
Synonyms: (5E)- 5- {2- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C/c2ccccc2OCCOc2ccc(cc2)C2CCCCC2)/C(=O)N1C

STK016215
Synonyms: 4,4'- pyrimidine- 4,6- diylbis{N- [(E)- (2- nitrophenyl)methylidene]aniline}
Smiles: [O-][N+](=O)c1ccccc1/C=N/c1ccc(cc1)c1ncnc(c1)c1ccc(cc1)/N=C/c1ccccc1[N+](=O)[O-]

STK016264
Synonyms: 4- amino- 2- (2,4- dichlorophenyl)- 5H- chromeno[4,3- d]pyrimidin- 5- one
Smiles: Clc1ccc(c(c1)Cl)c1nc(N)c2c(n1)c1ccccc1oc2=O

STK016266
Synonyms: 4- [5- (4- fluorophenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: Fc1ccc(cc1)c1onc(n1)c1ccncc1

STK016274
Synonyms: 7- [3- (4- chlorophenoxy)- 2- hydroxypropyl]- 3- methyl- 8- (octylsulfanyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)[nH]c(=O)n2C

STK016296
Synonyms: 3,9- bis[6- methyl- 4- (4- methylpent- 3- en- 1- yl)cyclohex- 3- en- 1- yl]- 2,4,8,10- tetraoxaspiro[5.5]undecane
Smiles: CC1CC(=CCC1C1OCC2(CO1)COC(OC2)C1CC=C(CC1C)CCC=C(C)C)CCC=C(C)C

STK016303
Synonyms: 4- [(E)- (2- chlorophenyl)diazenyl]- 1- phenyl- 1H- pyrazole- 3,5- diamine
Smiles: Clc1ccccc1/N=N/c1c(N)nn(c1N)c1ccccc1

STK016360
Synonyms: 2- cyclopentyl- N- (3,4- dihydro- 1H- isochromen- 1- ylmethyl)ethanamine
Smiles: N(CC1OCCc2c1cccc2)CCC1CCCC1

STK016380
Synonyms: (2Z)- 6- bromo- N- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2- (phenylimino)- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)c1cc2cc(Br)ccc2o/c/1=N\c1ccccc1

STK016389
Synonyms: 5- [2- (4- hydroxyphenyl)ethyl]- 1,3,5- triazinane- 2- thione
Smiles: S=C1NCN(CN1)CCc1ccc(cc1)O

STK016391
Synonyms: 3- bromo- N- [2- (3- methoxyphenyl)- 1,3- benzoxazol- 5- yl]benzamide
Smiles: COc1cccc(c1)c1oc2c(n1)cc(cc2)NC(=O)c1cccc(c1)Br

STK016403
Synonyms: 4- amino- 2- {4- [(7- methyloctyl)oxy]phenyl}- 4- oxobutanoicacid
Smiles: CC(CCCCCCOc1ccc(cc1)C(C(=O)O)CC(=O)N)C

STK016419
Synonyms: 1- ethyl- 4- hydroxy- N- (3- methylphenyl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCn1c(=O)c(C(=O)Nc2cccc(c2)C)c(c2c1cccc2)O

STK016425
Synonyms: 5- [(E)- {[4- (2,3- dihydro- 1H- indol- 1- ylsulfonyl)phenyl]imino}methyl]- 2- methoxyphenol
Smiles: COc1ccc(cc1O)/C=N/c1ccc(cc1)S(=O)(=O)N1CCc2c1cccc2

STK016426
Synonyms: diethyl4- {[(4- tert- butylphenyl)carbonyl]amino}- 2- methylcyclopenta- 1,3- diene- 1,3- dicarboxylate
Smiles: CCOC(=O)C1=C(CC(=C1C)C(=O)OCC)NC(=O)c1ccc(cc1)C(C)(C)C

STK016434
Synonyms: 1,1'- octa- 1,3,5,7- tetrayne- 1,8- diylbis(4- tert- butylbenzene)
Smiles: CC(c1ccc(cc1)C#CC#CC#CC#Cc1ccc(cc1)C(C)(C)C)(C)C

STK016438
Synonyms: N- (4- chlorophenyl)- 2- [(2E)- 2- [(4- fluorophenyl)imino]- 4- oxo- 3- (prop- 2- en- 1- yl)- 1,3- thiazolidin- 5- yl]acetamide
Smiles: C=CCN1/C(=N\c2ccc(cc2)F)/SC(C1=O)CC(=O)Nc1ccc(cc1)Cl

STK016443
Synonyms: 5- phenylfuran- 2- carbohydrazide
Smiles: NNC(=O)c1ccc(o1)c1ccccc1

STK016444
Synonyms: N- [7- (phenylcarbonyl)- 2,3- dihydro- 1,4- benzodioxin- 6- yl]glycinamide
Smiles: NCC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1

STK016454
Synonyms: (5E)- 5- {5- bromo- 2- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Brc1ccc(c(c1)/C=C\1/SC(=S)N(C1=O)C)OCCOc1ccc(cc1)C1CCCCC1

STK016464
Synonyms: N- (3,5- dibromopyridin- 2- yl)cyclopropanecarboxamide
Smiles: O=C(C1CC1)Nc1ncc(cc1Br)Br

STK016470
Synonyms: N- [3- chloro- 4- (morpholin- 4- yl)phenyl]- 4- (heptyloxy)benzamide
Smiles: CCCCCCCOc1ccc(cc1)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1

STK016484
Synonyms: 1- (2,3- dimethoxybenzyl)- N- (1- methoxypropan- 2- yl)piperidine- 4- carboxamide
Smiles: COCC(NC(=O)C1CCN(CC1)Cc1cccc(c1OC)OC)C

STK016501
Synonyms: [(dimethylamino)oxy][(4- nitrophenyl)amino]methanone
Smiles: CN(OC(=O)Nc1ccc(cc1)[N+](=O)[O-])C

STK016514
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenyl- N- propylpropanamide
Smiles: CCCNC(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK016528
Synonyms: 4- {[(E)- (3,5- dichloro- 2- hydroxyphenyl)methylidene]amino}- N- (4- phenyl- 4,9- dihydro- 3H- pyrimido[4,5- b]indol- 2- yl)benzenesulfonamide
Smiles: Clc1cc(/C=N/c2ccc(cc2)S(=O)(=O)NC2=Nc3[nH]c4c(c3C(N2)c2ccccc2)cccc4)c(c(c1)Cl)O

STK016531
Synonyms: N- {2,4- dinitro- 5- [(2- {[(E)- (2- nitrophenyl)methylidene]amino}phenyl)amino]phenyl}- N'- [(E)- phenylmethylidene]benzene- 1,2- diamine
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(cc1Nc1ccccc1/N=C/c1ccccc1)Nc1ccccc1/N=C/c1ccccc1[N+](=O)[O-]

STK016532
Synonyms: potassium4- [(E)- pyrrolidin- 1- yldiazenyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)/N=N/N1CCCC1.[K+]

STK016534
Synonyms: 2- (4- bromophenyl)- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)acetohydrazide
Smiles: O=C(Cc1ccc(cc1)Br)NN=C1C(=O)NC(=O)NC1=O

STK016535
Synonyms: 7- (2- chloro- 6- fluorobenzyl)- 8- (furan- 2- ylmethoxy)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1cccc(c1Cn1c(OCc2ccco2)nc2c1c(=O)n(c(=O)n2C)C)Cl

STK016555
Synonyms: N- [(2- chlorophenyl)sulfonyl]- 3,5,5- trimethyl- 4,5- dihydro- 1H- pyrazole- 1- carboxamide
Smiles: CC1=NN(C(C1)(C)C)C(=O)NS(=O)(=O)c1ccccc1Cl

STK016562
Synonyms: 2,6- diethyl- 5- phenylpyrimidin- 4(3H)- one
Smiles: CCc1nc(CC)[nH]c(=O)c1c1ccccc1

STK016566
Synonyms: 5- bromo- 3,3- dimethyl- 9- (2- methylprop- 2- en- 1- yl)- 1,2,3,4- tetrahydro- 1,4- (epiminomethano)naphthalene
Smiles: CC(=C)CC1NC2CC(C1c1c2cccc1Br)(C)C

STK016567
Synonyms: 5- ethyl- 3- (3,4,5- trimethoxyphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(cc(c1OC)OC)c1noc(n1)CC

STK016600
Synonyms: 4- nitro- N- (7- propanoyl- 2,3- dihydro- 1,4- benzodioxin- 6- yl)benzamide
Smiles: CCC(=O)c1cc2OCCOc2cc1NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK016606
Synonyms: methyl(4- {(E)- [3- (2- ethoxy- 2- oxoethyl)- 2,4- dioxo- 1,3- thiazolidin- 5- ylidene]methyl}phenoxy)acetate
Smiles: CCOC(=O)CN1C(=O)S/C(=C/c2ccc(cc2)OCC(=O)OC)/C1=O

STK016609
Synonyms: N- (2- {(2Z)- 2- [1- (1,3- benzodioxol- 5- ylmethyl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]hydrazinyl}- 2- oxoethyl)- 3- bromobenzamide(non- preferredname)
Smiles: O=C(N/N=C\1/c2ccccc2N(C1=O)Cc1ccc2c(c1)OCO2)CNC(=O)c1cccc(c1)Br

STK016631
Synonyms: 3- (4- bromophenyl)- 5- [4- (4- propylcyclohexyl)phenyl]- 1,2,4- oxadiazole
Smiles: CCCC1CCC(CC1)c1ccc(cc1)c1onc(n1)c1ccc(cc1)Br

STK016636
Synonyms: N'- {(E)- [2- (2- bromoethoxy)phenyl]methylidene}pyridine- 4- carbohydrazide
Smiles: BrCCOc1ccccc1/C=N/NC(=O)c1ccncc1

STK016651
Synonyms: 1- methylpiperidin- 3- yl3,4- dimethoxybenzoate
Smiles: COc1cc(ccc1OC)C(=O)OC1CCCN(C1)C

STK016690
Synonyms: 3- (imidazo[2,1- b][1,3]thiazol- 6- yl)- 2- methyl- 1H- indolehydrochloride
Smiles: Cc1[nH]c2c(c1c1cn3c(n1)scc3)cccc2.Cl

STK016694
Synonyms: (2E)- 3- [4- (1H- 2lambda~4~,1,3- benzothiadiazol- 2- ylmethyl)- 3- methoxyphenyl]- 1- (4- hydroxyphenyl)prop- 2- en- 1- one
Smiles: COc1cc(/C=C/C(=O)c2ccc(cc2)O)ccc1CS1=Nc2c(N1)cccc2

STK016697
Synonyms: 4- hydroxy- 1- (3- methylbutyl)- N- (6- methylpyridin- 2- yl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CC(CCn1c(=O)c(C(=O)Nc2cccc(n2)C)c(c2c1cccc2)O)C

STK016721
Synonyms: 1- [3- (5- methylfuran- 2- yl)butyl]piperidin- 3- ol
Smiles: OC1CCCN(C1)CCC(c1ccc(o1)C)C

STK016725
Synonyms: (4- butoxyphenyl)(morpholin- 4- yl)methanone
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCOCC1

STK016749
Synonyms: N'- (2- amino- 2- oxoethyl)- N,N- diphenylbutanediamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CCC(=O)NCC(=O)N

STK016755
Synonyms: 2- {2- [(2E)- 2- (2- chlorobenzylidene)hydrazinyl]- 1,3- thiazol- 5- yl}- 3H- benzo[f]chromen- 3- one
Smiles: Clc1ccccc1/C=N/Nc1ncc(s1)c1cc2c(oc1=O)ccc1c2cccc1

STK016775
Synonyms: N- (3- ethoxypropyl)- 1- [(2E)- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)C/C=C/c1ccccc1

STK016783
Synonyms: N''- {(E)- [2- (prop- 2- en- 1- yloxy)phenyl]methylidene}carbonohydrazonicdiamide
Smiles: C=CCOc1ccccc1/C=N/N=C(N)N

STK016795
Synonyms: 1- (4- fluorophenyl)- 3- (2- methyl- 5- nitrophenyl)thiourea
Smiles: S=C(Nc1cc(ccc1C)[N+](=O)[O-])Nc1ccc(cc1)F

STK016802
Synonyms: 3- (acetylamino)phenyl4- butoxybenzoate
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1cccc(c1)NC(=O)C

STK016807
Synonyms: 6- amino- 3- ethyl- 4- (thiophen- 3- yl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cscc1)c(CC)[nH]n2

STK016816
Synonyms: N- (3- chlorophenyl)- 4- methyl- N- [(4- methyl- 3- nitrophenyl)sulfonyl]- 3- nitrobenzenesulfonamide
Smiles: Clc1cccc(c1)N(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK016823
Synonyms: 2- [5- (3- methoxyphenyl)- 1,2,4- oxadiazol- 3- yl]pyridine
Smiles: COc1cccc(c1)c1onc(n1)c1ccccn1

STK016848
Synonyms: N- (3- ethoxypropyl)- 1- (2- phenylpropyl)piperidine- 4- carboxamide
Smiles: CCOCCCNC(=O)C1CCN(CC1)CC(c1ccccc1)C

STK016849
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 1- (2- ethoxybenzyl)- N- methylpiperidine- 4- carboxamide
Smiles: CCOc1ccccc1CN1CCC(CC1)C(=O)N(CCc1ccc(c(c1)OC)OC)C

STK016872
Synonyms: 4- [(2E)- 2- {3- methyl- 1- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 5- oxo- 1,5- dihydro- 4H- pyrazol- 4- ylidene}hydrazinyl]benzoicacid
Smiles: Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccc(cc2)C(=O)O)/C1=O)C

STK016876
Synonyms: N- (2,4- dichlorophenyl)- 4- oxo- 4- [2- (trifluoroacetyl)hydrazinyl]butanamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CCC(=O)NNC(=O)C(F)(F)F

STK016908
Synonyms: 2- (4- chlorophenyl)- 1,2,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Clc1ccc(cc1)C1N=C(O)c2c(N1)sc1c2CCCC1

STK016944
Synonyms: 2- {4- amino- 6- [(E)- 2- (4- hydroxyphenyl)ethenyl]- 1,3,5- triazin- 2- yl}phenol
Smiles: Nc1nc(/C=C/c2ccc(cc2)O)nc(n1)c1ccccc1O

STK016946
Synonyms: 1- (1H- 1,2,4- triazol- 1- yl)ethylacetate
Smiles: CC(n1cncn1)OC(=O)C

STK016957
Synonyms: 2,5,7- trimethylpyrazolo[1,5- a]pyrimidine
Smiles: Cc1cc(C)n2c(n1)cc(n2)C

STK016998
Synonyms: 1- (4- butylcyclohexyl)- 4- [(E)- 2- phenylethenyl]benzene
Smiles: CCCCC1CCC(CC1)c1ccc(cc1)/C=C/c1ccccc1

STK017038
Synonyms: [(5- chloro- 1H- benzimidazol- 2- yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1nc2c([nH]1)ccc(c2)Cl

STK017054
Synonyms: 2,2,9a- trimethyl- 5- (morpholin- 4- yl)- 1,4,9,9a,10,11- hexahydro- 2H- pyrrolo[1,2- a]thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e]pyrimidine- 8,12- dione
Smiles: O=C1CCC2(N1c1c(sc3c1c1CC(C)(C)SCc1c(n3)N1CCOCC1)C(=O)N2)C

STK017062
Synonyms: 1,1'- (2Z)- but- 2- ene- 1,4- diyldipiperidinedihydrochloride
Smiles: C1CCN(CC1)C/C=C\CN1CCCCC1.Cl.Cl

STK017080
Synonyms: ethyl(2E)- 3- [1- (2- chlorobenzyl)- 2- methyl- 1H- indol- 3- yl]- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)Cc1ccccc1Cl)/C#N

STK017087
Synonyms: N- (4- chloro- 2- nitrophenyl)- 4- fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl

STK017114
Synonyms: N'- [(E)- (4- chloro- 3- nitrophenyl)methylidene]- 2- {[1- (4- methylbenzyl)- 1H- benzimidazol- 2- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nc2c(n1Cc1ccc(cc1)C)cccc2)N/N=C/c1ccc(c(c1)[N+](=O)[O-])Cl

STK017128
Synonyms: 2- methyl- 3- (propan- 2- yl)- 1H- indole
Smiles: CC(c1c(C)[nH]c2c1cccc2)C

STK017137
Synonyms: (2Z)- 4- (benzylamino)- 2,3- dimethyl- 4- oxobut- 2- enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)NCc1ccccc1

STK017149
Synonyms: 1- (prop- 2- en- 1- yloxy)octane
Smiles: CCCCCCCCOCC=C

STK017171
Synonyms: 4- {[(E)- (2- ethoxyphenyl)methylidene]amino}benzamide
Smiles: CCOc1ccccc1/C=N/c1ccc(cc1)C(=O)N

STK017174
Synonyms: (2Z)- 7- hydroxy- 2- [(4- methylphenyl)imino]- N- (4- phenyl- 1,3- thiazol- 2- yl)- 2H- chromene- 3- carboxamide
Smiles: Oc1ccc2c(c1)o/c(=N\c1ccc(cc1)C)/c(c2)C(=O)Nc1scc(n1)c1ccccc1

