AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-8

SMILES stringlengths 2 1.09k	IUPAC stringlengths 6 2.22k
CC(=O)OCOC(=O)NC(C)=NCc1cc(C2=C(C(=O)OCOC(=O)C(C)(C)C)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)cs1	2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[5-[[1-(acetyloxymethoxycarbonylamino)ethylideneamino]methyl]thiophen-3-yl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CC.CC(C)(C)c1cc(C(N)=O)n[nH]1.[NH3+]C1CCC1	5-tert-butyl-1H-pyrazole-3-carboxamide;cyclobutylazanium;ethane
CC.CO.O=CC1(N(CC(=O)N2CCCC2)S(=O)C2=CC=C(c3ccc(Cl)cc3)C=CC2)CC1/C1=C/C/C=C\C=CC1	4-(4-chlorophenyl)-N-[2-[(1E,4Z)-cycloocta-1,4,6-trien-1-yl]-1-formylcyclopropyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohepta-1,3,5-triene-1-sulfinamide;ethane;methanol
N=C(N)N(CCNC(=O)Cc1ccccc1)C(=O)c1nc(Cl)c(N)nc1N	3,5-diamino-N-carbamimidoyl-6-chloro-N-[2-[(2-phenylacetyl)amino]ethyl]pyrazine-2-carboxamide
CC(Br)CN(C)S(=O)(=O)c1cccc2cnccc12	N-(2-bromopropyl)-N-methylisoquinoline-5-sulfonamide
Cc1cc(CN2CC(CN)CC2=O)n(C)n1	4-(aminomethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one
COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(=O)NC(C)C)c2ccc(F)cc2)cc1	2-[(3-chlorophenyl)methyl-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1O	3-(1-benzofuran-2-carbonyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one
CC(C)NC(=O)C(C)Nc1cncc(NN)n1	2-[(6-hydrazinylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide
CSc1ccc(C2=NCC(Cl)=N2)cc1	5-chloro-2-(4-methylsulfanylphenyl)-4H-imidazole
CCCCNC(=O)c1cc(OC)on1.CCCCNC(=O)c1noc(OC)c1C.CCN(C)CCCNC(=O)c1cc(OC)on1.CCN(C)CCCNC(=O)c1noc(OC)c1C.COc1cc(C(=O)NCCCN(C)C)no1.COc1onc(C(=O)NCCCN(C)C)c1C	N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide;N-butyl-5-methoxy-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)propyl]-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)propyl]-5-methoxy-1,2-oxazole-3-carboxamide;N-[3-[ethyl(methyl)amino]propyl]-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide;N-[3-[ethyl(methyl)amino]propyl]-5-methoxy-1,2-oxazole-3-carboxamide
CC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2ccccc2B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccc(C(C)(C)C)cc3)cc3c2B4c2ccccc2N3c2ccccc2-c2ccc(C(C)(C)C)cc2)cc1	15-N,25-N,12,18,28-pentakis[2-(4-tert-butylphenyl)phenyl]-15-N,25-N,22-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine
CN(C)C(=O)C(Cc1cc(F)cc(F)c1)NSNCc1ccccn1.NC=O.c1ccc2scnc2c1	1,3-benzothiazole;3-(3,5-difluorophenyl)-N,N-dimethyl-2-[(pyridin-2-ylmethylamino)sulfanylamino]propanamide;formamide
NC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccccc1Oc1ccc(F)cc1.[HH].[HH]	N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(4-fluorophenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
CNC(C)/C=C/c1cn(C)nc1C(C)(C)C	(E)-4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methylbut-3-en-2-amine
CCC1=C2[C@@H](CC/C(C)=C/c3cc(Br)ccc3O)OC[C@@H]2[C@@H]2C(=O)N(C(=O)OC)C(=O)[C@@H]2C1	methyl (3R,5aR,8aS,8bR)-3-[(E)-4-(5-bromo-2-hydroxyphenyl)-3-methylbut-3-enyl]-4-ethyl-6,8-dioxo-1,3,5,5a,8a,8b-hexahydrofuro[3,4-e]isoindole-7-carboxylate
COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCNCC2)CC(=O)O)nn1C1CCCC1	(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-piperazin-1-ylpentanoic acid
Cc1c(C(C)NC(=O)Cc2cccc(F)c2)cnn1C	N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-fluorophenyl)acetamide
O=C(NCC(c1cccc(Cl)c1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1	N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CCCN(C(C)C)C1CCCCCC1N	1-N-propan-2-yl-1-N-propylcycloheptane-1,2-diamine
