AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-17

SMILES stringlengths 2 901	IUPAC stringlengths 4 1.82k
CCOC(=O)C1=NCC(C)=C1	ethyl 3-methyl-2H-pyrrole-5-carboxylate
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1	(2S)-2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butylbutanamide
Nc1cc(Nc2cccc(-c3ccccc3)c2)cc(NCCc2ccccn2)n1	4-N-(3-phenylphenyl)-6-N-(2-pyridin-2-ylethyl)pyridine-2,4,6-triamine
O=C(c1cccnc1)N(CCCl)Cc1ccccc1	N-benzyl-N-(2-chloroethyl)pyridine-3-carboxamide
CCNCc1cc(Br)cnc1-n1cc(Cl)c(C)n1	N-[[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)pyridin-3-yl]methyl]ethanamine
CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Cc3nc4ccc(-c5cc(C6CCOCC6)ncn5)cc4[nH]3)c2)CC1	tert-butyl 4-[[2-[[6-[6-(oxan-4-yl)pyrimidin-4-yl]-1H-benzimidazol-2-yl]methyl]pyridin-4-yl]methyl]piperazine-1-carboxylate
C=C(C)Cn1cc(C(C)=O)c2ccccc21	1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanone
COc1ccc(Br)cc1OCCCc1ccccc1	4-bromo-1-methoxy-2-(3-phenylpropoxy)benzene
CNC(Cc1cc(OC)ccc1Br)C1CCC(F)(F)CC1	2-(2-bromo-5-methoxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
Brc1csc(CNCCc2ncc[nH]2)c1	N-[(4-bromothiophen-2-yl)methyl]-2-(1H-imidazol-2-yl)ethanamine
COc1ccc(N2C3=NC4C(C(=O)N(Cc5ccccc5F)C(=O)N4C)N3C(C)=C2C)c(OC)c1	6-(2,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CCOCC12CN(C(=O)OC(C)(C)C)CCC1(c1ccc(Cl)c(Cl)c1)C2	tert-butyl 6-(3,4-dichlorophenyl)-1-(ethoxymethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5noc(C)n5)CC4)c(OC)cc3Cl)cc12	5-[2-chloro-4-methoxy-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CC#CCCC1CC(C(C)C)CCC1CNC1CC1	N-[(2-pent-3-ynyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CC1CCC(C)N(c2nc(Br)cs2)C1	4-bromo-2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole
CC(Nc1ccccc1C(F)(F)F)c1ccc(Br)s1	N-[1-(5-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
NC(=O)c1oc2ccc(N)cc2c1N	3,5-diamino-1-benzofuran-2-carboxamide
Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc(C2CC2)n1	2-cyclopropyl-6-methyl-N-[(4-sulfamoylphenyl)methyl]pyrimidine-4-carboxamide
CC(C)NC(=O)c1ccc2c(O)cc(COC=O)cc2c1	[4-hydroxy-7-(propan-2-ylcarbamoyl)naphthalen-2-yl]methyl formate
CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@@H](C)C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)[C@H]2O[C@@H]2[C@@H]1CO[C@H]1O[C@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC	(2S)-2-acetamido-3-[[(1R,2R,3R,6E,8S,9S,10R,12R,15R,16S)-9-[(2R,3R,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2S,3S,4R,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-6-en-15-yl]sulfanyl]propanoic acid
CC(C)Sc1ccc(CC(=O)N2CC(CF)C2)cc1	1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
COc1ccccc1C(=O)c1ccccc1Nc1ncccc1N	[2-[(3-aminopyridin-2-yl)amino]phenyl]-(2-methoxyphenyl)methanone
CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1	[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
O=C(O)N[C@@H]1CCCN(CC(F)(F)F)C1	[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamic acid
O=C(CC1CCCN1)Nc1ccc([N+](=O)[O-])cc1F	N-(2-fluoro-4-nitrophenyl)-2-pyrrolidin-2-ylacetamide
COc1nc(=S)nc(-c2ccc(F)cc2Cl)[nH]1	2-(2-chloro-4-fluorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