STK017188
Synonyms: phenyl(2E)- 2- {3- bromo- 4- [2- (4- tert- butylphenoxy)ethoxy]- 5- methoxybenzylidene}- 7- methyl- 3- oxo- 5- phenyl- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Br)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccccc1)C(=O)Oc1ccccc1)C

STK017191
Synonyms: 4- chloro- N',N'- diphenylbenzenesulfonohydrazide
Smiles: Clc1ccc(cc1)S(=O)(=O)NN(c1ccccc1)c1ccccc1

STK017227
Synonyms: 2- (4- butoxyphenyl)- 5- (4'- methoxybiphenyl- 4- yl)- 1,3,4- oxadiazole
Smiles: CCCCOc1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1ccc(cc1)OC

STK017253
Synonyms: 1- [11- (4- tert- butylphenyl)- 1- hydroxy- 3- (4- methoxyphenyl)- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]ethanone
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3ccccc3N(C2c2ccc(cc2)C(C)(C)C)C(=O)C)C1)O

STK017262
Synonyms: 2,4- dichloro- 5- [(2- methoxyphenyl)sulfamoyl]benzoicacid
Smiles: COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)c(cc1Cl)Cl

STK017278
Synonyms: N- {(4- bromophenyl)[(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]methyl}- 5- chloropyridin- 2- amine
Smiles: CCOc1ccc2c(c1)sc(n2)SC(c1ccc(cc1)Br)Nc1ccc(cn1)Cl

STK017290
Synonyms: 2- chloro- 5- ({[(2,4- dichlorophenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1ccc(cc1Cl)Cl)Nc1ccc(c(c1)C(=O)O)Cl

STK017313
Synonyms: [1- (2,4- dimethoxybenzyl)piperidin- 4- yl][4- (2- fluorophenyl)piperazin- 1- yl]methanone
Smiles: COc1cc(OC)ccc1CN1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F

STK017320
Synonyms: N- (2,3- dimethylphenyl)- 1,3- dioxo- 2- [4- (phenylcarbonyl)phenyl]- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(=O)c1ccccc1)Nc1cccc(c1C)C

STK017325
Synonyms: N,N- diethyl- N'- (2- nitrophenyl)butanediamide
Smiles: CCN(C(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])CC

STK017329
Synonyms: N- {[4- (3,4- dimethoxyphenyl)- 1,3- thiazol- 2- yl]carbamothioyl}- 2- methyl- 3- nitrobenzamide
Smiles: COc1cc(ccc1OC)c1csc(n1)NC(=S)NC(=O)c1cccc(c1C)[N+](=O)[O-]

STK017335
Synonyms: 4,10- dibromonaphtho[7,8,1,2,3- nopqr]tetraphene- 6,12- dione
Smiles: Brc1cc2c3c4c1cccc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Br

STK017344
Synonyms: 6,8- dichloro- 2,3- dihydroquinolin- 4(1H)- one
Smiles: Clc1cc(Cl)c2c(c1)C(=O)CCN2

STK017366
Synonyms: 3- (2- chloro- 6- fluorobenzyl)- 5- (2- methylphenyl)- 1,2,4- oxadiazole
Smiles: Cc1ccccc1c1onc(n1)Cc1c(F)cccc1Cl

STK017369
Synonyms: 2- {1- [(1- methyl- 1H- benzimidazol- 2- yl)amino]ethyl}phenol
Smiles: Oc1ccccc1C(Nc1nc2c(n1C)cccc2)C

STK017383
Synonyms: N- benzyl- 4- ethoxy- N- (propan- 2- yl)benzamide
Smiles: CCOc1ccc(cc1)C(=O)N(C(C)C)Cc1ccccc1

STK017386
Synonyms: 1- (2- {1- [(1E)- 1- (2,4- dichlorophenyl)- 4,4- dimethylpent- 1- en- 3- yl]- 1H- tetrazol- 5- yl}propan- 2- yl)azetidin- 2- one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(C(C)(C)C)n1nnnc1C(N1CCC1=O)(C)C

STK017390
Synonyms: 2,2,4- trimethyl- 1,2- dihydroquinolin- 6- yl4- methylbenzenesulfonate
Smiles: Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)C(=CC(N2)(C)C)C

STK017399
Synonyms: 2- {3- [(Z)- (2- amino- 3,7- dicyano- 4,6- dimethyl- 5H- cyclopenta[b]pyridin- 5- ylidene)methyl]- 1H- indol- 1- yl}- N- phenylacetamide
Smiles: N#CC1=C(C)/C(=C/c2cn(c3c2cccc3)CC(=O)Nc2ccccc2)/c2c1nc(N)c(c2C)C#N

STK017409
Synonyms: (5E)- 5- [3- bromo- 5- methoxy- 4- (prop- 2- yn- 1- yloxy)benzylidene]- 1- methyl- 2- thioxodihydropyrimidine- 4,6(1H,5H)- dione
Smiles: C#CCOc1c(Br)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)C

STK017413
Synonyms: 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl6- {[(4- methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1ccc2c(c1)oc(=O)c1c2CCC1)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK017434
Synonyms: 3,4- dichloro- N- (4- phenyl- 1,3- thiazol- 2- yl)benzamide
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Nc1scc(n1)c1ccccc1

STK017447
Synonyms: dimethyl2- {[(phenylsulfanyl)acetyl]amino}benzene- 1,4- dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=O)CSc1ccccc1)C(=O)OC

STK017481
Synonyms: (3E)- 3- {2- [(2- amino- 1,3- thiazol- 4- yl)acetyl]hydrazinylidene}- N- (4- methoxy- 2- nitrophenyl)butanamide
Smiles: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)C/C(=N/NC(=O)Cc1csc(n1)N)/C

STK017485
Synonyms: 5- methyl- 2- [4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)C1)c1scc(n1)c1ccc2c(c1)cccc2

STK017486
Synonyms: 2- [(4- cyano- 1- methyl- 5,6,7,8- tetrahydroisoquinolin- 3- yl)sulfanyl]- N,N- dimethylacetamide
Smiles: N#Cc1c(SCC(=O)N(C)C)nc(c2c1CCCC2)C

STK017491
Synonyms: (2,6- dichlorophenyl)(2- methyl- 2,3- dihydro- 1H- indol- 1- yl)methanone
Smiles: CC1Cc2c(N1C(=O)c1c(Cl)cccc1Cl)cccc2

STK017507
Synonyms: (2E)- 3- [1- (4- chlorobenzyl)- 2- methyl- 1H- indol- 3- yl]- 2- cyano- N- (furan- 2- ylmethyl)prop- 2- enamide
Smiles: N#C/C(=C\c1c(C)n(c2c1cccc2)Cc1ccc(cc1)Cl)/C(=O)NCc1ccco1

STK017516
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl2- bromobenzoate
Smiles: O=C(c1ccccc1Br)OC1CN2CCC1CC2

STK017533
Synonyms: (6Z)- 6- {[5- (3,5- dichlorophenyl)furan- 2- yl]methylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cc(Cl)cc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK017570
Synonyms: N- [3- (5,7- dimethyl- 1,3- benzoxazol- 2- yl)phenyl]- 5- (2- methyl- 4- nitrophenyl)furan- 2- carboxamide
Smiles: Cc1cc(C)c2c(c1)nc(o2)c1cccc(c1)NC(=O)c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-]

STK017576
Synonyms: (6Z)- 6- {4- [2- (4- bromophenoxy)ethoxy]- 3- chloro- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)Br)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK017593
Synonyms: methyl(2E)- 4- oxo- 4- (1,3- thiazol- 2- ylamino)but- 2- enoate
Smiles: COC(=O)/C=C/C(=O)Nc1nccs1

STK017605
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- N- (3- methylphenyl)- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)/N=c/1\oc2ccccc2cc1C(=O)Nc1cccc(c1)C

STK017613
Synonyms: (2E)- N- benzyl- 2- cyano- 3- {4- [2- (3,4- dimethylphenoxy)ethoxy]phenyl}prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(cc1)OCCOc1ccc(c(c1)C)C)/C(=O)NCc1ccccc1

STK017624
Synonyms: 1- (2- {[(2,4- dichlorophenoxy)acetyl]amino}ethyl)- 1- dodecylpiperidinium
Smiles: CCCCCCCCCCCC[N+]1(CCCCC1)CCNC(=O)COc1ccc(cc1Cl)Cl

STK017625
Synonyms: 4- [(E)- {[4- chloro- 2- (phenylcarbonyl)phenyl]imino}methyl]benzonitrile
Smiles: N#Cc1ccc(cc1)/C=N/c1ccc(cc1C(=O)c1ccccc1)Cl

STK017633
Synonyms: 1- (1H- indol- 3- yl)- 2- phenylethanone
Smiles: O=C(c1c[nH]c2c1cccc2)Cc1ccccc1

STK017657
Synonyms: N~3~- (2- methylphenyl)- N~2~- (propan- 2- yl)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 2,3- dicarboxamide
Smiles: CC(NC(=O)c1sc2c(c1C(=O)Nc1ccccc1C)CCC2)C

STK017698
Synonyms: 3- (4- chlorophenyl)- 3- [5- methyl- 2- (propan- 2- yl)phenoxy]- 2- benzofuran- 1(3H)- one
Smiles: Clc1ccc(cc1)C1(OC(=O)c2c1cccc2)Oc1cc(C)ccc1C(C)C

STK017702
Synonyms: 4- (4- chlorophenyl)- 2- {(2E)- 2- [1- (5- methylfuran- 2- yl)ethylidene]hydrazinyl}- 1,3- thiazole
Smiles: Clc1ccc(cc1)c1csc(n1)N/N=C(/c1ccc(o1)C)\C

STK017727
Synonyms: 5- [4- (piperidin- 1- yl)benzylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: O=C1NC(=O)NC(=O)C1=Cc1ccc(cc1)N1CCCCC1

STK017747
Synonyms: 2- [(E)- 2- (2- hydroxyphenyl)ethenyl]- 3- (pyridin- 2- yl)quinazolin- 4(3H)- one
Smiles: Oc1ccccc1/C=C/c1nc2ccccc2c(=O)n1c1ccccn1

STK017748
Synonyms: methyl4- (1H- indol- 3- yl)- 4- oxobutanoate
Smiles: COC(=O)CCC(=O)c1c[nH]c2c1cccc2

STK017756
Synonyms: N- {[4- (naphthalen- 1- yl)- 1,3- thiazol- 2- yl]carbamothioyl}- 2,2- diphenylacetamide
Smiles: S=C(NC(=O)C(c1ccccc1)c1ccccc1)Nc1scc(n1)c1cccc2c1cccc2

STK017786
Synonyms: N- [2- (dimethylamino)ethyl]- 1- (4- ethylbenzyl)piperidine- 4- carboxamide
Smiles: CCc1ccc(cc1)CN1CCC(CC1)C(=O)NCCN(C)C

STK017853
Synonyms: (2Z)- 7- (diethylamino)- N- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2- (phenylimino)- 2H- chromene- 3- carboxamide
Smiles: COc1ccc(cc1)c1csc(n1)NC(=O)c1cc2ccc(cc2o/c/1=N\c1ccccc1)N(CC)CC

STK017855
Synonyms: (2Z,5Z)- 5- {4- [(4- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 2- [(4- methylphenyl)imino]- 3- propyl- 1,3- thiazolidin- 4- one
Smiles: CCCN1/C(=N/c2ccc(cc2)C)/S/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)Cl)/C1=O

STK017873
Synonyms: 1- (pyridin- 3- ylcarbonyl)proline
Smiles: OC(=O)C1CCCN1C(=O)c1cccnc1

STK017874
Synonyms: ethyl{3- [(E)- (2,5- dioxoimidazolidin- 4- ylidene)methyl]- 1H- indol- 1- yl}acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)/C=C\1/NC(=O)NC1=O

STK017912
Synonyms: 2- [2- (dimethylamino)ethyl]- 3- phenylquinazolin- 4(3H)- one
Smiles: CN(CCc1nc2ccccc2c(=O)n1c1ccccc1)C

STK017918
Synonyms: ethyl(3S,4R)- 3- phenylpiperidine- 4- carboxylate
Smiles: CCOC(=O)[C@@H]1CCNC[C@@H]1c1ccccc1

STK017928
Synonyms: 2- oxo- 2H- chromene- 3- carboximidamide
Smiles: NC(=N)c1cc2ccccc2oc1=O

STK017992
Synonyms: 1- (2- ethoxybenzyl)- N- (6- hydroxy- 6- methylheptan- 2- yl)piperidine- 4- carboxamide
Smiles: CCOc1ccccc1CN1CCC(CC1)C(=O)NC(CCCC(O)(C)C)C

STK018025
Synonyms: (4- methoxyphenyl)(3- methylpiperidin- 1- yl)methanone
Smiles: COc1ccc(cc1)C(=O)N1CCCC(C1)C

STK018035
Synonyms: [(prop- 2- en- 1- ylamino)methyl]phosphonicacid
Smiles: C=CCNCP(=O)(O)O

STK018036
Synonyms: N- (2- acetyl- 5- tert- butylphenyl)propanamide
Smiles: CCC(=O)Nc1cc(ccc1C(=O)C)C(C)(C)C

STK018047
Synonyms: 1- [3- (4- fluorophenyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanoyl]- N- (3- methoxypropyl)piperidine- 4- carboxamide
Smiles: COCCCNC(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK018053
Synonyms: 4- [(E)- (4- chlorophenyl)diazenyl]- 2- [(E)- {[2- (3,4- dichlorophenyl)- 1,3- benzoxazol- 5- yl]imino}methyl]phenol
Smiles: Clc1ccc(cc1)/N=N/c1ccc(c(c1)/C=N/c1ccc2c(c1)nc(o2)c1ccc(c(c1)Cl)Cl)O

STK018081
Synonyms: 4- [3- (2,6- difluorophenyl)- 1,2,4- oxadiazol- 5- yl]- 2- (pyridin- 4- yl)quinoline
Smiles: Fc1cccc(c1c1noc(n1)c1cc(nc2c1cccc2)c1ccncc1)F

STK018092
Synonyms: (2E)- 2- {[1- (2- methylbenzyl)- 1H- indol- 3- yl]methylidene}hydrazinecarboxamide
Smiles: NC(=O)N/N=C/c1cn(c2c1cccc2)Cc1ccccc1C

STK018122
Synonyms: 4- oxo- N- (4- phenoxyphenyl)- 4- [2- (pyridin- 2- ylcarbonyl)hydrazinyl]butanamide
Smiles: O=C(NNC(=O)c1ccccn1)CCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK018124
Synonyms: 2- {4- [(Z)- (2,5- dioxoimidazolidin- 4- ylidene)methyl]- 2- methoxyphenoxy}acetamide
Smiles: COc1cc(ccc1OCC(=O)N)/C=C/1\NC(=O)NC1=O

STK018143
Synonyms: methyl4- (2- amino- 1,3- dicyano- 7- methoxydibenzo[b,d]furan- 4- yl)benzoate
Smiles: COc1ccc2c(c1)oc1c2c(C#N)c(c(c1c1ccc(cc1)C(=O)OC)C#N)N

STK018157
Synonyms: 1,2- di(biphenyl- 4- yl)ethane- 1,2- diol
Smiles: OC(C(c1ccc(cc1)c1ccccc1)O)c1ccc(cc1)c1ccccc1

STK018193
Synonyms: N- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- N'- (furan- 2- ylmethyl)butanediamide
Smiles: O=C(Nc1c(C)n(n(c1=O)c1ccccc1)C)CCC(=O)NCc1ccco1

STK018195
Synonyms: N- (3- cyano- 4- phenyl- 4H- benzo[h]chromen- 2- yl)- 2- phenylacetamide
Smiles: N#CC1=C(NC(=O)Cc2ccccc2)Oc2c(C1c1ccccc1)ccc1c2cccc1

STK018197
Synonyms: N- {4- bromo- 2- [(4- methylpiperazin- 1- yl)(oxo)acetyl]phenyl}acetamide
Smiles: CN1CCN(CC1)C(=O)C(=O)c1cc(Br)ccc1NC(=O)C

STK018203
Synonyms: S- (1- cyclohexyl- 1H- tetrazol- 5- yl)10H- phenothiazine- 10- carbothioate
Smiles: O=C(N1c2ccccc2Sc2c1cccc2)Sc1nnnn1C1CCCCC1

STK018217
Synonyms: 4- (6- methylimidazo[2,1- b][1,3]thiazol- 5- yl)- N- phenyl- 1,3- thiazol- 2- amine
Smiles: Cc1nc2n(c1c1csc(n1)Nc1ccccc1)ccs2

STK018220
Synonyms: N- (4- bromophenyl)- 5- nitrospiro[benzimidazole- 2,1'- cyclohexan]- 4- amine
Smiles: Brc1ccc(cc1)Nc1c(ccc2=NC3(N=c12)CCCCC3)[N+](=O)[O-]

STK018221
Synonyms: (2E)- 3- (1,3- benzodioxol- 5- yl)- 1- (3,4- dihydroquinolin- 1(2H)- yl)prop- 2- en- 1- one
Smiles: O=C(N1CCCc2c1cccc2)/C=C/c1ccc2c(c1)OCO2