CC1CCCC(N)(c2nc3cnccc3n2C2CC2)C1	1-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-3-methylcyclohexan-1-amine
CCOCCCNC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N(C)C	2-(dimethylamino)-N-(3-ethoxypropyl)-5-[(3-nitrobenzoyl)amino]benzamide
Cc1cc(-c2cc(OCCN[C@H](C)c3cccc4ccccc34)cc(C(=O)O)c2)cc(Cl)c1Cl	3-(3,4-dichloro-5-methylphenyl)-5-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethoxy]benzoic acid
NOP(=O)(CNS(=O)(=O)c1cccs1)Oc1cccc(Cl)c1	N-[[aminooxy-(3-chlorophenoxy)phosphoryl]methyl]thiophene-2-sulfonamide
COCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2.O=C(O)/C=C\C(=O)O	(Z)-but-2-enedioic acid;N-(2-methoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CC(=O)OCC12CCC3C(CC(O)C4(O)CC(O)CCC34C)C1CCC2C(C)CCCC(C)C	[3,5,6-trihydroxy-10-methyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-13-yl]methyl acetate
COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(F)F	4-(difluoromethoxy)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(OCC[N+](C)(C)C)C(=O)O	2-[carboxy-[3-[(Z)-icos-11-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium
Cc1cc2c(c(C(C)(C)C)c1)OS(=O)Oc1c(cc(C)cc1C(C)(C)C)S2	1,9-ditert-butyl-3,7-dimethylbenzo[d][1,3,2,6]benzodioxadithiocine 11-oxide
COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)c1cccs1	methyl (2R)-2-[[(2R)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate
CC(C)(C)OC(=O)CCC(CO)NC(=O)CCNC(=O)C12CC3OC(=O)C1N(Cc1ccc(C=CC(=O)OC4C(=O)OCC4(C)C)cc1)OC2C1OC(C2CC2)(C2CC2)OC31	tert-butyl 4-[3-[[4,4-dicyclopropyl-11-[[4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]phenyl]methyl]-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carbonyl]amino]propanoylamino]-5-hydroxypentanoate
CCn1cc(C(F)F)c(-c2cncc(Br)c2C)n1	3-bromo-5-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]-4-methylpyridine
O=Cc1cccc(-c2cccc(OCCN3CCCCC3)c2)c1	3-[3-(2-piperidin-1-ylethoxy)phenyl]benzaldehyde
C=C1c2c(CCCCCC=O)cccc2C(=O)N1C(C=O)CCC(=O)NC	N-methyl-4-[3-methylidene-1-oxo-4-(6-oxohexyl)isoindol-2-yl]-5-oxopentanamide
Cc1cc(S(=O)(=O)NCC2COCCO2)ccc1N	4-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbenzenesulfonamide
C/C=C\COc1ccc(-c2nn(S(C)(=O)=O)c3cc(Cl)c(OCC(=O)O)cc23)c(C)n1.C=C/C=C/Cl.CC.CCC	2-[3-[6-[(Z)-but-2-enoxy]-2-methylpyridin-3-yl]-6-chloro-1-methylsulfonylindazol-5-yl]oxyacetic acid;(1E)-1-chlorobuta-1,3-diene;ethane;propane
Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	(5S)-5-(4-tert-butylphenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Cc1ccccc1CNCC1CCC(O)CC1	4-[[(2-methylphenyl)methylamino]methyl]cyclohexan-1-ol
COc1cc(O)cc2ccc3cc(Oc4c(O)cc(OC)c5c4ccc4cc(O)ccc45)ccc3c12	1-(7-hydroxy-5-methoxyphenanthren-2-yl)oxy-4-methoxyphenanthrene-2,7-diol
[C-]#[N+]CC(COCc1ccccc1)NC(=O)OC(C)(C)C	tert-butyl N-(1-isocyano-3-phenylmethoxypropan-2-yl)carbamate
CN1CCC(Oc2ccccc2C=O)(C(F)(F)F)CC1	2-[1-methyl-4-(trifluoromethyl)piperidin-4-yl]oxybenzaldehyde
Cc1ccc(-n2cc(C(=O)OC(C)C(=O)NCC(F)(F)F)c(-c3ccccc3)n2)cc1	[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate
c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5ccccn45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c6ccccn56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c6ccccn56)cc4)cc3)cc2)cc1	N-[4-[4-(1,2-diphenylindolizin-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(1,2-diphenylindolizin-3-yl)phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N-[4-[4-(1,2-diphenylindolizin-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