O=C(Nc1ccc(F)c(F)c1)c1c(Cl)c(S(=O)(=O)N2C3CCC2CC(O)(c2cc(-c4ccccc4)on2)C3)c2n1CC=C2	2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(5-phenyl-1,2-oxazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-5H-pyrrolizine-3-carboxamide
Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccccc2C#N)o1)c1c(C)[nH][nH]c1=O	2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzonitrile
CNc1ccc(N(N)CC(C)(C)C)c(N)c1Br.O=Cc1ccccc1	4-[amino(2,2-dimethylpropyl)amino]-2-bromo-1-N-methylbenzene-1,3-diamine;benzaldehyde
Cc1ccc(-c2nn(CC(=O)Nc3ccnn3-c3ccccc3)cc2C)cc1	2-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide
CC(C)C1=CC=C2C[C@@H](O)CCC2(C)C1C(C)C	(2S)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1H-naphthalen-2-ol
CN(Nc1ccc(Cl)nn1)C1=NS(=O)(=O)c2ccccc21	2-(6-chloropyridazin-3-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine
CCCO[C@H]([C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O)C(F)(F)F	(3aR,5S,6S,7R,7aR)-2-(methylamino)-5-[(1R)-2,2,2-trifluoro-1-propoxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Cc1ccc(C)c(NC(=O)COC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1	[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
C=C(CC(c1cc(F)cc(C(F)(F)F)c1)c1ccc(C)c(C(F)(F)F)c1)NC(CC)CC(C)C	N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[4-methyl-3-(trifluoromethyl)phenyl]but-1-en-2-yl]-5-methylhexan-3-amine
CCC(NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccccc1C	methyl 2-chloro-5-[1-(2-methylphenyl)propylsulfamoyl]benzoate
CCC(C)(C)N=P(OC1=CC=CC1)(C(C)(C)CC)C(C)(C)CC	cyclopenta-1,3-dien-1-yloxy-bis(2-methylbutan-2-yl)-(2-methylbutan-2-ylimino)-λ5-phosphane
CCCC(CCNC(=O)c1cccc(-c2coc(C=C3C(=O)Nc4ccc(F)cc43)c2)c1)C(C)CC	3-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-3-yl]-N-(4-methyl-3-propylhexyl)benzamide
CN=C(NCc1ccc(C(=O)OC)cc1)NCc1ccnn1C	methyl 4-[[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]methyl]benzoate
N=c1ncn(Cc2c(Cl)cncc2Cl)c2nc(C3CCSCC3)[nH]c12	3-[(3,5-dichloropyridin-4-yl)methyl]-8-(thian-4-yl)-7H-purin-6-imine
Cc1cncc(N2CCC(=O)N3CCCC3C2=O)c1	2-(5-methylpyridin-3-yl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
Cc1ncn(-c2ccc(N)cc2C#N)c1C	5-amino-2-(4,5-dimethylimidazol-1-yl)benzonitrile
COc1ccccc1CNC(=O)CCN(C(C)=O)c1ccc(C)c(Cl)c1	3-(N-acetyl-3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
COc1cccc(-c2cncc(C3=C4C=C4N(CC(C)CN(C)C)C3)c2)c1	3-[4-[5-(3-methoxyphenyl)pyridin-3-yl]-2-azabicyclo[3.1.0]hexa-1(6),4-dien-2-yl]-N,N,2-trimethylpropan-1-amine
COc1c(C)c2c(c(OC(=O)CCC(=O)NCc3ccccc3)c1C/C=C(\C)CCC(=O)OCCCN1CC[C@@H](OC)C1)C(=O)OC2	3-[(3R)-3-methoxypyrrolidin-1-yl]propyl (E)-6-[4-[4-(benzylamino)-4-oxobutanoyl]oxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
CCOc1ccc(/C=N/n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1	2-amino-N-cyclopentyl-1-[(E)-(4-ethoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CC(C)CCC(C)C(C)CCC(C)C(C)C(F)C(F)C(C)C(C)CCC(C)C.O.O.[HH].[HH]	7,8-difluoro-2,5,6,9,10,13,14,17-octamethyloctadecane;molecular hydrogen;dihydrate
CCC(C)CC(C)N1CC(C)(C2CC2)NCC1C(C)C	5-cyclopropyl-5-methyl-1-(4-methylhexan-2-yl)-2-propan-2-ylpiperazine
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H](NC(=O)CCCC(=O)N2CCC(c3cc4nnc(-c5ccccc5O)cc4s3)CC2)C(C)(C)C)cc1	(2S)-4-hydroxy-1-[(2S)-2-[[5-[4-[3-(2-hydroxyphenyl)thieno[3,2-c]pyridazin-6-yl]piperidin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