STK018225
Synonyms: N'- [(E)- (5- chloro- 2- hydroxyphenyl)methylidene]- 2- (2- chlorophenoxy)acetohydrazide
Smiles: O=C(COc1ccccc1Cl)N/N=C/c1cc(Cl)ccc1O

STK018231
Synonyms: N- (4- phenoxyphenyl)- N'- [3- (trifluoromethyl)phenyl]butanediamide
Smiles: O=C(Nc1ccc(cc1)Oc1ccccc1)CCC(=O)Nc1cccc(c1)C(F)(F)F

STK018269
Synonyms: 2- imino- 2H,6H- [1,3,5]triazino[2,1- b][1,3]benzothiazin- 6- one
Smiles: N=c1ncn2c(n1)sc1c(c2=O)cccc1

STK018275
Synonyms: 2- [(2- tert- butyl- 6- chloroquinazolin- 4- yl)sulfanyl]acetamide
Smiles: NC(=O)CSc1nc(nc2c1cc(Cl)cc2)C(C)(C)C

STK018287
Synonyms: N- cyclohexyl- N'- [3- (propan- 2- yloxy)propyl]butanediamide
Smiles: CC(OCCCNC(=O)CCC(=O)NC1CCCCC1)C

STK018301
Synonyms: 3- acetyl- 1- [(4- methylphenyl)sulfonyl]- 4- phenylpyrrolidin- 2- one
Smiles: CC(=O)C1C(CN(C1=O)S(=O)(=O)c1ccc(cc1)C)c1ccccc1

STK018313
Synonyms: N- (1,3- thiazol- 2- yl)benzamide
Smiles: O=C(c1ccccc1)Nc1nccs1

STK018321
Synonyms: 2- chloro- 2,2- diphenylacetamide
Smiles: NC(=O)C(c1ccccc1)(c1ccccc1)Cl

STK018346
Synonyms: 4- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)benzamide
Smiles: O=C1C=CC(=O)N1c1ccc(cc1)C(=O)N

STK018362
Synonyms: 2,2,3,3- tetrafluoropropyl4- [(2- fluorophenyl)amino]- 4- oxobutanoate
Smiles: O=C(OCC(C(F)F)(F)F)CCC(=O)Nc1ccccc1F

STK018369
Synonyms: (5E)- 5- [4- (dimethylamino)benzylidene]- 1- (4- methoxyphenyl)imidazolidine- 2,4- dione
Smiles: COc1ccc(cc1)N1C(=O)NC(=O)/C/1=C\c1ccc(cc1)N(C)C

STK018380
Synonyms: 1,7,7- trimethyl- 1,2,3,6,7,9- hexahydro- 5H- imidazo[1,2- a]thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 5- one
Smiles: CN1CCn2c1nc1sc3c(c1c2=O)CC(SC3)(C)C

STK018395
Synonyms: 4- [(E)- naphthalen- 1- yldiazenyl]benzaldehyde
Smiles: O=Cc1ccc(cc1)/N=N/c1cccc2c1cccc2

STK018429
Synonyms: 4- {[(1E)- 1- (dimethylammonio)- 2- phenylethylidene]amino}- N,N- dimethylquinolin- 2- aminium
Smiles: C[NH+](/C(=N/c1cc(nc2c1cccc2)[NH+](C)C)/Cc1ccccc1)C

STK018436
Synonyms: {4- [2- (3- ethyl- 5- methylphenoxy)ethoxy]benzylidene}propanedinitrile
Smiles: CCc1cc(OCCOc2ccc(cc2)C=C(C#N)C#N)cc(c1)C

STK018457
Synonyms: 4- (dimethoxymethyl)cyclohexene
Smiles: COC(C1CCC=CC1)OC

STK018458
Synonyms: N,N'- benzene- 1,3- diylbis[2- (2- imino- 4- oxo- 1,3- thiazolidin- 5- yl)acetamide]
Smiles: O=C(Nc1cccc(c1)NC(=O)CC1SC(=N)NC1=O)CC1SC(=N)NC1=O

STK018465
Synonyms: N- {[2- (4- fluorophenyl)- 1,3- benzoxazol- 5- yl]carbamothioyl}- 3,4- dimethylbenzamide
Smiles: S=C(NC(=O)c1ccc(c(c1)C)C)Nc1ccc2c(c1)nc(o2)c1ccc(cc1)F

STK018473
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 3- (4- fluorophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK018491
Synonyms: 3- (4- methylphenyl)propylpiperidin- 1- ylacetate
Smiles: O=C(CN1CCCCC1)OCCCc1ccc(cc1)C

STK018511
Synonyms: 1- {5- [3- (2,4- dichlorophenoxy)propyl]- 1,3,4- thiadiazol- 2- yl}- 3- (4- methoxyphenyl)urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)CCCOc1ccc(cc1Cl)Cl

STK018517
Synonyms: N- {(2Z)- 6- bromo- 3- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}pyridin- 2- amine
Smiles: Cc1ccc(cc1)c1csc(n1)c1cc2cc(Br)ccc2o/c/1=N\c1ccccn1

STK018526
Synonyms: 7- methyl- 1- (morpholin- 4- yl)- 5,6,7,8- tetrahydro- 2,7- naphthyridine- 4- carbonitrile
Smiles: N#Cc1cnc(c2c1CCN(C2)C)N1CCOCC1

STK018544
Synonyms: 4- hydroxy- 1- (2- methylpropyl)- N- (5- methyl- 1,3- thiazol- 2- yl)- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CC(Cn1c(=O)c(C(=O)Nc2ncc(s2)C)c(c2c1cccc2)O)C

STK018585
Synonyms: 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (naphthalen- 2- yl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)cccc3)nnc1c1ccncc1

STK018586
Synonyms: 2- fluoro- N- [3- (morpholin- 4- ylcarbonyl)- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl]benzamide
Smiles: O=C(c1c(sc2c1CCC2)NC(=O)c1ccccc1F)N1CCOCC1

STK018600
Synonyms: pyridin- 2- yl1,3- benzodioxole- 5- carboxylate
Smiles: O=C(c1ccc2c(c1)OCO2)Oc1ccccn1

STK018606
Synonyms: N'- {(E)- [4- (diethylamino)- 2- hydroxyphenyl]methylidene}- 2- (1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetohydrazide
Smiles: CCN(c1ccc(c(c1)O)/C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)CC

STK018627
Synonyms: 5- {[4- (carboxymethyl)- 1,3- thiazol- 2- yl]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)Nc1scc(n1)CC(=O)O

STK018646
Synonyms: 2- (pyridin- 3- yl)- 6,7,8,9- tetrahydro- 4H,5H- cyclohepta[4,5]thieno[2,3- d][1,3]oxazin- 4- one
Smiles: O=c1oc(nc2c1c1CCCCCc1s2)c1cccnc1

STK018664
Synonyms: 3- [(4- chlorophenyl)amino]- 1- (4- methoxyphenyl)- 3- [4- (methylsulfanyl)phenyl]propan- 1- one
Smiles: COc1ccc(cc1)C(=O)CC(c1ccc(cc1)SC)Nc1ccc(cc1)Cl

STK018665
Synonyms: 2- (4- chlorophenyl)- N- {[4- (naphthalen- 2- yl)- 1,3- thiazol- 2- yl]carbamothioyl}acetamide
Smiles: O=C(Cc1ccc(cc1)Cl)NC(=S)Nc1scc(n1)c1ccc2c(c1)cccc2

STK018691
Synonyms: 4- {5- [(4- methylphenoxy)methyl]- 1,2,4- oxadiazol- 3- yl}pyridine
Smiles: Cc1ccc(cc1)OCc1onc(n1)c1ccncc1

STK018730
Synonyms: (5Z)- 5- ({1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 1H- indol- 3- yl}methylidene)- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(c(c1)C)OCCn1cc(c2c1cccc2)/C=C/1\SC(=S)N(C1=O)c1ccccc1

STK018736
Synonyms: 2- methoxy- 5- {(E)- [(3- methoxyphenyl)imino]methyl}phenol
Smiles: COc1cccc(c1)/N=C/c1ccc(c(c1)O)OC

STK018743
Synonyms: 2- (acetylamino)- N,N- dipropyl- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carboxamide
Smiles: CCCN(C(=O)c1c(NC(=O)C)sc2c1CCC2)CCC

STK018755
Synonyms: (4Z)- 4- [2- (4- methoxyphenyl)hydrazinylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: COc1ccc(cc1)N/N=C\1/C(=NN(C1=O)C(=S)N)C

STK018781
Synonyms: 4- {(2Z)- 2- [1- (4- nitrophenyl)- 5- oxo- 3- phenyl- 1,5- dihydro- 4H- pyrazol- 4- ylidene]hydrazinyl}naphthalene- 1- sulfonicacid
Smiles: O=C1/C(=N\Nc2ccc(c3c2cccc3)S(=O)(=O)O)/C(=NN1c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK018835
Synonyms: 6a- hydroxy- 5H- isoindolo[2,1- a][3,1]benzoxazine- 5,11(6aH)- dione
Smiles: O=C1OC2(O)N(c3c1cccc3)C(=O)c1c2cccc1

STK018947
Synonyms: 2- ({(4- bromophenyl)[(6- ethoxy- 1,3- benzothiazol- 2- yl)sulfanyl]methyl}amino)- 5,6- dihydro- 4H- cyclopenta[b]thiophene- 3- carbonitrile
Smiles: CCOc1ccc2c(c1)sc(n2)SC(c1ccc(cc1)Br)Nc1sc2c(c1C#N)CCC2

STK018949
Synonyms: ethyl(2E)- 3- {1- [2- (4- chloro- 2- methylphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1C)Cl)/C#N

STK018955
Synonyms: (5Z)- 5- [(6- methoxy- 1,3- benzodioxol- 5- yl)methylidene]- 2- thioxoimidazolidin- 4- one
Smiles: COc1cc2OCOc2cc1/C=C/1\NC(=S)NC1=O

STK018963
Synonyms: ethyl6- amino- 5- cyano- 4- (2,3- dichlorophenyl)- 2- methyl- 4H- pyran- 3- carboxylate
Smiles: CCOC(=O)C1=C(C)OC(=C(C1c1cccc(c1Cl)Cl)C#N)N

STK018996
Synonyms: methyl(1R,2R,3R,8aS)- 6- acetyl- 3- carbamoyl- 1- cyano- 2- [4- (methoxycarbonyl)phenyl]- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)C(=O)OC)C(=O)N)C(=O)C

STK019002
Synonyms: 4,4'- (1,2,4- oxadiazole- 3,5- diyl)diphenol
Smiles: Oc1ccc(cc1)c1onc(n1)c1ccc(cc1)O

STK019010
Synonyms: 2- chloro- N- cyclohexyl- 3- methylquinoline- 4- carboxamide
Smiles: O=C(c1c(C)c(Cl)nc2c1cccc2)NC1CCCCC1

STK019011
Synonyms: 2- (4- ethoxyphenyl)- 1- (morpholin- 4- yl)ethanone
Smiles: CCOc1ccc(cc1)CC(=O)N1CCOCC1

STK019020
Synonyms: N'- [(E)- (2,4- dimethoxyphenyl)methylidene]- 3- hydroxynaphthalene- 2- carbohydrazide
Smiles: COc1cc(OC)ccc1/C=N/NC(=O)c1cc2ccccc2cc1O

STK019021
Synonyms: 5- (2- chlorophenyl)- 3- (4'- fluorobiphenyl- 4- yl)- 1,2,4- oxadiazole
Smiles: Fc1ccc(cc1)c1ccc(cc1)c1noc(n1)c1ccccc1Cl

STK019032
Synonyms: 2,4- dimethyl- 6- (pyridin- 3- ylcarbamoyl)cyclohex- 3- ene- 1- carboxylicacid
Smiles: CC1=CC(C)C(C(C1)C(=O)Nc1cccnc1)C(=O)O

STK019051
Synonyms: 5- heptylpyridine- 2- carboxylicacid
Smiles: CCCCCCCc1ccc(nc1)C(=O)O

STK019057
Synonyms: (3Z)- 3- {(2E)- [(5- iodofuran- 2- yl)methylidene]hydrazinylidene}- 5- phenyl- 4,5- dihydro- 3H- pyrazole
Smiles: Ic1ccc(o1)/C=N/N=C/1\N=NC(C1)c1ccccc1

STK019085
Synonyms: 3- (4- chlorophenyl)- 3- (pyrimidin- 2- ylamino)- 2- benzofuran- 1(3H)- one
Smiles: Clc1ccc(cc1)C1(Nc2ncccn2)OC(=O)c2c1cccc2

STK019086
Synonyms: 1,1,1- trifluoro- 4- methyl- 2- phenylpentane- 2,4- diol
Smiles: OC(C(F)(F)F)(c1ccccc1)CC(O)(C)C

STK019098
Synonyms: N- (3,5- dichlorophenyl)- 3- methylbutanamide
Smiles: CC(CC(=O)Nc1cc(Cl)cc(c1)Cl)C

STK019118
Synonyms: 2- [(2- methylpropyl)carbamoyl]phenylacetate
Smiles: CC(CNC(=O)c1ccccc1OC(=O)C)C

STK019120
Synonyms: N- (4- methylphenyl)tryptophanamide
Smiles: O=C(C(Cc1c[nH]c2c1cccc2)N)Nc1ccc(cc1)C

STK019133
Synonyms: 6- ethyl- 2- [(4- hydroxyphenyl)sulfanyl]- 7- methyl- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)Sc1ccc(cc1)O

STK019136
Synonyms: ethyl4- {[6- (4- methylphenyl)imidazo[2,1- b][1,3]thiazol- 5- yl]methyl}piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)Cc1c(nc2n1ccs2)c1ccc(cc1)C

STK019146
Synonyms: 6- ethyl- 7- methyl- 2- [(4- phenyl- 5- thioxo- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl)sulfanyl]- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 5- one
Smiles: CCc1c(C)nc2n(c1=O)nc(s2)Sc1sc(=S)n(n1)c1ccccc1

STK019181
Synonyms: 3- [(3,4- dichlorobenzyl)sulfanyl]- 1- methyl- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCc2ccc(c(c2)Cl)Cl)nc(c2c1CCCC2)C

STK019212
Synonyms: methyl4- [(Z)- {(2Z)- 2- [(4- methylphenyl)imino]- 4- oxo- 3- propyl- 1,3- thiazolidin- 5- ylidene}methyl]benzoate
Smiles: CCCN1/C(=N/c2ccc(cc2)C)/S/C(=C\c2ccc(cc2)C(=O)OC)/C1=O

STK019234
Synonyms: 1- butyl- 3,4- dimethyl- 5- oxo- 2,5- dihydro- 1H- pyrrol- 2- ylacetate
Smiles: CCCCN1C(=O)C(=C(C1OC(=O)C)C)C

STK019236
Synonyms: 4- nitro- N- {[4- (propan- 2- yloxy)phenyl]carbamoyl}benzamide
Smiles: O=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)OC(C)C

STK019257
Synonyms: N- {(2Z)- 8- methoxy- 3- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}pyridin- 2- amine
Smiles: COc1cccc2c1o/c(=N\c1ccccn1)/c(c2)c1scc(n1)c1ccc(cc1)C

STK019268
Synonyms: 5- ({1- [2- (3- methoxyphenoxy)ethyl]- 2- methyl- 1H- indol- 3- yl}methylidene)- 1,3- dimethylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: COc1cccc(c1)OCCn1c2ccccc2c(c1C)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK019296
Synonyms: ethyl(3- {4- [(5- methylhexyl)oxy]phenyl}- 2,5- dioxopyrrolidin- 1- yl)acetate
Smiles: CCOC(=O)CN1C(=O)CC(C1=O)c1ccc(cc1)OCCCCC(C)C

STK019298
Synonyms: (2E)- N- benzyl- 2- cyano- 3- (2- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethoxy}phenyl)prop- 2- enamide
Smiles: N#C/C(=C\c1ccccc1OCCOc1cc(C)ccc1C(C)C)/C(=O)NCc1ccccc1

STK019300
Synonyms: 2- [{[formyl(methyl)amino]methyl}(hydroxy)phosphoryl]- 3- phenylpropanoicacid
Smiles: O=CN(CP(=O)(C(C(=O)O)Cc1ccccc1)O)C

STK019308
Synonyms: (2E)- 3- (4- methoxyphenyl)- N- [2- (4- methoxyphenyl)ethyl]prop- 2- enamide
Smiles: COc1ccc(cc1)CCNC(=O)/C=C/c1ccc(cc1)OC

STK019320
Synonyms: 8- bromo- 2- (dichloromethyl)- 4- methyl- 2,3- dihydrothieno[3,2- c]quinoline
Smiles: ClC(C1Sc2c(C1)c(C)nc1c2cc(Br)cc1)Cl

STK019345
Synonyms: N'- [(1E)- 2- ethylcyclopentylidene]- 2- (naphthalen- 2- yloxy)acetohydrazide
Smiles: CCC1CCC/C/1=N\NC(=O)COc1ccc2c(c1)cccc2