N/C=C\C=C(/N)S	(1E,3Z)-1,4-diaminobuta-1,3-diene-1-thiol
CCCCCCCCCCCCC(C)Cc1c(CCCC)ccc(C(=O)O)c1CCCCCCCCCC	4-butyl-2-decyl-3-(2-methyltetradecyl)benzoic acid
O=C(CN1CCOC1=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1	3-[2-oxo-2-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CC(C)(CN)NC(=O)CCCc1ccc(Cl)c(Cl)c1	N-(1-amino-2-methylpropan-2-yl)-4-(3,4-dichlorophenyl)butanamide
C[C@H]1[C@@H](NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)CCC[C@@H]1C	2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
O=C(CCc1ccc(Cl)cc1)NCCNC(=O)c1ccccc1O	N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-hydroxybenzamide
Cc1ccc(C(NC(=O)COc2cccc3c2CCCC3)c2ccccc2)cc1	N-[(4-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
C[C@@H]1CCCN(C(=O)CCc2cc(Cl)cs2)[C@@H]1CN	1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
CCCCCn1c(=O)[nH]cc(N)c1=O	5-amino-3-pentyl-1H-pyrimidine-2,4-dione
C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(NC(=O)CSC(=S)N5[C@@H](C)CCC[C@@H]5C)cc4)cc3)cc2)cc1	[2-[4-[4-[4-[4-[[2-[(2R,6R)-2,6-dimethylpiperidine-1-carbothioyl]sulfanylacetyl]amino]phenyl]phenyl]sulfonylphenyl]anilino]-2-oxoethyl] (2S,6S)-2,6-dimethylpiperidine-1-carbodithioate
CCCNc1nc(Sc2ncco2)c2ccccc2n1	4-(1,3-oxazol-2-ylsulfanyl)-N-propylquinazolin-2-amine
CC(C)C1COCCN1c1ncc(C2(OC=O)CCC2)cc1Nc1ccc(Cl)cc1	[1-[5-(4-chloroanilino)-6-(3-propan-2-ylmorpholin-4-yl)pyridin-3-yl]cyclobutyl] formate
CC(CCc1ccccc1)NCc1c[nH]c2ccccc12	N-(1H-indol-3-ylmethyl)-4-phenylbutan-2-amine
Cn1cc(S(=O)(=O)NCCCNC(=O)c2ccccc2F)cc1C(N)=O	4-[3-[(2-fluorobenzoyl)amino]propylsulfamoyl]-1-methylpyrrole-2-carboxamide
CCc1ccc2nc(-c3ccc(C(C)C)cc3)[nH]c(=O)c2c1	6-ethyl-2-(4-propan-2-ylphenyl)-3H-quinazolin-4-one
CNC(c1cscc1Br)C1CSCCN1C	1-(4-bromothiophen-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CCOC(=O)C1=C(N[C@@H](COC)c2ccccc2)C(F)(F)CC1	ethyl 3,3-difluoro-2-[[(1R)-2-methoxy-1-phenylethyl]amino]cyclopentene-1-carboxylate
Cc1ccc(C(N)N)cc1.NC(=O)O	carbamic acid;(4-methylphenyl)methanediamine
CC#CCC(=O)Cc1ccc(F)cc1Cl	1-(2-chloro-4-fluorophenyl)hex-4-yn-2-one
Cc1nc2nn(C)cc2cc1-n1nc(-c2cccc3nn(C[C@H](OCF)c4ccccc4)cc23)c(C(C)C)c1C	5-[3-[2-[(2R)-2-(fluoromethoxy)-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-2,6-dimethylpyrazolo[3,4-b]pyridine
Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN2CCCCC12	(2S)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
C1CC1.Cc1cc(/C(=N\O)C2CC2)ncc1-c1cc2cnc(NC=O)cc2n2ccnc12	cyclopropane;N-[4-[6-[(Z)-C-cyclopropyl-N-hydroxycarbonimidoyl]-4-methylpyridin-3-yl]imidazo[1,2-a][1,6]naphthyridin-8-yl]formamide
CCCCC[C@H](O)C[C@@H]1CCCC(=O)O1	(6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one
COCC(C)COCc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)C3CN(C)C(=O)C(C2)N3C(=O)OC)cc1	methyl 6-[cyclopropyl-[(2,3-dichlorophenyl)methyl]carbamoyl]-7-[4-[(3-methoxy-2-methylpropoxy)methyl]phenyl]-3-methyl-2-oxo-3,9-diazabicyclo[3.3.1]non-6-ene-9-carboxylate
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](NS(=O)(=O)O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](NS(=O)(=O)[O-])C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[K+].[NH4+].[OH-]	azanium;potassium;N-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfamate;[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfamic acid;hydroxide
CC(=O)N/N=C1\C[C@H]2CC[C@]1(C)C2(C)C	N-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CNC(=O)c1nc(-c2cccnc2)nc2[nH]c(=O)[nH]c12	N-methyl-8-oxo-2-pyridin-3-yl-7,9-dihydropurine-6-carboxamide