STK019350
Synonyms: (4E)- 2- (4- tert- butyl- 1,3- thiazol- 2- yl)- 4- [2- (3,4- dichlorophenyl)hydrazinylidene]- 5- methyl- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: CC1=NN(C(=O)/C/1=N/Nc1ccc(c(c1)Cl)Cl)c1scc(n1)C(C)(C)C

STK019352
Synonyms: (5Z)- 1- cyclohexyl- 5- [4- (diethylamino)- 2- hydroxybenzylidene]pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCN(c1ccc(c(c1)O)/C=C\1/C(=O)NC(=O)N(C1=O)C1CCCCC1)CC

STK019360
Synonyms: propyl3- (5- {(Z)- [5- oxo- 1- (4- sulfamoylphenyl)- 3- (trifluoromethyl)- 1,5- dihydro- 4H- pyrazol- 4- ylidene]methyl}furan- 2- yl)benzoate
Smiles: CCCOC(=O)c1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccc(cc1)S(=O)(=O)N

STK019361
Synonyms: 4,4'- {[2,4- bis(propan- 2- yloxy)phenyl]methanediyl}bis(3- methyl- 1H- pyrazol- 5- ol)
Smiles: CC(Oc1cc(ccc1C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C)OC(C)C)C

STK019382
Synonyms: 1- [{[2,2- dimethyl- 3- (2- methylprop- 1- en- 1- yl)cyclopropyl]carbonyl}(methyl)amino]- N- (2,6- dimethylphenyl)cyclohexanecarboxamide
Smiles: CC(=CC1C(C1(C)C)C(=O)N(C1(CCCCC1)C(=O)Nc1c(C)cccc1C)C)C

STK019389
Synonyms: (2E)- 2- (2- phenylhydrazinylidene)- 2H- chromene- 3- carboxamide
Smiles: NC(=O)c1cc2ccccc2o/c/1=N/Nc1ccccc1

STK019410
Synonyms: 1,1'- (E)- ethene- 1,2- diylbis(2- methoxybenzene)
Smiles: COc1ccccc1/C=C/c1ccccc1OC

STK019413
Synonyms: (5E)- 5- {3,5- dichloro- 2- [2- (4- cyclohexylphenoxy)ethoxy]benzylidene}- 3- methyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Clc1cc(Cl)c(c(c1)/C=C\1/SC(=S)N(C1=O)C)OCCOc1ccc(cc1)C1CCCCC1

STK019417
Synonyms: (2E)- 2- (phenylcarbonyl)- 3- (pyridin- 3- yl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cccnc1)/C(=O)c1ccccc1

STK019423
Synonyms: N- (4'- nitrobiphenyl- 4- yl)- 2- [(2E)- 4- oxo- 2- (phenylimino)- 1,3- thiazolidin- 5- yl]acetamide
Smiles: O=C(Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-])CC1S/C(=N/c2ccccc2)/NC1=O

STK019428
Synonyms: 3- (2- amino- 5- bromophenyl)quinoxalin- 2(1H)- one
Smiles: Brc1ccc(c(c1)c1nc2ccccc2[nH]c1=O)N

STK019433
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: Oc1ccc(c(c1)O)/C=N/c1ccc(cc1)S(=O)(=O)Nc1nccs1

STK019466
Synonyms: 2- [3- (3,5- di- tert- butyl- 4- hydroxyphenyl)propanoyl]- 4- hydroxyphthalazin- 1(2H)- one
Smiles: Oc1c(cc(cc1C(C)(C)C)CCC(=O)n1nc(O)c2c(c1=O)cccc2)C(C)(C)C

STK019576
Synonyms: 2- (1H- benzimidazol- 2- ylsulfanyl)- N'- [(1E)- 1- (4- chlorophenyl)ethylidene]acetohydrazide
Smiles: O=C(N/N=C(/c1ccc(cc1)Cl)\C)CSc1nc2c([nH]1)cccc2

STK019579
Synonyms: 3,3,5- trimethylcyclohexylpropanoate
Smiles: CCC(=O)OC1CC(C)CC(C1)(C)C

STK019589
Synonyms: 4- ({2- chloro- 4- [(Z)- (3- ethyl- 2,4- dioxo- 1,3- thiazolidin- 5- ylidene)methyl]phenoxy}methyl)benzoicacid
Smiles: CCN1C(=O)S/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)/C1=O

STK019650
Synonyms: 3- benzyl- 4- imino- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidine- 2(1H)- thione
Smiles: S=c1[nH]c2sc3c(c2c(=N)n1Cc1ccccc1)CCCC3

STK019658
Synonyms: 2- chloro- 5- ({[(3- methyl- 1- benzofuran- 2- yl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: S=C(NC(=O)c1oc2c(c1C)cccc2)Nc1ccc(c(c1)C(=O)O)Cl

STK019690
Synonyms: 6- [(4- methoxyphenyl)carbamoyl]- 4- methylcyclohex- 3- ene- 1- carboxylicacid
Smiles: COc1ccc(cc1)NC(=O)C1CC(=CCC1C(=O)O)C

STK019691
Synonyms: 2,2,4,7- tetramethyl- 1- [(4- methylphenyl)sulfonyl]- 1,2- dihydroquinoline
Smiles: Cc1ccc(cc1)S(=O)(=O)N1c2cc(C)ccc2C(=CC1(C)C)C

STK019695
Synonyms:
Smiles: O[S](=O)(c1ccccc1)Nc1cccc2c1nccc2

STK019733
Synonyms: (3E)- 3- (3- bromo- 4- hydroxy- 5- methoxybenzylidene)- 5- (4- ethoxyphenyl)furan- 2(3H)- one
Smiles: CCOc1ccc(cc1)C1=C/C(=C\c2cc(Br)c(c(c2)OC)O)/C(=O)O1

STK019758
Synonyms: 2- (2,6- dimethylphenoxy)- N- {2- [(2- methylphenoxy)methyl]- 4- oxoquinazolin- 3(4H)- yl}acetamide
Smiles: O=C(Nn1c(COc2ccccc2C)nc2c(c1=O)cccc2)COc1c(C)cccc1C

STK019762
Synonyms: 2- methyl- 5- (4- oxo- 3,4- dihydrophthalazin- 1- yl)- N- (4H- 1,2,4- triazol- 4- yl)benzenesulfonamide
Smiles: Cc1ccc(cc1S(=O)(=O)Nn1cnnc1)c1n[nH]c(=O)c2c1cccc2

STK019778
Synonyms: potassium3- [(E)- azepan- 1- yldiazenyl]benzoate
Smiles: [O-]C(=O)c1cccc(c1)/N=N/N1CCCCCC1.[K+]

STK019782
Synonyms: N- {3- [(4- chlorophenyl)carbamoyl]- 5,6- dihydro- 4H- cyclopenta[b]thiophen- 2- yl}pyridine- 3- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)c1c(sc2c1CCC2)NC(=O)c1cccnc1

STK019794
Synonyms: [(diethylamino)oxy][(4- nitrophenyl)amino]methanone
Smiles: CCN(OC(=O)Nc1ccc(cc1)[N+](=O)[O-])CC

STK019826
Synonyms: 1,3- bis(chloromethyl)- 5- ethyl- 5- phenylpyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCC1(c2ccccc2)C(=O)N(CCl)C(=O)N(C1=O)CCl

STK019847
Synonyms: N- [(2Z)- 4- methyl- 3,5- diphenyl- 1,3- thiazol- 2(3H)- ylidene]aniline
Smiles: Cc1c(s/c(=N\c2ccccc2)/n1c1ccccc1)c1ccccc1

STK019863
Synonyms: N- [3- cyano- 4- (4- methylphenyl)- 4H- benzo[h]chromen- 2- yl]- 2- phenylacetamide
Smiles: N#CC1=C(NC(=O)Cc2ccccc2)Oc2c(C1c1ccc(cc1)C)ccc1c2cccc1

STK019881
Synonyms: N- {1- [(4- methoxyphenyl)carbamoyl]cyclohexyl}- 3- (4- oxo- 2- phenyl- 1,3- thiazolidin- 3- yl)benzamide
Smiles: COc1ccc(cc1)NC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)N1C(=O)CSC1c1ccccc1

STK019932
Synonyms: (2Z)- N- [4- (biphenyl- 4- yl)- 5- methyl- 1,3- thiazol- 2- yl]- 6- chloro- 2- [(4- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: Clc1ccc2c(c1)cc(/c(=N/c1ccc(cc1)C)/o2)C(=O)Nc1sc(c(n1)c1ccc(cc1)c1ccccc1)C

STK019959
Synonyms: 2- (4- methoxybenzyl)- 4,5,6,7- tetrahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: COc1ccc(cc1)CN1C(=O)C2=C(C1=O)CCCC2

STK019964
Synonyms: N- methyl- N- [2- (6- methylpyridin- 3- yl)ethyl]- 4- nitroaniline
Smiles: Cc1ccc(cn1)CCN(c1ccc(cc1)[N+](=O)[O-])C

STK019976
Synonyms: (6Z)- 6- {3- chloro- 4- [(2,6- dichlorobenzyl)oxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCc1c(Cl)cccc1Cl)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK019983
Synonyms: [(2R,4S)- 2,6- dimethyl- 4- (naphthalen- 2- yloxy)- 3,4- dihydroquinolin- 1(2H)- yl](phenyl)methanone
Smiles: Cc1ccc2c(c1)[C@@H](Oc1ccc3c(c1)cccc3)C[C@H](N2C(=O)c1ccccc1)C

STK019990
Synonyms: (2E)- 3- {3- chloro- 5- ethoxy- 4- [2- (4- methoxyphenoxy)ethoxy]phenyl}- 2- cyano- N- phenylprop- 2- enamide
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccccc2)\C#N)cc(c1OCCOc1ccc(cc1)OC)Cl

STK020008
Synonyms: (6Z)- 6- {4- [2- (4- bromophenoxy)ethoxy]- 3- chloro- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)Br)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK020019
Synonyms: 2- methoxy- 4- {(E)- [(2Z)- (3- methyl- 1,3- benzothiazol- 2(3H)- ylidene)hydrazinylidene]methyl}- 6- nitrophenol
Smiles: COc1cc(/C=N/N=c/2\sc3c(n2C)cccc3)cc(c1O)[N+](=O)[O-]

STK020025
Synonyms: (2Z)- 4- {[1- (3- fluorophenyl)- 3- methoxy- 3- oxopropyl]amino}- 2,3- dimethyl- 4- oxobut- 2- enoicacid
Smiles: COC(=O)CC(c1cccc(c1)F)NC(=O)/C(=C(\C(=O)O)/C)/C

STK020026
Synonyms: 5- (4- ethylphenyl)- 3- [4- (trifluoromethyl)phenyl]- 1,2,4- oxadiazole
Smiles: CCc1ccc(cc1)c1onc(n1)c1ccc(cc1)C(F)(F)F

STK020031
Synonyms: 6- (1H- benzimidazol- 2- yl)pyridazin- 3(2H)- one
Smiles: O=c1ccc(n[nH]1)c1nc2c([nH]1)cccc2

STK020032
Synonyms: N- [4- (benzyloxy)phenyl]- N'- (4- phenoxyphenyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CCC(=O)Nc1ccc(cc1)Oc1ccccc1

STK020035
Synonyms: 2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 3- phenylpropane- 1,3- dione
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK020056
Synonyms: propan- 2- yl(2Z)- 5- (4- methoxyphenyl)- 7- methyl- 2- ({1- [(3- nitrophenyl)sulfonyl]- 1H- indol- 3- yl}methylidene)- 3- oxo- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cn(c3c1cccc3)S(=O)(=O)c1cccc(c1)[N+](=O)[O-])/s2)C(=O)OC(C)C

STK020069
Synonyms: 5- ({[1- (3- carboxycyclopentyl)ethyl]sulfanyl}methyl)furan- 2- carboxylicacid
Smiles: CC(C1CCC(C1)C(=O)O)SCc1ccc(o1)C(=O)O

STK020072
Synonyms: ethyl(2E)- 2- cyano- 3- (2- methyl- 1- {2- [5- methyl- 2- (propan- 2- yl)phenoxy]ethyl}- 1H- indol- 3- yl)prop- 2- enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1cc(C)ccc1C(C)C)/C#N

STK020087
Synonyms: [4- (biphenyl- 4- yl)- 2- (2- methoxyphenyl)- 1,3- thiazol- 5- yl]aceticacid
Smiles: COc1ccccc1c1sc(c(n1)c1ccc(cc1)c1ccccc1)CC(=O)O

STK020135
Synonyms: (8xi,9xi,12xi,13xi,14xi,17xi,22xi,25xi)- 20- hydroxycev- 5- en- 3- ylacetate
Smiles: CC1CCC2N(C1)CC1C([C@]2(C)O)CCC2C1CC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C

STK020200
Synonyms: N- cycloheptyl- 1- (2- methoxybenzyl)piperidine- 4- carboxamide
Smiles: COc1ccccc1CN1CCC(CC1)C(=O)NC1CCCCCC1

STK020208
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- (2- methoxyphenyl)pyrrolidine- 2,5- dione
Smiles: COc1ccccc1N1C(=O)CC(C1=O)n1cnc2c1cccc2

STK020218
Synonyms: 2- {[(4,5- diphenyl- 1H- imidazol- 2- yl)sulfanyl]methyl}- 5- nitro- 1H- benzimidazole
Smiles: [O-][N+](=O)c1ccc2c(c1)nc([nH]2)CSc1nc(c([nH]1)c1ccccc1)c1ccccc1

STK020223
Synonyms: (5Z)- 5- (4- bromobenzylidene)- 3- (pyrrolidin- 1- ylmethyl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: O=C1/C(=C/c2ccc(cc2)Br)/SC(=S)N1CN1CCCC1

STK020232
Synonyms: 4- fluoro- N- (3- nitrophenyl)benzamide
Smiles: Fc1ccc(cc1)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STK020244
Synonyms: 2- (3,4- dimethylphenyl)- 3a,4,7,7a- tetrahydro- 1H- 4,7- methanoisoindole- 1,3(2H)- dione
Smiles: O=C1N(c2ccc(c(c2)C)C)C(=O)C2C1C1C=CC2C1

STK020246
Synonyms: 3,4- dihydroisoquinolin- 2(1H)- yl[1- (2- hydroxybenzyl)piperidin- 4- yl]methanone
Smiles: O=C(N1CCc2c(C1)cccc2)C1CCN(CC1)Cc1ccccc1O

STK020257
Synonyms: 4- (hydroxymethyl)- 2,6- dimethylphenol
Smiles: OCc1cc(C)c(c(c1)C)O

STK020267
Synonyms: N,N- dimethyl- 4- {(E)- [2- (4- methyl- 6- phenylpyrimidin- 2- yl)hydrazinylidene]methyl}- 2- nitroaniline
Smiles: Cc1nc(N/N=C/c2ccc(c(c2)[N+](=O)[O-])N(C)C)nc(c1)c1ccccc1

STK020279
Synonyms: 3- (benzylsulfanyl)- N- [(E)- furan- 2- ylmethylidene]- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 4- amine
Smiles: c1ccc(cc1)CSc1nnc(n1/N=C/c1ccco1)c1ccncc1

STK020284
Synonyms: methyl3- nitro- 5- [(2,4,5- trichlorophenyl)carbamoyl]benzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cc(Cl)c(cc1Cl)Cl

STK020289
Synonyms: 1- (3,4- dimethoxyphenyl)- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc(ccc1OC)C1NCCc2c1cc(OC)c(c2)OC

STK020296
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- cyclohexylphenoxy)ethoxy]- 5- methoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCCOc1ccc(cc1)C1CCCCC1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK020298
Synonyms: 4- methylphenyl4- ({4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}amino)- 4- oxobutanoate
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)Oc1ccc(cc1)C

STK020316
Synonyms: 4- (phenylcarbonyl)- 2,3,3a,4- tetrahydropyrrolo[2,1- b]quinazolin- 9(1H)- one
Smiles: O=C(N1C2CCCN2C(=O)c2c1cccc2)c1ccccc1

STK020329
Synonyms: N- (6- methyl- 1,3- benzothiazol- 2- yl)thiophene- 2- carboxamide
Smiles: Cc1ccc2c(c1)sc(n2)NC(=O)c1cccs1

STK020362
Synonyms: N,N- bis(2- methylpropyl)- 1,2,3,4- tetrahydropyrido[1,2- a]benzimidazole- 7- sulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc2c(c1)nc1n2CCCC1)CC(C)C)C

STK020364
Synonyms: 4- phenyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5(4H)- one
Smiles: O=c1c2c3CCCc3sc2n2c(n1c1ccccc1)nnn2

STK020374
Synonyms: 2- oxo- 2- phenylethyltricyclo[3.3.1.1~3,7~]decane- 1- carboxylate
Smiles: O=C(c1ccccc1)COC(=O)C12CC3CC(C2)CC(C1)C3

STK020376
Synonyms: 1- (3- methoxyphenyl)- 3- [5- (propan- 2- yl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1cccc(c1)NC(=O)Nc1nnc(s1)C(C)C

STK020384
Synonyms: N- benzyl- N- (3,4,5- trimethoxybenzyl)ethanamine
Smiles: CCN(Cc1ccccc1)Cc1cc(OC)c(c(c1)OC)OC

STK020397
Synonyms: 6- nitropyridin- 3- ol
Smiles: Oc1ccc(nc1)[N+](=O)[O-]

STK020404
Synonyms: 1- {[(E)- furan- 2- ylmethylidene]amino}- 2- thioxoimidazolidin- 4- one
Smiles: O=C1NC(=S)N(C1)/N=C/c1ccco1

STK020409
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 4- bromobenzenesulfonamide
Smiles: Brc1ccc(cc1)S(=O)(=O)NCc1ccc2c(c1)OCO2

STK020440
Synonyms: methyl3- [(3- fluorophenyl)carbamoyl]- 5- nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cccc(c1)F

STK020447
Synonyms: 3- (1H- benzimidazol- 2- yl)- 6,8- dibromo- 4- hydroxyquinolin- 2(1H)- one
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(=O)[nH]2)c1nc2c([nH]1)cccc2

STK020457
Synonyms: ethyl6- [5- ({[5- cyano- 4- (3- methoxyphenyl)- 6- oxo- 1,6- dihydropyrimidin- 2- yl]sulfanyl}methyl)- 2- oxo- 2,3- dihydro- 1H- imidazol- 4- yl]- 6- oxohexanoate
Smiles: CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(c2cccc(c2)OC)c(c(=O)[nH]1)C#N

STK020463
Synonyms: 9- methyl- 3- phenyl- 1,4- dihydro[1,2,4]triazino[3,4- f]purine- 6,8(7H,9H)- dione
Smiles: O=c1[nH]c(=O)n(c2c1n1CC(=NNc1n2)c1ccccc1)C

STK020474
Synonyms: 3- benzyl- 2- [(2,4- dimethylbenzyl)sulfanyl]- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(c(c1)C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(OC3)(C)C

STK020494
Synonyms: 3- (3,4- dimethoxybenzyl)- 5- (3- methylphenyl)- 1,2,4- oxadiazole
Smiles: COc1cc(ccc1OC)Cc1noc(n1)c1cccc(c1)C

STK020515
Synonyms: N- [2- (4- chlorophenyl)ethyl]- N'- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)pentanediamide
Smiles: O=C(NCCc1ccc(cc1)Cl)CCCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C

STK020533
Synonyms: 2- {[1- (2,3- dichlorophenyl)- 3- methoxy- 3- oxopropyl]carbamoyl}cyclohex- 1- ene- 1- carboxylicacid
Smiles: COC(=O)CC(c1cccc(c1Cl)Cl)NC(=O)C1=C(CCCC1)C(=O)O

STK020538
Synonyms: 2- (4- fluorophenyl)hexahydro- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1C2CCCCC2C(=O)N1c1ccc(cc1)F

STK020544
Synonyms: 2- [(1,6- dibromonaphthalen- 2- yl)oxy]- 1- (4- methylpiperidin- 1- yl)ethanone
Smiles: CC1CCN(CC1)C(=O)COc1ccc2c(c1Br)ccc(c2)Br

STK020557
Synonyms: 2- [(2- phenylethyl)carbamoyl]phenylacetate
Smiles: CC(=O)Oc1ccccc1C(=O)NCCc1ccccc1

STK020589
Synonyms: N'~1~,N'~2~- bis[(E)- (5- chloro- 2- hydroxyphenyl)methylidene]ethanedihydrazide
Smiles: O=C(C(=O)N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O

STK020605
Synonyms: N'- (naphthalen- 1- ylcarbonyl)pyridine- 4- carbohydrazide
Smiles: O=C(c1cccc2c1cccc2)NNC(=O)c1ccncc1

STK020617
Synonyms: 5- bromo- N- [4- ([1,3]oxazolo[4,5- b]pyridin- 2- yl)phenyl]naphthalene- 1- carboxamide
Smiles: O=C(c1cccc2c1cccc2Br)Nc1ccc(cc1)c1nc2c(o1)cccn2

STK020627
Synonyms: 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 4,5,6,10c- tetrahydropyrrolo[3,4- c]carbazole- 1,3(2H,3aH)- dione
Smiles: O=C1N(CC(=O)N2CCCC2)C(=O)C2C1c1c(CC2)[nH]c2c1cccc2

STK020646
Synonyms: (2E)- 1- (4,4,7,8- tetramethyl- 1- thioxo- 1,4- dihydro- 5H- [1,2]dithiolo[3,4- c]quinolin- 5- yl)but- 2- en- 1- one
Smiles: C/C=C/C(=O)N1c2cc(C)c(cc2c2c(C1(C)C)ssc2=S)C

STK020686
Synonyms: chloro[3- (2,4- dinitrophenyl)- 3- (formyloxy)propyl]mercury
Smiles: Cl[Hg]CCC(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OC=O

STK020740
Synonyms: 5- bromo- N'- [(1E)- 1- (1- hydroxynaphthalen- 2- yl)ethylidene]pyridine- 3- carbohydrazide
Smiles: Brc1cncc(c1)C(=O)N/N=C(/c1ccc2c(c1O)cccc2)\C

STK020789
Synonyms: methyl4- ({[(4- chlorobenzyl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSCc1ccc(cc1)Cl

STK020816
Synonyms: N'- [(2- chlorophenyl)carbonyl]tetrahydrofuran- 2- carbohydrazide
Smiles: O=C(C1CCCO1)NNC(=O)c1ccccc1Cl

STK020821
Synonyms: 1- (2- hydroxyphenyl)- 1H- pyrrole- 2,5- dione
Smiles: O=C1C=CC(=O)N1c1ccccc1O

STK020825
Synonyms: 4- {[1- (2,4,6- trimethylphenyl)- 1H- tetrazol- 5- yl]methyl}morpholine
Smiles: Cc1cc(C)c(c(c1)C)n1nnnc1CN1CCOCC1

STK020845
Synonyms: 6- hydroxy- 2- (pyrrolidin- 1- ylmethyl)pyridazin- 3(2H)- one
Smiles: Oc1ccc(=O)n(n1)CN1CCCC1

STK020848
Synonyms: N- [(5- tert- butyl- 2- hydroxyphenyl)carbamothioyl]- 2- phenoxyacetamide
Smiles: O=C(NC(=S)Nc1cc(ccc1O)C(C)(C)C)COc1ccccc1

STK020851
Synonyms: 8- {[2- (2,4- dichlorophenyl)- 2- oxoethyl]sulfanyl}- 1,3- dimethyl- 3,9- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c([nH]1)n(C)c(=O)n(c2=O)C

STK020858
Synonyms: 2- (naphthalen- 1- ylamino)- N'- (2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)acetohydrazide(non- preferredname)
Smiles: O=C(CNc1cccc2c1cccc2)NN=C1C(=O)NC(=O)NC1=O

STK020871
Synonyms: N- {[4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]carbamothioyl}- 2- nitrobenzamide
Smiles: S=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1scc(n1)c1ccc(cc1)Cl

STK020890
Synonyms: 5- bromo- N- [4- (4- bromophenyl)- 1,3- thiazol- 2- yl]naphthalene- 1- carboxamide
Smiles: Brc1ccc(cc1)c1csc(n1)NC(=O)c1cccc2c1cccc2Br

STK020905
Synonyms: 2- chloro- 5- ({[(3- chloro- 4- methoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: COc1ccc(cc1Cl)C(=O)NC(=S)Nc1ccc(c(c1)C(=O)O)Cl

STK020906
Synonyms: sodium[(dimethylamino)methyl][2- (2,5- dioxopyrrolidin- 1- yl)ethyl]phosphinate
Smiles: [Na]OP(=O)(CN(C)C)CCN1C(=O)CCC1=O

STK020927
Synonyms: N- [4- (2- cyclohexylethoxy)phenyl]- N'- (tetrahydrofuran- 2- ylmethyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)OCCC1CCCCC1)CCC(=O)NCC1CCCO1

STK020941
Synonyms: 4- methylphenyl4- {[4- (azepan- 1- ylsulfonyl)phenyl]amino}- 4- oxobutanoate
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)CCC(=O)Oc1ccc(cc1)C

STK020942
Synonyms: 3- (3- chlorophenyl)- 6- methoxy- 4- methylidene- 3,4- dihydroquinazolin- 2(1H)- one
Smiles: COc1ccc2c(c1)c(=C)n(c(=O)[nH]2)c1cccc(c1)Cl

STK020950
Synonyms: N'- [(1E)- 1- (naphthalen- 1- yl)ethylidene]pyridine- 3- carbohydrazide
Smiles: O=C(c1cccnc1)N/N=C(/c1cccc2c1cccc2)\C

STK020954
Synonyms: (4E)- 2- (5- tert- butyl- 1,3- thiazol- 2- yl)- 4- [2- (2,3- dimethylphenyl)hydrazinylidene]- 5- (4- nitrophenyl)- 2,4- dihydro- 3H- pyrazol- 3- one
Smiles: O=C1N(N=C(/C/1=N\Nc1cccc(c1C)C)c1ccc(cc1)[N+](=O)[O-])c1ncc(s1)C(C)(C)C

STK020969
Synonyms: N- [4- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)phenyl]- N- methylacetamide
Smiles: CC(=O)N(c1ccc(cc1)/N=C/c1ccc(cc1)OCc1ccccc1)C

STK020998
Synonyms: 1- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)- 3- [4- (piperidin- 1- ylcarbonyl)piperidin- 1- yl]propane- 1,3- dione
Smiles: O=C(C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-])N1CCC(CC1)C(=O)N1CCCCC1

STK020999
Synonyms: 6- amino- 3- methyl- 4- (4- methylphenyl)- 1- phenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)C)c(C)nn2c1ccccc1

STK021017
Synonyms: (4Z)- 4- (2- hydroxy- 3- nitrobenzylidene)- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: O=C1OC(=N/C/1=C\c1cccc(c1O)[N+](=O)[O-])c1ccccc1

STK021051
Synonyms: N- methylpyridine- 4- carboxamide- 4- bromo- 2- (iminomethyl)phenol(1:1)
Smiles: CNC(=O)c1ccncc1.N=Cc1cc(Br)ccc1O

STK021058
Synonyms: ethyl4- [N- (3- chloro- 2- methylphenyl)- N- (methylsulfonyl)glycyl]piperazine- 1- carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)CN(S(=O)(=O)C)c1cccc(c1C)Cl

STK021074
Synonyms: 6- chloro- 4- phenyl- 3- [(4- propoxypyrimidin- 2- yl)sulfanyl]quinolin- 2(1H)- one
Smiles: CCCOc1ccnc(n1)Sc1c(=O)[nH]c2c(c1c1ccccc1)cc(cc2)Cl

STK021075
Synonyms: 2,6- dimethyl- N- [(E)- (4- methylphenyl)methylidene]pyridin- 3- amine
Smiles: Cc1ccc(cc1)/C=N/c1ccc(nc1C)C

STK021083
Synonyms: 7,7- dimethyl- 1- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 4- phenyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CC(OC3)(C)C

STK021096
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- (piperidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCC1

STK021110
Synonyms: 2- chloro- N- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 4- methylbenzamide
Smiles: Clc1ccc(cc1)c1csc(n1)NC(=O)c1ccc(cc1Cl)C

STK021121
Synonyms: N'- (butan- 2- yl)- 6- [(1,1,1,3,3,3- hexafluoropropan- 2- yl)oxy]- N,N- dipropyl- 1,3,5- triazine- 2,4- diamine
Smiles: CCCN(c1nc(NC(CC)C)nc(n1)OC(C(F)(F)F)C(F)(F)F)CCC

STK021127
Synonyms: 6- chloro- 3- [2- (2- imino- 8- methoxy- 2H- chromen- 3- yl)- 1,3- thiazol- 4- yl]- 2H- chromen- 2- one
Smiles: COc1cccc2c1oc(=N)c(c2)c1scc(n1)c1cc2cc(Cl)ccc2oc1=O

STK021156
Synonyms: N- [1- (4- fluorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- (furan- 2- ylmethyl)propanamide
Smiles: CCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)F)Cc1ccco1

STK021192
Synonyms: 3- (9H- fluoren- 2- ylamino)- 6,6- dimethylcyclohex- 2- en- 1- one
Smiles: O=C1C=C(CCC1(C)C)Nc1ccc2c(c1)Cc1c2cccc1

STK021193
Synonyms: N- [4- (5- ethyl- 1,3- benzoxazol- 2- yl)phenyl]- 2- methoxybenzamide
Smiles: CCc1ccc2c(c1)nc(o2)c1ccc(cc1)NC(=O)c1ccccc1OC

STK021214
Synonyms: (5E)- 5- [4- (benzyloxy)- 3- chloro- 5- ethoxybenzylidene]- 3- phenyl- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccccc2)cc(c1OCc1ccccc1)Cl

STK021223
Synonyms: 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: COc1cc2CCN(Cc2cc1OC)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK021275
Synonyms: 3- (2,4- dichlorophenyl)- N'- [(E)- (2,4- dichlorophenyl)methylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: Clc1ccc(c(c1)Cl)/C=N/NC(=O)c1[nH]nc(c1)c1ccc(cc1Cl)Cl

STK021299
Synonyms: 2- chloro- N- (3- chloro- 4- methylphenyl)benzamide
Smiles: Clc1cc(ccc1C)NC(=O)c1ccccc1Cl

STK021300
Synonyms: 2- hydroxy- 3- methyl- N'- (2- phenoxypropanoyl)benzohydrazide
Smiles: CC(C(=O)NNC(=O)c1cccc(c1O)C)Oc1ccccc1

STK021325
Synonyms: 5- {4- [acetyl(phenyl)amino]- 2- methyl- 3,4- dihydroquinolin- 1(2H)- yl}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)N1C(C)CC(c2c1cccc2)N(c1ccccc1)C(=O)C

STK021341
Synonyms: ethyl2- {[(4- ethylphenyl)sulfanyl]methyl}- 5- hydroxy- 1- benzofuran- 3- carboxylate
Smiles: CCOC(=O)c1c(CSc2ccc(cc2)CC)oc2c1cc(O)cc2

STK021342
Synonyms: 3- butoxy- N- [4- (piperidin- 1- yl)phenyl]benzamide
Smiles: CCCCOc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1

STK021352
Synonyms: 2- amino- 4- (2- hydroxy- 5- nitrophenyl)- 7,7- dimethyl- 5- oxo- 5,6,7,8- tetrahydro- 4H- chromene- 3- carbonitrile
Smiles: N#CC1=C(N)OC2=C(C1c1cc(ccc1O)[N+](=O)[O-])C(=O)CC(C2)(C)C

STK021378
Synonyms: (5Z)- 3- benzyl- 5- [(2Z)- 3- bromo- 3- phenylprop- 2- en- 1- ylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: Br/C(=C\C=C\1/SC(=S)N(C1=O)Cc1ccccc1)/c1ccccc1

STK021404
Synonyms: (2E)- 2- [4- (benzyloxy)- 3- iodo- 5- methoxybenzylidene][1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(cc(c1OCc1ccccc1)I)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

STK021408
Synonyms: 1- {4- [(4- methylpiperazin- 1- yl)carbonyl]piperidin- 1- yl}- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropane- 1,3- dione
Smiles: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1ccccc1

STK021414
Synonyms: 1- [2- (3,5- dichlorophenyl)propan- 2- yl]- 5- hydroxy- 4- methyl- 3- phenyl- 1,5- dihydro- 2H- pyrrol- 2- one
Smiles: Clc1cc(Cl)cc(c1)C(N1C(O)C(=C(C1=O)c1ccccc1)C)(C)C

STK021438
Synonyms: 1- methylpiperidin- 3- yl4- bromobenzoate
Smiles: CN1CCCC(C1)OC(=O)c1ccc(cc1)Br

STK021455
Synonyms: pyridin- 2- yl2- iodobenzoate
Smiles: O=C(c1ccccc1I)Oc1ccccn1

STK021456
Synonyms: (2Z)- 4- {[4- (benzyloxy)phenyl]amino}- 2,3- dimethyl- 4- oxobut- 2- enoicacid
Smiles: O=C(/C(=C(\C(=O)O)/C)/C)Nc1ccc(cc1)OCc1ccccc1

STK021481
Synonyms: 1- (4- chlorophenyl)- N- (3,4- dimethylphenyl)- 5- oxopyrrolidine- 3- carboxamide
Smiles: Clc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(c(c1)C)C

STK021488
Synonyms: (2Z)- 2- (2- carbamothioylhydrazinylidene)- 2H- chromene- 3- carboxamide
Smiles: NC(=S)N/N=c/1\oc2ccccc2cc1C(=O)N

STK021498
Synonyms: methylbenzoate
Smiles: COC(=O)c1ccccc1

STK021524
Synonyms: 4- (2,6- dimethyl- 4- oxo- 5- phenylpyrimidin- 1(4H)- yl)- 2- hydroxybenzoicacid
Smiles: Cc1nc(=O)c(c(n1c1ccc(c(c1)O)C(=O)O)C)c1ccccc1