Cc1cc(C)cc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1	N-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide
CN(CCc1ccccc1)c1nccc(/C=C2/C(=O)CC(=O)N2Cc2ccccc2)n1.O=C1CC(=O)N(Cc2ccccc2)/C1=C\c1ccnc(N2CCN(c3ccncc3)CC2)n1	(5Z)-1-benzyl-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-1-benzyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione
CCC(CC)(c1ccccc1)C(C(=O)O)(C(=O)O)C(C)C(F)(F)F	2-(3-phenylpentan-3-yl)-2-(1,1,1-trifluoropropan-2-yl)propanedioic acid
C=CCn1cc(C(N)=O)c([N+](=O)[O-])n1	3-nitro-1-prop-2-enylpyrazole-4-carboxamide
Cc1ccc(CN(C)C(=O)COC(=O)Cc2cccc3ccccc23)cc1	[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
Cc1nn(CC(=O)Nc2cnn(Cc3c(F)cc(F)c(F)c3F)c2)c(C)c1[N+](=O)[O-]	2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide
CN1CCOC(Cn2cncc2C2(C)CCNCC2)C1	4-methyl-2-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]morpholine
O=C1OC[C@@H]2CCC=C3[C@@H](O)CC[C@]132	(3aR,7S,9aR)-7-hydroxy-3a,4,5,7,8,9-hexahydro-3H-cyclopenta[h][2]benzofuran-1-one
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1C	(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
C=CC(C)NC(=O)N1Cc2ccc(C(=O)O)cc2C1	2-(but-3-en-2-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccccc2)cc1	N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)C3c3cccc(Br)c3)oc12	2-(3-bromophenyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
COc1ccc([C@@H]2CN(C(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(C(=O)O)CC3)CC2)cn1	1-[2-[1-[(3R,4R)-3-fluoro-4-(6-methoxypyridin-3-yl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
C=CC1=C(/C=C\C)C2CC=C(C)C=C2C1(C)C	2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]-3a,4-dihydroindene
CN=C(NCc1ccc(C(=O)N(C)C)cc1)NCC1(c2ccc(F)cc2)CCCCC1	4-[[[N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CCCC(C)(CO)CN(CC)C1CCCCC1	2-[[cyclohexyl(ethyl)amino]methyl]-2-methylpentan-1-ol
OCC1CCCN1CC1CC1	[1-(cyclopropylmethyl)pyrrolidin-2-yl]methanol
CC(c1ccc(C(F)(F)F)nc1)n1nc(C#N)c2c(=O)[nH]c(C3CCC3c3ccccn3)nc21	4-oxo-6-(2-pyridin-2-ylcyclobutyl)-1-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-5H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1	N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]-4-nitrobenzamide
CC1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCC(=O)CC2)CC1	3-(5-chloro-1,3-thiazol-2-yl)-1-(4-methylcyclohexyl)-1-(4-oxocyclohexyl)urea
Cc1ccc(N(C)C(=O)C2NCCCC2(C)C)c(C)c1	N-(2,4-dimethylphenyl)-N,3,3-trimethylpiperidine-2-carboxamide
Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)nc2n1	(2S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CCCc1ccc(-c2ccc(-c3ccc(C(=O)CC)c(O)c3F)cc2)cc1	1-[3-fluoro-2-hydroxy-4-[4-(4-propylphenyl)phenyl]phenyl]propan-1-one
CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CN)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1Cl)c1ncc[nH]1	(E)-2-(2-chlorophenyl)-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]ethenesulfonamide
COc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1	N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CCC(NCC(O)COc1cccc(C)c1)C(C)C	1-(2-methylpentan-3-ylamino)-3-(3-methylphenoxy)propan-2-ol
c1ccc(C2=NC(c3ccccc3)=C(n3c4ccccc4c4cc5c(ccc6c5c5cccc7c8ccccc8n6c75)cc43)CN2)cc1	12-(2,4-diphenyl-1,6-dihydropyrimidin-5-yl)-12,19-diazaoctacyclo[17.10.1.02,18.03,15.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6,8,10,14,16,20,22,24,26(30),27-tetradecaene
COc1cccc(NC(=O)N2CC[C@H]3CN(C)S(=O)(=O)[C@H]3CC2)c1	(3aS,8aS)-N-(3-methoxyphenyl)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide

CC(=O)OCOC(=O)NC(C)=NCc1cc(C2=C(C(=O)OCOC(=O)C(C)(C)C)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)cs1

2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[5-[[1-(acetyloxymethoxycarbonylamino)ethylideneamino]methyl]thiophen-3-yl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

CC.CC(C)(C)c1cc(C(N)=O)n[nH]1.[NH3+]C1CCC1

5-tert-butyl-1H-pyrazole-3-carboxamide;cyclobutylazanium;ethane

CC.CO.O=CC1(N(CC(=O)N2CCCC2)S(=O)C2=CC=C(c3ccc(Cl)cc3)C=CC2)CC1/C1=C/C/C=C\C=CC1

4-(4-chlorophenyl)-N-[2-[(1E,4Z)-cycloocta-1,4,6-trien-1-yl]-1-formylcyclopropyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohepta-1,3,5-triene-1-sulfinamide;ethane;methanol

N=C(N)N(CCNC(=O)Cc1ccccc1)C(=O)c1nc(Cl)c(N)nc1N

3,5-diamino-N-carbamimidoyl-6-chloro-N-[2-[(2-phenylacetyl)amino]ethyl]pyrazine-2-carboxamide

CC(Br)CN(C)S(=O)(=O)c1cccc2cnccc12

N-(2-bromopropyl)-N-methylisoquinoline-5-sulfonamide

Cc1cc(CN2CC(CN)CC2=O)n(C)n1

4-(aminomethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidin-2-one

COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(=O)NC(C)C)c2ccc(F)cc2)cc1

2-[(3-chlorophenyl)methyl-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(SCc3ccc(Cl)cc3)s2)ccc1O

3-(1-benzofuran-2-carbonyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-5-one

CC(C)NC(=O)C(C)Nc1cncc(NN)n1

2-[(6-hydrazinylpyrazin-2-yl)amino]-N-propan-2-ylpropanamide

CSc1ccc(C2=NCC(Cl)=N2)cc1

5-chloro-2-(4-methylsulfanylphenyl)-4H-imidazole

CCCCNC(=O)c1cc(OC)on1.CCCCNC(=O)c1noc(OC)c1C.CCN(C)CCCNC(=O)c1cc(OC)on1.CCN(C)CCCNC(=O)c1noc(OC)c1C.COc1cc(C(=O)NCCCN(C)C)no1.COc1onc(C(=O)NCCCN(C)C)c1C

N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide;N-butyl-5-methoxy-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)propyl]-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide;N-[3-(dimethylamino)propyl]-5-methoxy-1,2-oxazole-3-carboxamide;N-[3-[ethyl(methyl)amino]propyl]-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide;N-[3-[ethyl(methyl)amino]propyl]-5-methoxy-1,2-oxazole-3-carboxamide

CC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2ccccc2B4c2cc4c(cc2N3c2ccccc2)N(c2ccccc2-c2ccc(C(C)(C)C)cc2)c2cc(N(c3ccccc3)c3ccccc3-c3ccc(C(C)(C)C)cc3)cc3c2B4c2ccccc2N3c2ccccc2-c2ccc(C(C)(C)C)cc2)cc1

15-N,25-N,12,18,28-pentakis[2-(4-tert-butylphenyl)phenyl]-15-N,25-N,22-triphenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23(35),24,26,29,31,33-pentadecaene-15,25-diamine

CN(C)C(=O)C(Cc1cc(F)cc(F)c1)NSNCc1ccccn1.NC=O.c1ccc2scnc2c1

1,3-benzothiazole;3-(3,5-difluorophenyl)-N,N-dimethyl-2-[(pyridin-2-ylmethylamino)sulfanylamino]propanamide;formamide

NC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccccc1Oc1ccc(F)cc1.[HH].[HH]

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(4-fluorophenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen

CNC(C)/C=C/c1cn(C)nc1C(C)(C)C

(E)-4-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methylbut-3-en-2-amine

CCC1=C2[C@@H](CC/C(C)=C/c3cc(Br)ccc3O)OC[C@@H]2[C@@H]2C(=O)N(C(=O)OC)C(=O)[C@@H]2C1

methyl (3R,5aR,8aS,8bR)-3-[(E)-4-(5-bromo-2-hydroxyphenyl)-3-methylbut-3-enyl]-4-ethyl-6,8-dioxo-1,3,5,5a,8a,8b-hexahydrofuro[3,4-e]isoindole-7-carboxylate

COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCN2CCNCC2)CC(=O)O)nn1C1CCCC1

(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-piperazin-1-ylpentanoic acid

Cc1c(C(C)NC(=O)Cc2cccc(F)c2)cnn1C

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-fluorophenyl)acetamide

O=C(NCC(c1cccc(Cl)c1)N1CCCC1)C1CCN(C(=O)c2ccc(F)cc2F)CC1

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

CCCN(C(C)C)C1CCCCCC1N

1-N-propan-2-yl-1-N-propylcycloheptane-1,2-diamine

CC1CCCC(N)(c2nc3cnccc3n2C2CC2)C1

1-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-3-methylcyclohexan-1-amine

CCOCCCNC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N(C)C

2-(dimethylamino)-N-(3-ethoxypropyl)-5-[(3-nitrobenzoyl)amino]benzamide

Cc1cc(-c2cc(OCCN[C@H](C)c3cccc4ccccc34)cc(C(=O)O)c2)cc(Cl)c1Cl

3-(3,4-dichloro-5-methylphenyl)-5-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethoxy]benzoic acid