STK021541
Synonyms: 1- {4- [(4- methylpiperazin- 1- yl)carbonyl]piperidin- 1- yl}- 3- (3- nitrophenyl)- 2- (2- oxopyridin- 1(2H)- yl)propane- 1,3- dione
Smiles: CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)C(n1ccccc1=O)C(=O)c1cccc(c1)[N+](=O)[O-]

STK021559
Synonyms: N- {[3- (trifluoromethyl)phenyl]carbamothioyl}propanamide
Smiles: CCC(=O)NC(=S)Nc1cccc(c1)C(F)(F)F

STK021565
Synonyms: 2- bromo- N- [(E)- (4- ethoxyphenyl)methylidene]- 4- nitroaniline
Smiles: CCOc1ccc(cc1)/C=N/c1ccc(cc1Br)[N+](=O)[O-]

STK021567
Synonyms: 1- [(E)- {2- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]hydrazinylidene}methyl]naphthalen- 2- ol
Smiles: Clc1ccc(cc1)c1csc(n1)N/N=C/c1c(O)ccc2c1cccc2

STK021575
Synonyms: 1- (4- methoxyphenyl)- 3- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)CC(C)C

STK021581
Synonyms: 2- (4- chloro- 2- nitrophenoxy)- N'- [(E)- {2- hydroxy- 5- [(E)- naphthalen- 1- yldiazenyl]phenyl}methylidene]acetohydrazide
Smiles: O=C(COc1ccc(cc1[N+](=O)[O-])Cl)N/N=C/c1cc(ccc1O)/N=N/c1cccc2c1cccc2

STK021582
Synonyms: 2- methyl- 2,4- bis(2- methyl- 1H- indol- 3- yl)- 2,3- dihydro- 1H- 1,5- benzodiazepine
Smiles: Cc1[nH]c2c(c1C1=Nc3ccccc3NC(C1)(C)c1c(C)[nH]c3c1cccc3)cccc2

STK021606
Synonyms: sodium3- (butyl{[ethoxy(methyl)phosphoryl]methyl}amino)propanoate
Smiles: CCCCN(CP(=O)(OCC)C)CCC(=O)O[Na]

STK021609
Synonyms: 2- [(2E)- 2- (3,5- dichloro- 4- methoxybenzylidene)hydrazinyl]- 5- nitropyridine
Smiles: COc1c(Cl)cc(cc1Cl)/C=N/Nc1ccc(cn1)[N+](=O)[O-]

STK021617
Synonyms: 5- (3- propoxybenzyl)- 2H- tetrazole
Smiles: CCCOc1cccc(c1)Cc1nn[nH]n1

STK021630
Synonyms: 4- butyl- N'- [(4- phenylcyclohexyl)carbonyl]cyclohexanecarbohydrazide
Smiles: CCCCC1CCC(CC1)C(=O)NNC(=O)C1CCC(CC1)c1ccccc1

STK021632
Synonyms: N- benzylpiperidine- 4- carboxamide
Smiles: O=C(C1CCNCC1)NCc1ccccc1

STK021651
Synonyms: 1- [(N- acetylglycyl)amino]- N- (2- methylphenyl)cyclohexanecarboxamide
Smiles: O=C(NC1(CCCCC1)C(=O)Nc1ccccc1C)CNC(=O)C

STK021675
Synonyms: N- (5- chloropyridin- 2- yl)naphthalene- 1- carboxamide
Smiles: Clc1ccc(nc1)NC(=O)c1cccc2c1cccc2

STK021679
Synonyms: (5Z)- 1- (4- bromophenyl)- 5- {3,5- dichloro- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(c(c2)Cl)OCCOc2cccc(c2)C)/C1=O

STK021680
Synonyms: 2- (5- amino- 1- phenyl- 1H- 1,2,4- triazol- 3- yl)- 1H- isoindole- 1,3(2H)- dione
Smiles: O=C1N(c2nn(c(n2)N)c2ccccc2)C(=O)c2c1cccc2

STK021686
Synonyms: 3- phenyl- 7- (6- phenylhexyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CCN(C3)CCCCCCc1ccccc1

STK021693
Synonyms: 2- bromo- N- (7- propanoyl- 2,3- dihydro- 1,4- benzodioxin- 6- yl)acetamide
Smiles: CCC(=O)c1cc2OCCOc2cc1NC(=O)CBr

STK021697
Synonyms: (5E)- 1- (4- chlorophenyl)- 5- (4- {2- [(4- methylphenyl)sulfanyl]ethoxy}benzylidene)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: Cc1ccc(cc1)SCCOc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl

STK021707
Synonyms: 1- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 7,7- dimethyl- 4- (phenylcarbonyl)- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2C(=O)c1ccccc1)CC(OC3)(C)C

STK021713
Synonyms: 2- methoxy- 4- [(E)- (5- oxo- 3- phenyl- 1,2- oxazol- 4(5H)- ylidene)methyl]phenyl2- chlorobenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1Cl)/C=C\1/C(=O)ON=C1c1ccccc1

STK021717
Synonyms: 2- [(6- oxo- 6H- benzo[c]chromen- 3- yl)oxy]propanoicacid
Smiles: OC(=O)C(Oc1ccc2c(c1)oc(=O)c1c2cccc1)C

STK021730
Synonyms: N- (acridin- 9- yl)- 4- methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)Nc1c2ccccc2nc2c1cccc2

STK021736
Synonyms: N- (1,3- benzothiazol- 2- yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccccc1)Nc1nc2c(s1)cccc2

STK021766
Synonyms: N- (4- chloro- 2- nitrophenyl)- 4- iodobenzamide
Smiles: Ic1ccc(cc1)C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl

STK021771
Synonyms: 1- (4- methoxyphenyl)- 5- oxo- N- (4- phenoxyphenyl)pyrrolidine- 3- carboxamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(cc1)Oc1ccccc1

STK021775
Synonyms: 4- phenylcyclohexyl3- (2- chlorophenyl)- 5- methyl- 1,2- oxazole- 4- carboxylate
Smiles: O=C(c1c(C)onc1c1ccccc1Cl)OC1CCC(CC1)c1ccccc1

STK021780
Synonyms: N- [(E)- {3- [(4- fluorophenoxy)methyl]- 4- methoxyphenyl}methylidene]- 4H- 1,2,4- triazol- 4- amine
Smiles: COc1ccc(cc1COc1ccc(cc1)F)/C=N/n1cnnc1

STK021808
Synonyms: N'- (3,5- di- tert- butyl- 4- oxocyclohexa- 2,5- dien- 1- ylidene)pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)N/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

STK021811
Synonyms: N'- [(E)- {4- [3- (3,5- dimethylphenoxy)propoxy]- 3- ethoxyphenyl}methylidene]acetohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)C)ccc1OCCCOc1cc(C)cc(c1)C

STK021844
Synonyms: (2E)- 2- (3- iodobenzylidene)- 6- methoxybenzo[de]chromen- 3(2H)- one
Smiles: COc1ccc2c3c1cccc3o/c(=C/c1cccc(c1)I)/c2=O

STK021860
Synonyms: [6,7- dimethoxy- 1- (3- nitrophenyl)- 3,4- dihydroisoquinolin- 2(1H)- yl](2- hydroxyphenyl)methanone
Smiles: COc1cc2CCN(C(c2cc1OC)c1cccc(c1)[N+](=O)[O-])C(=O)c1ccccc1O

STK021865
Synonyms: 2- [1- ethyl- 3- (4- methoxybenzyl)- 5- oxo- 2- thioxoimidazolidin- 4- yl]- N- phenylacetamide
Smiles: CCN1C(=S)N(C(C1=O)CC(=O)Nc1ccccc1)Cc1ccc(cc1)OC

STK021884
Synonyms: methyl2'- amino- 2,5'- dioxo- 1,2- dihydro- 5'H- spiro[indole- 3,4'- pyrano[3,2- c]chromene]- 3'- carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C31C(=O)Nc1c3cccc1)c(=O)oc1c2cccc1

STK021888
Synonyms: N- tert- butyl- 4,6- dichloro- 1,3,5- triazin- 2- amine
Smiles: CC(Nc1nc(Cl)nc(n1)Cl)(C)C

STK021902
Synonyms: N''- {(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}carbonohydrazonicdiamide
Smiles: COc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1

STK021961
Synonyms: N'~1~,N'~2~- bis[(1E,2Z)- 2- chloro- 3- (4- nitrophenyl)prop- 2- en- 1- ylidene]ethanedihydrazide
Smiles: O=C(C(=O)N/N=C/C(=C/c1ccc(cc1)[N+](=O)[O-])/Cl)N/N=C/C(=C/c1ccc(cc1)[N+](=O)[O-])/Cl

STK021970
Synonyms: 3,5- dichloro- 2- ({[(3- propoxyphenyl)carbonyl]carbamothioyl}amino)benzoicacid
Smiles: CCCOc1cccc(c1)C(=O)NC(=S)Nc1c(Cl)cc(cc1C(=O)O)Cl

STK021979
Synonyms: (2Z)- 3- {1- [2- (3,4- dimethylphenoxy)ethyl]- 1H- indol- 3- yl}- 2- (4- nitrophenyl)prop- 2- enenitrile
Smiles: N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccc(c(c1)C)C)/c1ccc(cc1)[N+](=O)[O-]

STK022023
Synonyms: 2- (3,4- dimethylphenoxy)- N'- phenylacetohydrazide
Smiles: O=C(NNc1ccccc1)COc1ccc(c(c1)C)C

STK022028
Synonyms: 4- ({2- [2- (4- chlorophenyl)ethyl]- 3- oxo- 2,3,4,5,6,7- hexahydro- 1H- isoindol- 1- yl}amino)benzonitrile
Smiles: N#Cc1ccc(cc1)NC1N(CCc2ccc(cc2)Cl)C(=O)C2=C1CCCC2

STK022044
Synonyms: 5- {[(E)- (2,3- dihydroxyphenyl)methylidene]amino}- 2,3- dihydrophthalazine- 1,4- dione
Smiles: Oc1cccc(c1O)/C=N/c1cccc2c1c(=O)[nH][nH]c2=O

STK022048
Synonyms: 3- chloro- N- {[2- (5- chloronaphthalen- 1- yl)- 1,3- benzoxazol- 5- yl]carbamothioyl}benzamide
Smiles: S=C(NC(=O)c1cccc(c1)Cl)Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Cl

STK022049
Synonyms: N- {2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanoyl}- D- norleucine
Smiles: CCCC[C@H](C(=O)O)NC(=O)C(Oc1ccc2c(c1)oc(=O)cc2C)C

STK022051
Synonyms: (2Z)- 2- [2- (4- chloro- 3- nitrophenyl)hydrazinylidene]- 2- cyanoethanamide
Smiles: N#C/C(=N/Nc1ccc(c(c1)[N+](=O)[O-])Cl)/C(=O)N

STK022057
Synonyms: 4- bromo- 4'- propyl- 1,1'- bi(cyclohexyl)
Smiles: CCCC1CCC(CC1)C1CCC(CC1)Br

STK022060
Synonyms: 6- amino- 1,3,4- triphenyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1)c(nn2c1ccccc1)c1ccccc1

STK022071
Synonyms: (3E)- 3- (methylimino)- 3H- benzo[f]chromene- 2- carboxamide
Smiles: C/N=c\1/oc2ccc3c(c2cc1C(=O)N)cccc3

STK022083
Synonyms: 2- (2,5- dioxo- 2,5- dihydro- 1H- pyrrol- 1- yl)benzamide
Smiles: O=C1C=CC(=O)N1c1ccccc1C(=O)N

STK022085
Synonyms: [(P,P- dimethyl- N- phenylphosphorimidoyl)(triphenyl- lambda~5~- phosphanylidene)methyl](triphenyl)phosphonium
Smiles: CP(=Nc1ccccc1)(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C

STK022094
Synonyms: 1- (4- methoxyphenyl)- 3- [5- (1- phenylethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1ccc(cc1)NC(=O)Nc1nnc(s1)C(c1ccccc1)C

STK022097
Synonyms: (2E)- 3- [5- (4- chlorophenyl)furan- 2- yl]- 2- cyano- N- {4- [(2,6- dimethylphenyl)sulfamoyl]phenyl}prop- 2- enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)Cl)/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1C

STK022102
Synonyms: 2- (4- chlorophenyl)- 5- (2- methylphenyl)- 1,3,4- thiadiazole
Smiles: Clc1ccc(cc1)c1nnc(s1)c1ccccc1C

STK022104
Synonyms: (4R)- 2- (6- methyl- 4- oxo- 4H- chromen- 3- yl)- 1,3- thiazolidine- 4- carboxylicacid
Smiles: Cc1cc2c(=O)c(C3N[C@@H](CS3)C(=O)O)coc2cc1

STK022122
Synonyms: {4- [(1,3- dimethyl- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]- 2- methoxyphenoxy}acetonitrile
Smiles: N#CCOc1ccc(cc1OC)C=C1C(=O)N(C)C(=O)N(C1=O)C

STK022128
Synonyms: N- (4- cyanophenyl)- N'- (4- propoxyphenyl)butanediamide
Smiles: CCCOc1ccc(cc1)NC(=O)CCC(=O)Nc1ccc(cc1)C#N

STK022192
Synonyms: 1- benzyl- N- (2,4- dichlorobenzyl)- 2- methyl- 1H- benzimidazol- 5- amine
Smiles: Clc1ccc(c(c1)Cl)CNc1ccc2c(c1)nc(n2Cc1ccccc1)C

STK022197
Synonyms: 5- bromo- 2- methoxy- N- [2- (3- methylphenyl)- 1,3- benzoxazol- 5- yl]benzamide
Smiles: COc1ccc(cc1C(=O)Nc1ccc2c(c1)nc(o2)c1cccc(c1)C)Br

STK022212
Synonyms: 6- chloro- N,2- dimethyl- 5- (prop- 2- en- 1- yl)pyrimidin- 4- amine
Smiles: C=CCc1c(Cl)nc(nc1NC)C

STK022224
Synonyms: 2- {[benzyl(2- hydroxyethyl)amino]methyl}phenol
Smiles: OCCN(Cc1ccccc1O)Cc1ccccc1

STK022227
Synonyms: 4- [tert- butyl(4- methylbenzyl)amino]- 4- oxobutanoicacid
Smiles: O=C(N(C(C)(C)C)Cc1ccc(cc1)C)CCC(=O)O

STK022233
Synonyms: N- (furan- 2- ylmethyl)- 6- methylhept- 5- en- 2- amine
Smiles: CC(NCc1ccco1)CCC=C(C)C

STK022238
Synonyms: 5- fluoro- 2- methyl- 1,3- benzoxazole
Smiles: Fc1ccc2c(c1)nc(o2)C

STK022242
Synonyms: methyl5- {[(5- bromonaphthalen- 1- yl)carbonyl]amino}- 4- cyano- 3- methylthiophene- 2- carboxylate
Smiles: COC(=O)c1sc(c(c1C)C#N)NC(=O)c1cccc2c1cccc2Br

STK022282
Synonyms: N- tert- butyl- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)- 3- phenylpropanamide
Smiles: O=c1ccccn1C(C(=O)c1ccccc1)C(=O)NC(C)(C)C

STK022283
Synonyms: 3- chloro- 6- [(2E)- 2- {[3- hydroxy- 5- (hydroxymethyl)- 2- methylpyridin- 4- yl]methylidene}hydrazinyl]pyridine- 2- carboxylicacid
Smiles: OCc1cnc(c(c1/C=N/Nc1ccc(c(n1)C(=O)O)Cl)O)C

STK022334
Synonyms: N- {5- ethyl- 4- [4- (phenylsulfanyl)phenyl]- 1,3- thiazol- 2- yl}- 8- methoxy- 2- oxo- 2H- chromene- 3- carboxamide
Smiles: CCc1sc(nc1c1ccc(cc1)Sc1ccccc1)NC(=O)c1cc2cccc(c2oc1=O)OC

STK022339
Synonyms: 4- [(2- hydroxybenzyl)oxy]benzaldehyde
Smiles: O=Cc1ccc(cc1)OCc1ccccc1O

STK022343
Synonyms: 1- [2- (5- chloro- 2- oxopyridin- 1(2H)- yl)- 3- oxo- 3- phenylpropanoyl]- N- (2- hydroxyethyl)piperidine- 4- carboxamide
Smiles: OCCNC(=O)C1CCN(CC1)C(=O)C(n1cc(Cl)ccc1=O)C(=O)c1ccccc1

STK022349
Synonyms: 2- [3- (acetylamino)phenoxy]- N- (2,3- dichlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1Cl)Cl)COc1cccc(c1)NC(=O)C

STK022380
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- cyclohexylphenoxy)ethoxy]- 5- ethoxybenzylidene}- 5- imino- 3- phenyl- 5,6- dihydro- 7H- [1,3]thiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)C1CCCCC1)Cl)/C=C/1\C(=O)N=c2n(C1=N)c(cs2)c1ccccc1

STK022389
Synonyms: N- (4- ethoxyphenyl)- 4- hydroxy- 2- oxo- 1- propyl- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCOc1ccc(cc1)NC(=O)c1c(O)c2ccccc2n(c1=O)CCC

STK022419
Synonyms: [1- (2,5- dimethoxybenzyl)piperidin- 4- yl](4- methylpiperidin- 1- yl)methanone
Smiles: COc1ccc(cc1CN1CCC(CC1)C(=O)N1CCC(CC1)C)OC

STK022424
Synonyms: 3- (2- chlorophenyl)- 5- cyclohexyl- 1,2,4- oxadiazole
Smiles: Clc1ccccc1c1noc(n1)C1CCCCC1

STK022450
Synonyms: 2- [methyl(propan- 2- yl)amino]ethyl(3- methylphenoxy)acetate
Smiles: O=C(COc1cccc(c1)C)OCCN(C(C)C)C

STK022464
Synonyms: 1- (4- methylphenyl)- 3- [5- (1- phenoxyethyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: O=C(Nc1nnc(s1)C(Oc1ccccc1)C)Nc1ccc(cc1)C

STK022497
Synonyms: 3- [(3- bromophenyl)amino]- 3- phenyl- 2- benzofuran- 1(3H)- one
Smiles: Brc1cccc(c1)NC1(OC(=O)c2c1cccc2)c1ccccc1

STK022510
Synonyms: ethyl3- oxo- 7- phenyl- 5- [2- (propan- 2- yloxy)phenyl]- 2,3- dihydro- 5H- [1,3]thiazolo[3,2- a]pyrimidine- 6- carboxylate
Smiles: CCOC(=O)C1=C(N=C2N(C1c1ccccc1OC(C)C)C(=O)CS2)c1ccccc1

STK022537
Synonyms: 1,1,1- trifluoro- 3- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]propan- 2- one
Smiles: O=C(C(F)(F)F)CSc1nncn1C

STK022547
Synonyms: 2- [(6- methylimidazo[2,1- b][1,3,4]thiadiazol- 2- yl)amino]ethanol
Smiles: Cc1cn2c(n1)sc(n2)NCCO

STK022556
Synonyms: 3- (4- fluorophenyl)- N- (2- methoxyethyl)- 3- oxo- 2- (2- oxopyridin- 1(2H)- yl)propanamide
Smiles: COCCNC(=O)C(n1ccccc1=O)C(=O)c1ccc(cc1)F

STK022557
Synonyms: (3E)- 3- {4- [(4- bromobenzyl)oxy]- 3- methoxybenzylidene}- 5- (4- fluorophenyl)furan- 2(3H)- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)Br)/C=C/1\C=C(OC1=O)c1ccc(cc1)F

STK022561
Synonyms: N- (5- bromopyridin- 2- yl)formamide
Smiles: O=CNc1ccc(cn1)Br

STK022572
Synonyms: 2,4- dichloro- N- {2- [4- (4- methoxyphenyl)- 5- sulfanyl- 4H- 1,2,4- triazol- 3- yl]ethyl}benzamide
Smiles: COc1ccc(cc1)n1c(CCNC(=O)c2ccc(cc2Cl)Cl)nnc1S

STK022611
Synonyms: N- (4- fluorophenyl)- 4- (pyridin- 2- yl)piperazine- 1- carbothioamide
Smiles: Fc1ccc(cc1)NC(=S)N1CCN(CC1)c1ccccn1

STK022619
Synonyms: 2- [(E)- (3,5- dimethylphenyl)diazenyl]- 4- ethylphenol
Smiles: CCc1ccc(c(c1)/N=N/c1cc(C)cc(c1)C)O

STK022624
Synonyms: 1- (5- tert- butyl- 1,3,4- thiadiazol- 2- yl)- 3- (2- fluorophenyl)urea
Smiles: O=C(Nc1ccccc1F)Nc1nnc(s1)C(C)(C)C

STK022628
Synonyms: 3- [(naphthalen- 2- ylcarbonyl)amino]benzoicacid
Smiles: O=C(c1ccc2c(c1)cccc2)Nc1cccc(c1)C(=O)O

STK022642
Synonyms: 2,3,4,5,6- pentafluoro- N'- [(3- fluorophenyl)carbonyl]benzohydrazide
Smiles: Fc1cccc(c1)C(=O)NNC(=O)c1c(F)c(F)c(c(c1F)F)F

STK022658
Synonyms: 2- bromo- 4- tert- butyl- 6- [(E)- (4- ethoxyphenyl)diazenyl]phenol
Smiles: CCOc1ccc(cc1)/N=N/c1cc(cc(c1O)Br)C(C)(C)C

STK022663
Synonyms: 17- (2- bromophenyl)- 1- (1- hydroxyethyl)- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaene- 16,18- dione(non- preferredname)
Smiles: Brc1ccccc1N1C(=O)C2C(C1=O)C1(C(O)C)c3c(C2c2c1cccc2)cccc3

STK022686
Synonyms: 2- [(E)- 2- (4- butoxyphenyl)ethenyl]- 6- pentyl- 5,6,7,8- tetrahydroquinoline
Smiles: CCCCCC1CCc2c(C1)ccc(n2)/C=C/c1ccc(cc1)OCCCC

STK022745
Synonyms: 3- benzyl- 2- thioxo- 1,3- thiazolidin- 4- one- (2E)- 3- methyl- 2- (prop- 2- en- 1- ylidene)- 1,3- thiazolidine(1:1)
Smiles: O=C1CSC(=S)N1Cc1ccccc1.C=C/C=C\1/SCCN1C

STK022762
Synonyms: (4Z)- 4- {4- [2- (2- chlorophenoxy)ethoxy]- 3- ethoxybenzylidene}- 2- phenyl- 1,3- oxazol- 5(4H)- one
Smiles: CCOc1cc(ccc1OCCOc1ccccc1Cl)/C=C/1\N=C(OC1=O)c1ccccc1

STK022777
Synonyms: 3- bromo- N- {[4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]carbamothioyl}- 4- methoxybenzamide
Smiles: COc1ccc(cc1Br)C(=O)NC(=S)Nc1scc(n1)c1ccc(cc1)Cl

STK022784
Synonyms: N- {[4- (dimethylamino)phenyl](diphenylphosphoryl)methyl}- 1,3,5- triazatricyclo[3.3.1.1~3,7~]decan- 7- amine
Smiles: CN(c1ccc(cc1)C(P(=O)(c1ccccc1)c1ccccc1)NC12CN3CN(C2)CN(C1)C3)C

STK022805
Synonyms: 2- ethynyl- 5,5,6- trimethylbicyclo[2.2.1]heptan- 2- ol
Smiles: C#CC1(O)CC2CC1C(C2(C)C)C

STK022821
Synonyms: 4- ({2- [(2,4- dichlorophenoxy)methyl]- 1H- benzimidazol- 1- yl}sulfonyl)- 2,1,3- benzothiadiazole
Smiles: Clc1ccc(c(c1)Cl)OCc1nc2c(n1S(=O)(=O)c1cccc3c1nsn3)cccc2

STK022824
Synonyms: N- [2- (3- bromo- 4- hydroxyphenyl)- 1,3- benzoxazol- 5- yl]- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1ccc2c(c1)nc(o2)c1ccc(c(c1)Br)O

STK022825
Synonyms: 2- {2- oxo- 5- [(propan- 2- yloxy)methyl]tetrahydrofuran- 3- yl}- N- (1,3,4- thiadiazol- 2- yl)acetamide(non- preferredname)
Smiles: CC(OCC1CC(C(=O)O1)CC(=O)Nc1scnn1)C

STK022829
Synonyms: N'- [2- (methylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]- 2- phenoxyacetohydrazide
Smiles: CSc1nc(NNC(=O)COc2ccccc2)c2c(n1)sc1c2CCCC1

STK022881
Synonyms: 2- (2- imino- 4- oxo- 1,3- thiazolidin- 5- yl)- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: CC(c1ccc(cc1)NC(=O)CC1SC(=N)NC1=O)C

STK022888
Synonyms: 2- (2- imino- 4- oxo- 1,3- thiazolidin- 5- yl)- N- {4- [(E)- phenyldiazenyl]phenyl}acetamide
Smiles: O=C(Nc1ccc(cc1)/N=N/c1ccccc1)CC1SC(=N)NC1=O

STK022892
Synonyms: N- (2- chlorobenzyl)- 1- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- yl]piperidine- 4- carboxamide
Smiles: C/C(=C\c1ccccc1)/CN1CCC(CC1)C(=O)NCc1ccccc1Cl

STK022898
Synonyms: N- [(benzyloxy)carbonyl]- N- methylleucine
Smiles: CC(CC(N(C(=O)OCc1ccccc1)C)C(=O)O)C

STK022899
Synonyms: 5,5'- (iminodiethane- 2,1- diyl)bis(1,3,4- thiadiazol- 2- amine)
Smiles: Nc1nnc(s1)CCNCCc1nnc(s1)N

STK022909
Synonyms: ethyl2- [(8- methoxy- 2- methylquinolin- 4- yl)amino]benzoate
Smiles: CCOC(=O)c1ccccc1Nc1cc(C)nc2c1cccc2OC

STK022911
Synonyms: 1- {(E)- amino[(4- methylquinazolin- 2- yl)amino]methylidene}- 3- phenylurea
Smiles: N/C(=N\C(=O)Nc1ccccc1)/Nc1nc(C)c2c(n1)cccc2

STK022922
Synonyms: 2- (dimethylamino)ethyl3,4,5- trimethoxybenzoate
Smiles: COc1cc(cc(c1OC)OC)C(=O)OCCN(C)C

STK022925
Synonyms: 1- [(2E)- 2- methyl- 3- phenylprop- 2- en- 1- yl]- N- (prop- 2- en- 1- yl)piperidine- 4- carboxamide
Smiles: C=CCNC(=O)C1CCN(CC1)C/C(=C/c1ccccc1)/C

STK022931
Synonyms: N- (3- chloropyridin- 2- yl)- 3,4- dimethoxybenzamide
Smiles: COc1cc(ccc1OC)C(=O)Nc1ncccc1Cl

STK022954
Synonyms: (4Z)- 4- [2- (5- chloro- 2- methylphenyl)hydrazinylidene]- 3- methyl- 5- oxo- 4,5- dihydro- 1H- pyrazole- 1- carbothioamide
Smiles: Clc1ccc(c(c1)N/N=C\1/C(=NN(C1=O)C(=S)N)C)C

STK022960
Synonyms: N- (4,6- dimethylpyridin- 2- yl)- 1- hexyl- 4- hydroxy- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: CCCCCCn1c(=O)c(C(=O)Nc2cc(C)cc(n2)C)c(c2c1cccc2)O

STK022984
Synonyms: N- [1,3- benzodioxol- 5- yl(diphenylphosphoryl)methyl]- 1,3,5- triazatricyclo[3.3.1.1~3,7~]decan- 7- amine
Smiles: O=P(C(c1ccc2c(c1)OCO2)NC12CN3CN(C2)CN(C1)C3)(c1ccccc1)c1ccccc1

STK022989
Synonyms: 2,3- dichloro- N- (4,6- dimethylpyrimidin- 2- yl)benzamide
Smiles: Cc1cc(C)nc(n1)NC(=O)c1cccc(c1Cl)Cl

STK023003
Synonyms: 2- (4- chloro- 3,5- dimethylphenoxy)- N- [(2- hydroxy- 3,5- dimethylphenyl)carbamothioyl]acetamide
Smiles: O=C(NC(=S)Nc1cc(C)cc(c1O)C)COc1cc(C)c(c(c1)C)Cl

STK023032
Synonyms: 6- (3- nitrophenyl)benzo[a]phenazin- 5- ol
Smiles: Oc1c(c2cccc(c2)[N+](=O)[O-])c2nc3ccccc3nc2c2c1cccc2

STK023034
Synonyms: 1- azabicyclo[2.2.2]oct- 3- yl(2- methylphenoxy)acetate
Smiles: O=C(OC1CN2CCC1CC2)COc1ccccc1C

STK023054
Synonyms: benzyl(1- {[2- ({4- bromo- 2- [(2- chlorophenyl)carbonyl]phenyl}amino)- 2- oxoethyl]amino}- 1- oxo- 2- phenylpropan- 2- yl)carbamate
Smiles: Brc1ccc(c(c1)C(=O)c1ccccc1Cl)NC(=O)CNC(=O)C(c1ccccc1)(NC(=O)OCc1ccccc1)C

STK023122
Synonyms: (3Z)- 3- [(2- methyl- 3- nitrophenyl)imino]- 1,3- dihydro- 2H- indol- 2- one
Smiles: O=C1Nc2c(/C/1=N/c1cccc(c1C)[N+](=O)[O-])cccc2

STK023123
Synonyms: amino(oxo)- N- [(1E)- 2- (4,4,5,5- tetramethyl- 1,3- dioxolan- 2- ylidene)ethylidene]methanaminium
Smiles: NC(=O)/[NH+]=C/C=C1OC(C(O1)(C)C)(C)C

STK023160
Synonyms: N,N'- {benzene- 1,4- diylbis[(E)methylylidenenitrilobenzene- 4,1- diylsulfonyl]}diacetamide
Smiles: CC(=O)NS(=O)(=O)c1ccc(cc1)/N=C/c1ccc(cc1)/C=N/c1ccc(cc1)S(=O)(=O)NC(=O)C

STK023215
Synonyms: 6- amino- 1- benzyl- 4- (2,4- dichlorophenyl)- 3- methyl- 1,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1Cl)Cl)c(C)nn2Cc1ccccc1

STK023275
Synonyms: (5Z)- 5- {3- bromo- 5- ethoxy- 4- [2- (3- methoxyphenoxy)ethoxy]benzylidene}- 1- (4- chlorophenyl)pyrimidine- 2,4,6(1H,3H,5H)- trione
Smiles: CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Cl)cc(c1OCCOc1cccc(c1)OC)Br

STK023277
Synonyms: N- (2,3- dimethylphenyl)- 3- (4- methoxyphenyl)- 2- (1H- tetrazol- 5- yl)propanamide
Smiles: COc1ccc(cc1)CC(C(=O)Nc1cccc(c1C)C)c1nnn[nH]1

STK023315
Synonyms: 2- tert- butylthiophene
Smiles: CC(c1cccs1)(C)C

STK023325
Synonyms: 2- methyl- N- (7- methyl- 2- phenylimidazo[1,2- a]pyridin- 3- yl)propanamide
Smiles: O=C(C(C)C)Nc1c(nc2n1ccc(c2)C)c1ccccc1

STK023331
Synonyms: 8- benzyl- 6- [2- (4- bromophenyl)- 2- oxoethoxy]- 3,3- dimethyl- 3,4- dihydro- 1H- pyrano[3,4- c]pyridine- 5- carbonitrile
Smiles: N#Cc1c(OCC(=O)c2ccc(cc2)Br)nc(c2c1CC(C)(C)OC2)Cc1ccccc1

STK023347
Synonyms: 2- {(1E)- N- [N- (6- methoxy- 4- methylquinazolin- 2- yl)carbamimidoyl]ethanimidoyl}benzoicacid
Smiles: COc1ccc2c(c1)c(C)nc(n2)NC(=N)/N=C(/c1ccccc1C(=O)O)\C

STK023359
Synonyms: 4- (4- chloro- 2- methylphenoxy)- N- {4- [(4- methylpiperidin- 1- yl)sulfonyl]phenyl}butanamide
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)CCCOc1ccc(cc1C)Cl

STK023447
Synonyms: N'- [(E)- (4- bromothiophen- 2- yl)methylidene]- 3- methyl- 1H- pyrazole- 5- carbohydrazide
Smiles: Brc1csc(c1)/C=N/NC(=O)c1[nH]nc(c1)C

STK023459
Synonyms: 2- (thiophen- 2- yl)- 4H- [1,2,4]triazolo[1,5- a]benzimidazole
Smiles: c1csc(c1)c1nn2c(n1)[nH]c1c2cccc1

STK023479
Synonyms: 5- {[(5- chloropyridin- 2- yl)amino]acetyl}- 3- ethyl- 5- methyldihydrofuran- 2(3H)- one(non- preferredname)
Smiles: CCC1CC(OC1=O)(C)C(=O)CNc1ccc(cn1)Cl

STK023483
Synonyms: 1- benzyl- N- (4- phenylbutan- 2- yl)- 1H- indole- 2- carboxamide
Smiles: CC(NC(=O)c1cc2c(n1Cc1ccccc1)cccc2)CCc1ccccc1

STK023492
Synonyms: N- [4- (2- cyclohexylethoxy)phenyl]- 4- {2- [(1,3- diphenyl- 1H- pyrazol- 4- yl)carbonyl]hydrazinyl}- 4- oxobutanamide
Smiles: O=C(Nc1ccc(cc1)OCCC1CCCCC1)CCC(=O)NNC(=O)c1cn(nc1c1ccccc1)c1ccccc1

STK023495
Synonyms: N- {4- [5- (furan- 2- yl)- 1,2,4- oxadiazol- 3- yl]phenyl}furan- 2- carboxamide
Smiles: O=C(c1ccco1)Nc1ccc(cc1)c1noc(n1)c1ccco1

STK023497
Synonyms: 2- amino- 4- (4- chloro- 1,3- benzodioxol- 5- yl)- 5- oxo- 4H,5H- pyrano[3,2- c]chromene- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccc3c(c1Cl)OCO3)c(=O)oc1c2cccc1