NOP(=O)(CNS(=O)(=O)c1cccs1)Oc1cccc(Cl)c1

N-[[aminooxy-(3-chlorophenoxy)phosphoryl]methyl]thiophene-2-sulfonamide

COCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2.O=C(O)/C=C\C(=O)O

(Z)-but-2-enedioic acid;N-(2-methoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide

CC(=O)OCC12CCC3C(CC(O)C4(O)CC(O)CCC34C)C1CCC2C(C)CCCC(C)C

[3,5,6-trihydroxy-10-methyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-13-yl]methyl acetate

COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(F)F

4-(difluoromethoxy)-3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(OCC[N+](C)(C)C)C(=O)O

2-[carboxy-[3-[(Z)-icos-11-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]methoxy]ethyl-trimethylazanium

Cc1cc2c(c(C(C)(C)C)c1)OS(=O)Oc1c(cc(C)cc1C(C)(C)C)S2

1,9-ditert-butyl-3,7-dimethylbenzo[d][1,3,2,6]benzodioxadithiocine 11-oxide

COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(C(C)=O)CCN1C(=O)c1cccs1

methyl (2R)-2-[[(2R)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate

CC(C)(C)OC(=O)CCC(CO)NC(=O)CCNC(=O)C12CC3OC(=O)C1N(Cc1ccc(C=CC(=O)OC4C(=O)OCC4(C)C)cc1)OC2C1OC(C2CC2)(C2CC2)OC31

tert-butyl 4-[3-[[4,4-dicyclopropyl-11-[[4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]phenyl]methyl]-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carbonyl]amino]propanoylamino]-5-hydroxypentanoate

CCn1cc(C(F)F)c(-c2cncc(Br)c2C)n1

3-bromo-5-[4-(difluoromethyl)-1-ethylpyrazol-3-yl]-4-methylpyridine

O=Cc1cccc(-c2cccc(OCCN3CCCCC3)c2)c1

3-[3-(2-piperidin-1-ylethoxy)phenyl]benzaldehyde

C=C1c2c(CCCCCC=O)cccc2C(=O)N1C(C=O)CCC(=O)NC

N-methyl-4-[3-methylidene-1-oxo-4-(6-oxohexyl)isoindol-2-yl]-5-oxopentanamide

Cc1cc(S(=O)(=O)NCC2COCCO2)ccc1N

4-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbenzenesulfonamide

C/C=C\COc1ccc(-c2nn(S(C)(=O)=O)c3cc(Cl)c(OCC(=O)O)cc23)c(C)n1.C=C/C=C/Cl.CC.CCC

2-[3-[6-[(Z)-but-2-enoxy]-2-methylpyridin-3-yl]-6-chloro-1-methylsulfonylindazol-5-yl]oxyacetic acid;(1E)-1-chlorobuta-1,3-diene;ethane;propane

Cc1cc(N2C(=O)C(=O)C(=C(O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1

(5S)-5-(4-tert-butylphenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione

Cc1ccccc1CNCC1CCC(O)CC1

4-[[(2-methylphenyl)methylamino]methyl]cyclohexan-1-ol

COc1cc(O)cc2ccc3cc(Oc4c(O)cc(OC)c5c4ccc4cc(O)ccc45)ccc3c12

1-(7-hydroxy-5-methoxyphenanthren-2-yl)oxy-4-methoxyphenanthrene-2,7-diol

[C-]#[N+]CC(COCc1ccccc1)NC(=O)OC(C)(C)C

tert-butyl N-(1-isocyano-3-phenylmethoxypropan-2-yl)carbamate

CN1CCC(Oc2ccccc2C=O)(C(F)(F)F)CC1

2-[1-methyl-4-(trifluoromethyl)piperidin-4-yl]oxybenzaldehyde

Cc1ccc(-n2cc(C(=O)OC(C)C(=O)NCC(F)(F)F)c(-c3ccccc3)n2)cc1

[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate

c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c5ccccn45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c6ccccn56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c6ccccn56)cc4)cc3)cc2)cc1

N-[4-[4-(1,2-diphenylindolizin-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(1,2-diphenylindolizin-3-yl)phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N-[4-[4-(1,2-diphenylindolizin-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N/C=C\C=C(/N)S