STK023500
Synonyms: 6- methyl- 4- (2- nitrophenyl)- 3,4- dihydroquinolin- 2(1H)- one
Smiles: O=C1Nc2ccc(cc2C(C1)c1ccccc1[N+](=O)[O-])C

STK023534
Synonyms: ethyl(2- {[(4- methyl- 3- nitrophenyl)carbonyl]amino}- 1,3- thiazol- 4- yl)acetate
Smiles: CCOC(=O)Cc1csc(n1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])C

STK023538
Synonyms: N- [4- (2- cyclohexylethoxy)phenyl]- N'- (3- nitrophenyl)butanediamide
Smiles: O=C(Nc1ccc(cc1)OCCC1CCCCC1)CCC(=O)Nc1cccc(c1)[N+](=O)[O-]

STK023541
Synonyms: 2- (2,4- dichlorophenoxy)- N- {4- [(4- fluorophenyl)sulfamoyl]phenyl}acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)F)COc1ccc(cc1Cl)Cl

STK023569
Synonyms: 5,7- dibromo- 8- (2,4- dinitrophenoxy)quinoline
Smiles: [O-][N+](=O)c1cc(ccc1Oc1c(Br)cc(c2c1nccc2)Br)[N+](=O)[O-]

STK023574
Synonyms: N- {5- [(3- acetyl- 2,4,6- trimethylbenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1nnc(s1)SCc1c(C)cc(c(c1C)C(=O)C)C

STK023576
Synonyms: 3- hydroxy- N- methylnaphthalene- 2- carboxamide- 2- (iminomethyl)- 4- nitrophenol(1:1)
Smiles: CNC(=O)c1cc2ccccc2cc1O.N=Cc1cc(ccc1O)[N+](=O)[O-]

STK023585
Synonyms: 2,7- bis(4- hydroxyphenyl)benzo[lmn][3,8]phenanthroline- 1,3,6,8(2H,7H)- tetrone
Smiles: Oc1ccc(cc1)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)c1ccc(cc1)O

STK023595
Synonyms: N- {4- bromo- 2- [(2- chlorophenyl)carbonyl]phenyl}- N~2~- carbamoylglycinamide
Smiles: NC(=O)NCC(=O)Nc1ccc(cc1C(=O)c1ccccc1Cl)Br

STK023616
Synonyms: 1- (2,4- dichlorophenyl)- 3- [5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2- yl]urea
Smiles: COc1cc(ccc1OC)c1nnc(s1)NC(=O)Nc1ccc(cc1Cl)Cl

STK023636
Synonyms: N- (5,5- dimethyl- 7- oxo- 4,5,6,7- tetrahydro- 1,3- benzothiazol- 2- yl)- 2- [(4- methyl- 6- oxo- 1,6- dihydropyrimidin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1nc2c(s1)C(=O)CC(C2)(C)C)CSc1nc(C)cc(=O)[nH]1

STK023665
Synonyms: 2- (5- methyl- 1,3,4- thiadiazol- 2- yl)- 1H- indole
Smiles: Cc1nnc(s1)c1cc2c([nH]1)cccc2

STK023697
Synonyms: N- cyclohexyl- 2- methyl- 2,3- dihydro- 1- benzofuran- 5- carboxamide
Smiles: CC1Oc2c(C1)cc(cc2)C(=O)NC1CCCCC1

STK023712
Synonyms: 2,2,3,3- tetrafluoropropyl4- [(2,6- dimethoxypyrimidin- 4- yl)amino]- 4- oxobutanoate
Smiles: COc1cc(NC(=O)CCC(=O)OCC(C(F)F)(F)F)nc(n1)OC

STK023720
Synonyms: 4- bromo- 2,2,4,6,6- pentanitroheptane
Smiles: BrC([N+](=O)[O-])(CC([N+](=O)[O-])([N+](=O)[O-])C)CC([N+](=O)[O-])([N+](=O)[O-])C

STK023730
Synonyms: (4E)- 4- {[5- (2- methyl- 4- nitrophenyl)furan- 2- yl]methylidene}- 1- phenylpyrazolidine- 3,5- dione
Smiles: O=C1NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-])c1ccccc1

STK023740
Synonyms: 8- azido- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: [N-]=[N+]=Nc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

STK023745
Synonyms: N- (2- chlorobenzyl)- N- ethylethanamine
Smiles: CCN(Cc1ccccc1Cl)CC

STK023756
Synonyms: dipropan- 2- yl2,2'- [(1s,5s)- 3,7- dimethyl- 3,7- diazabicyclo[3.3.1]nonane- 1,5- diyl]diacetate
Smiles: CC(OC(=O)C[C@]12CN(C)C[C@@](C2)(CN(C1)C)CC(=O)OC(C)C)C

STK023787
Synonyms: N- {(2Z)- 3- [4- (4- ethylphenyl)- 1,3- thiazol- 2- yl]- 6- methoxy- 2H- chromen- 2- ylidene}pyridin- 2- amine
Smiles: CCc1ccc(cc1)c1csc(n1)c1cc2cc(OC)ccc2o/c/1=N\c1ccccn1

STK023827
Synonyms: 2- (4- bromo- 3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- [(3- nitro- 1H- pyrazol- 1- yl)acetyl]acetohydrazide
Smiles: O=C(Cn1ccc(n1)[N+](=O)[O-])NNC(=O)Cn1nc(c(c1C)Br)C

STK023830
Synonyms: N- (4- nitrophenyl)- N'- (4- phenylbutan- 2- yl)butanediamide
Smiles: CC(NC(=O)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])CCc1ccccc1

STK023833
Synonyms: 3,5- dichloro- 2,4,6- tri(2lambda~5~- triaz- 1- en- 2- yn- 1- yl)pyridine
Smiles: N#N=Nc1nc(N=N#N)c(c(c1Cl)N=N#N)Cl

STK023839
Synonyms: 4- methoxy- 3- nitro- N- [(pyridin- 3- ylmethyl)carbamothioyl]benzamide
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)NCc1cccnc1

STK023848
Synonyms: N- (1- acetyl- 2- methyl- 1,2,3,4- tetrahydroquinolin- 4- yl)- N- phenylacetamide
Smiles: CC(=O)N(C1CC(C)N(c2c1cccc2)C(=O)C)c1ccccc1

STK023874
Synonyms: (2Z,5Z)- 3- cyclohexyl- 5- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (phenylimino)- 1,3- thiazolidin- 4- one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\S/C(=N\c2ccccc2)/N(C1=O)C1CCCCC1

STK023896
Synonyms: 2- (4- chlorophenyl)- N- [(2,5- dimethoxyphenyl)carbamothioyl]acetamide
Smiles: COc1ccc(cc1NC(=S)NC(=O)Cc1ccc(cc1)Cl)OC

STK023901
Synonyms: 4- (1H- tetrazol- 1- yl)- N- (1,3- thiazol- 2- yl)benzenesulfonamide
Smiles: O=S(=O)(c1ccc(cc1)n1cnnn1)Nc1nccs1

STK023914
Synonyms: 1,3,5,7,2,4,6,8- tetrazatetraphosphocane- 2,4,6,8- tetrol2,4,6,8- tetraoxide
Smiles: OP1(=O)NP(=O)(O)NP(=O)(NP(=O)(N1)O)O

STK023924
Synonyms: 1- [4- (benzyloxy)- 3- methoxybenzyl]- 4- phenylpiperazine
Smiles: COc1cc(ccc1OCc1ccccc1)CN1CCN(CC1)c1ccccc1

STK023958
Synonyms: (4- chloro- 1H- pyrazol- 1- yl)(2- methylphenyl)methanone
Smiles: Clc1cnn(c1)C(=O)c1ccccc1C

STK023964
Synonyms: N'- [(E)- (3,5- dichloro- 2- hydroxyphenyl)methylidene]- 2- iodobenzohydrazide
Smiles: Clc1cc(/C=N/NC(=O)c2ccccc2I)c(c(c1)Cl)O

STK023965
Synonyms: 3- {[(5- methyl- 4H- pyrazol- 3- yl)sulfanyl]methyl}- 8- oxo- 7- [(1H- tetrazol- 1- ylacetyl)amino]- 5- thia- 1- azabicyclo[4.2.0]oct- 2- ene- 2- carboxylate
Smiles: O=C(NC1C(=O)N2C1SCC(=C2C(=O)[O-])CSC1=NN=C(C1)C)Cn1cnnn1

STK023980
Synonyms: (2E)- 2- (9- methyldec- 8- en- 2- ylidene)hydrazinecarboxamide
Smiles: NC(=O)N/N=C(/CCCCCC=C(C)C)\C

STK024018
Synonyms: 4- [(2,6- dinitropyridin- 3- yl)amino]benzoicacid
Smiles: OC(=O)c1ccc(cc1)Nc1ccc(nc1[N+](=O)[O-])[N+](=O)[O-]

STK024034
Synonyms: N- {4- [2- (2- butanoylhydrazinyl)- 1,3- thiazol- 4- yl]phenyl}butanamide
Smiles: CCCC(=O)NNc1scc(n1)c1ccc(cc1)NC(=O)CCC

STK024035
Synonyms: 3- (2- chlorophenyl)- N'- [(1E)- 1- (4- methylphenyl)ethylidene]- 1H- pyrazole- 5- carbohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)c1[nH]nc(c1)c1ccccc1Cl)/C

STK024075
Synonyms: (1R,5S)- 7- [(3- hydroxy- 2- phenylpropanoyl)oxy]- 9,9- dimethyl- 3- oxa- 9- azoniatricyclo[3.3.1.0~2,4~]nonane
Smiles: OCC(c1ccccc1)C(=O)OC1C[C@@H]2C3C([C@H](C1)[N+]2(C)C)O3

STK024080
Synonyms: 3,4- dichloro- N- (1- phenylethyl)benzenesulfonamide
Smiles: CC(c1ccccc1)NS(=O)(=O)c1ccc(c(c1)Cl)Cl

STK024097
Synonyms: N,N'- bis[(E)- naphthalen- 2- ylmethylidene]- 2- nitrobenzene- 1,4- diamine
Smiles: [O-][N+](=O)c1cc(/N=C/c2ccc3c(c2)cccc3)ccc1/N=C/c1ccc2c(c1)cccc2

STK024120
Synonyms: (2Z)- N- [4- (4- chlorophenyl)- 1,3- thiazol- 2- yl]- 8- methoxy- 2- [(4- methylphenyl)imino]- 2H- chromene- 3- carboxamide
Smiles: COc1cccc2c1o/c(=N\c1ccc(cc1)C)/c(c2)C(=O)Nc1scc(n1)c1ccc(cc1)Cl

STK024124
Synonyms: N- {(E)- amino[(6- methoxy- 4- methylquinazolin- 2- yl)amino]methylidene}- 4- nitrobenzamide
Smiles: COc1ccc2c(c1)c(C)nc(n2)N/C(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/N

STK024152
Synonyms: N- [4- ({[(4- chlorophenyl)sulfanyl]acetyl}amino)phenyl]thiophene- 2- carboxamide
Smiles: O=C(Nc1ccc(cc1)NC(=O)c1cccs1)CSc1ccc(cc1)Cl

STK024156
Synonyms: (2Z)- 2- (4- cyclopropyl- 1,3- thiazol- 2- yl)- 3- (4- methoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1ccc(cc1)OC)/c1scc(n1)C1CC1

STK024159
Synonyms: 4- [(4- {(E)- [1- (4- fluorophenyl)- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 2- methoxyphenoxy)methyl]benzoicacid
Smiles: COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)F

STK024175
Synonyms: (5S)- 3,5- dimethyl- 5- {4- [(5- methylhexyl)oxy]phenyl}imidazolidine- 2,4- dione
Smiles: CC(CCCCOc1ccc(cc1)[C@]1(C)NC(=O)N(C1=O)C)C

STK024189
Synonyms: 2- methyl- N- [3- ({[(4- nitrophenoxy)acetyl]carbamothioyl}amino)phenyl]propanamide
Smiles: O=C(NC(=S)Nc1cccc(c1)NC(=O)C(C)C)COc1ccc(cc1)[N+](=O)[O-]

STK024213
Synonyms: ethyl1- (2- cyclopropylethyl)- 5,6,7,8- tetrafluoro- 4- oxo- 1,4- dihydroquinoline- 3- carboxylate
Smiles: CCOC(=O)c1cn(CCC2CC2)c2c(c1=O)c(F)c(c(c2F)F)F

STK024222
Synonyms: 4,4- dimethyl- 8- nitro- 4,5- dihydro- 1H- [1,2]dithiolo[3,4- c]quinoline- 1- thione
Smiles: S=c1ssc2c1c1cc(ccc1NC2(C)C)[N+](=O)[O-]

STK024233
Synonyms: N- {(2Z)- 6,8- dichloro- 3- [4- (4- methoxyphenyl)- 1,3- thiazol- 2- yl]- 2H- chromen- 2- ylidene}- 1,3- thiazol- 2- amine
Smiles: COc1ccc(cc1)c1csc(n1)c1cc2cc(Cl)cc(c2o/c/1=N\c1nccs1)Cl

STK024234
Synonyms: N- benzyl- 2- [(2,5- dimethoxyphenyl)amino]- 4- oxo- 5,6- dihydro- 4H- 1,3- thiazine- 6- carboxamide
Smiles: COc1ccc(c(c1)NC1=NC(=O)CC(S1)C(=O)NCc1ccccc1)OC

STK024244
Synonyms: N- (acridin- 9- yl)- 5- chloro- 2- hydroxybenzamide
Smiles: Clc1ccc(c(c1)C(=O)Nc1c2ccccc2nc2c1cccc2)O

STK024246
Synonyms: N'- [(4- methoxyphenyl)sulfonyl]pyridine- 4- carbohydrazide
Smiles: COc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccncc1

STK024251
Synonyms: 4- (4- hydroxy- 2,8- dimethylquinolin- 3- yl)butan- 2- one
Smiles: CC(=O)CCc1c(C)nc2c(c1O)cccc2C

STK024262
Synonyms: 4- {[(2E)- 3- {3- bromo- 5- ethoxy- 4- [(3- methylbenzyl)oxy]phenyl}- 2- cyanoprop- 2- enoyl]amino}benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc(cc2)C(=O)O)\C#N)cc(c1OCc1cccc(c1)C)Br

STK024269
Synonyms: (2E)- 3- {3- chloro- 5- methoxy- 4- [2- (4- methoxyphenoxy)ethoxy]phenyl}- 2- cyano- N- phenylprop- 2- enamide
Smiles: COc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)/C=C(/C(=O)Nc1ccccc1)\C#N

STK024271
Synonyms: (2E)- N- (1- methoxypropan- 2- yl)- 2- methyl- 3- phenylprop- 2- enamide
Smiles: COCC(NC(=O)/C(=C/c1ccccc1)/C)C

STK024316
Synonyms: 3- (2,4- dioxo- 3,4- dihydropyrimidin- 1(2H)- yl)- 2- hydroxypropanoicacid
Smiles: OC(=O)C(Cn1ccc(=O)[nH]c1=O)O

STK024334
Synonyms: 1,1',1''- ethane- 1,1,1- triyltris(4- nitrobenzene)
Smiles: CC(c1ccc(cc1)[N+](=O)[O-])(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]

STK024344
Synonyms: 2- methylquinolin- 4(1H)- one
Smiles: Cc1cc(=O)c2c([nH]1)cccc2

STK024356
Synonyms: 2- (2,4- dichlorophenoxy)- N- (1,2- dihydroacenaphthylen- 5- yl)acetamide
Smiles: O=C(Nc1ccc2c3c1cccc3CC2)COc1ccc(cc1Cl)Cl

STK024362
Synonyms: 2- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}- 3- phenyl- 2,3,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: O=C(N1CCOCC1)CSC1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3

STK024375
Synonyms: 1- (3,4- dichlorophenyl)- 3- {[4- (trifluoromethoxy)phenyl]amino}pyrrolidine- 2,5- dione
Smiles: O=C1CC(C(=O)N1c1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)OC(F)(F)F

STK024377
Synonyms: methyl{2- chloro- 6- methoxy- 4- [(E)- (1- methyl- 4,6- dioxo- 2- thioxotetrahydropyrimidin- 5(2H)- ylidene)methyl]phenoxy}acetate
Smiles: COC(=O)COc1c(Cl)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)C

STK024408
Synonyms: 2- (4- methylphenoxy)- N- (pyridin- 3- yl)acetamide
Smiles: O=C(Nc1cccnc1)COc1ccc(cc1)C

STK024414
Synonyms: 4- [(2- amino- 2- oxoethyl)amino]- 4- oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCC(=O)N

STK024423
Synonyms: 6- bromo- 2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)quinoline- 4- carboxylicacid
Smiles: Brc1ccc2c(c1)c(cc(n2)c1ccc2c(c1)OCCO2)C(=O)O

STK024435
Synonyms: 2- {4- [(3- chloro- 2- methylphenyl)amino]- 4- oxobutanoyl}- N- phenylhydrazinecarboxamide
Smiles: O=C(NNC(=O)Nc1ccccc1)CCC(=O)Nc1cccc(c1C)Cl