(1E,3Z)-1,4-diaminobuta-1,3-diene-1-thiol

CCCCCCCCCCCCC(C)Cc1c(CCCC)ccc(C(=O)O)c1CCCCCCCCCC

4-butyl-2-decyl-3-(2-methyltetradecyl)benzoic acid

O=C(CN1CCOC1=O)N1CCC(Oc2ncc(-c3ccncc3)cn2)CC1

3-[2-oxo-2-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

CC(C)(CN)NC(=O)CCCc1ccc(Cl)c(Cl)c1

N-(1-amino-2-methylpropan-2-yl)-4-(3,4-dichlorophenyl)butanamide

C[C@H]1[C@@H](NC(=O)CN2CCN(Cc3ccc4c(c3)CCO4)CC2)CCC[C@@H]1C

2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

O=C(CCc1ccc(Cl)cc1)NCCNC(=O)c1ccccc1O

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-hydroxybenzamide

Cc1ccc(C(NC(=O)COc2cccc3c2CCCC3)c2ccccc2)cc1

N-[(4-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C[C@@H]1CCCN(C(=O)CCc2cc(Cl)cs2)[C@@H]1CN

1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one

CCCCCn1c(=O)[nH]cc(N)c1=O

5-amino-3-pentyl-1H-pyrimidine-2,4-dione

C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(NC(=O)CSC(=S)N5[C@@H](C)CCC[C@@H]5C)cc4)cc3)cc2)cc1

[2-[4-[4-[4-[4-[[2-[(2R,6R)-2,6-dimethylpiperidine-1-carbothioyl]sulfanylacetyl]amino]phenyl]phenyl]sulfonylphenyl]anilino]-2-oxoethyl] (2S,6S)-2,6-dimethylpiperidine-1-carbodithioate

CCCNc1nc(Sc2ncco2)c2ccccc2n1

4-(1,3-oxazol-2-ylsulfanyl)-N-propylquinazolin-2-amine

CC(C)C1COCCN1c1ncc(C2(OC=O)CCC2)cc1Nc1ccc(Cl)cc1

[1-[5-(4-chloroanilino)-6-(3-propan-2-ylmorpholin-4-yl)pyridin-3-yl]cyclobutyl] formate

CC(CCc1ccccc1)NCc1c[nH]c2ccccc12

N-(1H-indol-3-ylmethyl)-4-phenylbutan-2-amine

Cn1cc(S(=O)(=O)NCCCNC(=O)c2ccccc2F)cc1C(N)=O

4-[3-[(2-fluorobenzoyl)amino]propylsulfamoyl]-1-methylpyrrole-2-carboxamide

CCc1ccc2nc(-c3ccc(C(C)C)cc3)[nH]c(=O)c2c1

6-ethyl-2-(4-propan-2-ylphenyl)-3H-quinazolin-4-one

CNC(c1cscc1Br)C1CSCCN1C

1-(4-bromothiophen-3-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine

CCOC(=O)C1=C(N[C@@H](COC)c2ccccc2)C(F)(F)CC1

ethyl 3,3-difluoro-2-[[(1R)-2-methoxy-1-phenylethyl]amino]cyclopentene-1-carboxylate

Cc1ccc(C(N)N)cc1.NC(=O)O

carbamic acid;(4-methylphenyl)methanediamine

CC#CCC(=O)Cc1ccc(F)cc1Cl

1-(2-chloro-4-fluorophenyl)hex-4-yn-2-one

Cc1nc2nn(C)cc2cc1-n1nc(-c2cccc3nn(C[C@H](OCF)c4ccccc4)cc23)c(C(C)C)c1C

5-[3-[2-[(2R)-2-(fluoromethoxy)-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-2,6-dimethylpyrazolo[3,4-b]pyridine

Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN2CCCCC12

(2S)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride

C1CC1.Cc1cc(/C(=N\O)C2CC2)ncc1-c1cc2cnc(NC=O)cc2n2ccnc12

cyclopropane;N-[4-[6-[(Z)-C-cyclopropyl-N-hydroxycarbonimidoyl]-4-methylpyridin-3-yl]imidazo[1,2-a][1,6]naphthyridin-8-yl]formamide

CCCCC[C@H](O)C[C@@H]1CCCC(=O)O1

(6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one

COCC(C)COCc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)C3CN(C)C(=O)C(C2)N3C(=O)OC)cc1

methyl 6-[cyclopropyl-[(2,3-dichlorophenyl)methyl]carbamoyl]-7-[4-[(3-methoxy-2-methylpropoxy)methyl]phenyl]-3-methyl-2-oxo-3,9-diazabicyclo[3.3.1]non-6-ene-9-carboxylate

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](NS(=O)(=O)O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](NS(=O)(=O)[O-])C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[K+].[NH4+].[OH-]

azanium;potassium;N-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfamate;[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]sulfamic acid;hydroxide

CC(=O)N/N=C1\C[C@H]2CC[C@]1(C)C2(C)C

N-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide

CNC(=O)c1nc(-c2cccnc2)nc2[nH]c(=O)[nH]c12

N-methyl-8-oxo-2-pyridin-3-yl-7,9-dihydropurine-6-carboxamide

Cc1cc(C)cc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1

N-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)piperidine-1-carbothioamide

CN(CCc1ccccc1)c1nccc(/C=C2/C(=O)CC(=O)N2Cc2ccccc2)n1.O=C1CC(=O)N(Cc2ccccc2)/C1=C\c1ccnc(N2CCN(c3ccncc3)CC2)n1

(5Z)-1-benzyl-5-[[2-[methyl(2-phenylethyl)amino]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-1-benzyl-5-[[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione

CCC(CC)(c1ccccc1)C(C(=O)O)(C(=O)O)C(C)C(F)(F)F

2-(3-phenylpentan-3-yl)-2-(1,1,1-trifluoropropan-2-yl)propanedioic acid

C=CCn1cc(C(N)=O)c([N+](=O)[O-])n1

3-nitro-1-prop-2-enylpyrazole-4-carboxamide

Cc1ccc(CN(C)C(=O)COC(=O)Cc2cccc3ccccc23)cc1

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-1-ylacetate

Cc1nn(CC(=O)Nc2cnn(Cc3c(F)cc(F)c(F)c3F)c2)c(C)c1[N+](=O)[O-]

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]acetamide

CN1CCOC(Cn2cncc2C2(C)CCNCC2)C1

4-methyl-2-[[5-(4-methylpiperidin-4-yl)imidazol-1-yl]methyl]morpholine

O=C1OC[C@@H]2CCC=C3[C@@H](O)CC[C@]132

(3aR,7S,9aR)-7-hydroxy-3a,4,5,7,8,9-hexahydro-3H-cyclopenta[h][2]benzofuran-1-one

CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C)c2)cc1C

(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide

O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

C=CC(C)NC(=O)N1Cc2ccc(C(=O)O)cc2C1

2-(but-3-en-2-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid

Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3O)nnc2-c2ccccc2)cc1

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(SCc5ccc(Cl)cc5)s4)C3c3cccc(Br)c3)oc12

2-(3-bromophenyl)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

COc1ccc([C@@H]2CN(C(C)C)C[C@@]2(F)C(=O)N2CCC(c3ccc(C(F)(F)F)cc3N3CCC(C(=O)O)CC3)CC2)cn1

1-[2-[1-[(3R,4R)-3-fluoro-4-(6-methoxypyridin-3-yl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

C=CC1=C(/C=C\C)C2CC=C(C)C=C2C1(C)C

2-ethenyl-1,1,6-trimethyl-3-[(Z)-prop-1-enyl]-3a,4-dihydroindene

CN=C(NCc1ccc(C(=O)N(C)C)cc1)NCC1(c2ccc(F)cc2)CCCCC1

4-[[[N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide

CCCC(C)(CO)CN(CC)C1CCCCC1

2-[[cyclohexyl(ethyl)amino]methyl]-2-methylpentan-1-ol

OCC1CCCN1CC1CC1

[1-(cyclopropylmethyl)pyrrolidin-2-yl]methanol

CC(c1ccc(C(F)(F)F)nc1)n1nc(C#N)c2c(=O)[nH]c(C3CCC3c3ccccn3)nc21

4-oxo-6-(2-pyridin-2-ylcyclobutyl)-1-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-5H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile

C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1

N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]-4-nitrobenzamide

CC1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCC(=O)CC2)CC1

3-(5-chloro-1,3-thiazol-2-yl)-1-(4-methylcyclohexyl)-1-(4-oxocyclohexyl)urea

Cc1ccc(N(C)C(=O)C2NCCCC2(C)C)c(C)c1

N-(2,4-dimethylphenyl)-N,3,3-trimethylpiperidine-2-carboxamide

Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccc(C(F)(F)F)cc3)nc2n1

(2S)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide

CCCc1ccc(-c2ccc(-c3ccc(C(=O)CC)c(O)c3F)cc2)cc1

1-[3-fluoro-2-hydroxy-4-[4-(4-propylphenyl)phenyl]phenyl]propan-1-one

CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CN)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] (2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate

CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1Cl)c1ncc[nH]1

(E)-2-(2-chlorophenyl)-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]ethenesulfonamide

COc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1

N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

CCC(NCC(O)COc1cccc(C)c1)C(C)C

1-(2-methylpentan-3-ylamino)-3-(3-methylphenoxy)propan-2-ol

c1ccc(C2=NC(c3ccccc3)=C(n3c4ccccc4c4cc5c(ccc6c5c5cccc7c8ccccc8n6c75)cc43)CN2)cc1

12-(2,4-diphenyl-1,6-dihydropyrimidin-5-yl)-12,19-diazaoctacyclo[17.10.1.02,18.03,15.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6,8,10,14,16,20,22,24,26(30),27-tetradecaene

COc1cccc(NC(=O)N2CC[C@H]3CN(C)S(=O)(=O)[C@H]3CC2)c1

(3aS,8aS)-N-(3-methoxyphenyl)-2-methyl-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepine-6-carboxamide