C[C@@H](C(=O)CNS(=O)(=O)c1ccccn1)N(C(=O)O)C(Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C	[1-(5,6-dichlorobenzimidazol-1-yl)-3,3-dimethylbutan-2-yl]-[(2S)-3-oxo-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamic acid
O=S(=O)(O)c1cc(O)c2ccc(NCc3cnc(Cl)s3)cc2c1	7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid
O=C(Nc1ccc(CCBr)cc1)c1ccc([N+](=O)[O-])s1	N-[4-(2-bromoethyl)phenyl]-5-nitrothiophene-2-carboxamide
NCc1cc(OC(F)(F)F)c(N)nc1C=O	6-amino-3-(aminomethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CO/N=C(\C)CCCOc1cc(C)c(-c2cccc(COc3cc4c(cn3)[C@H]3[C@@H](C4)[C@@H]3C(=O)O)c2)c(C)c1	(2S,3S,4R)-8-[[3-[4-[(4E)-4-methoxyiminopentoxy]-2,6-dimethylphenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CCOC(=O)C1CCN(C(=O)c2cncc(-c3cc(C)cc(C)c3)c2)CC1	ethyl 1-[5-(3,5-dimethylphenyl)pyridine-3-carbonyl]piperidine-4-carboxylate
CC(NC(=O)CN1CCC2(CCNC2)C1)C1CC2CCC1C2.Cl	N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,7-diazaspiro[4.4]nonan-2-yl)acetamide;hydrochloride
COC(=O)c1cc(NC(=O)C(C)C)c2cc(Cc3ccc(F)cc3)cnc2c1O	methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methylpropanoylamino)quinoline-7-carboxylate
COc1ccc(Oc2cccc(C(=O)CBr)c2)cc1	2-bromo-1-[3-(4-methoxyphenoxy)phenyl]ethanone
O=C(COc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1)N1CCCC1	3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-sulfanylidene-1H-quinazolin-4-one
Cn1ccnc1C(=O)Nc1cccc(Oc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c1	1-methyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]oxy]phenyl]imidazole-2-carboxamide
CCOc1cc(/C=N\NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide
C/C=C/[C@@H]1CC(C(=O)OC)(C(=O)OC)CC[C@H]1O	dimethyl (3S,4R)-4-hydroxy-3-[(E)-prop-1-enyl]cyclohexane-1,1-dicarboxylate
NC(=O)C(NCC1(Sc2ccc(Br)cc2)CC1)c1cccc(Br)c1	2-(3-bromophenyl)-2-[[1-(4-bromophenyl)sulfanylcyclopropyl]methylamino]acetamide
CCNC(CC)Cc1nc(C2(OC)CCC2)no1	N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CCc1ccc(CNC(=O)c2cc(C)cc(N)c2)s1	3-amino-N-[(5-ethylthiophen-2-yl)methyl]-5-methylbenzamide
Cc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](c3ccc4c(c3)OCO4)C2)o1	(2S,6R)-2-(1,3-benzodioxol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmorpholine
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC/C=C\CCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCC	[(Z)-27-(1,3-dihydroxynonadecan-2-ylamino)-27-oxoheptacos-15-enyl] (13Z,16Z)-docosa-13,16-dienoate
CN(C)c1n[nH]c(CN)n1	5-(aminomethyl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CNC1CCCN(C(=O)c2cc(C3CC3)n(C)n2)C1.Cl	(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CN=C1N(C)CCCN1C	N,1,3-trimethyl-1,3-diazinan-2-imine
CCCOc1cccc2c1NC(=O)C(C)(C)N2CC	4-ethyl-3,3-dimethyl-8-propoxy-1H-quinoxalin-2-one
CC(C)Nc1ncc(F)cc1F	3,5-difluoro-N-propan-2-ylpyridin-2-amine
C=CN/C(C)=C(\N)C(C)=CN=CN	N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
CCOc1ccc(Br)cc1Cc1sc(=S)[nH]c1O	5-[(5-bromo-2-ethoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione
CCS(=O)(=O)Oc1cc(CNC2CC2)ccc1OC	[5-[(cyclopropylamino)methyl]-2-methoxyphenyl] ethanesulfonate
CC(NC(=O)C=Cc1ccc(F)cc1F)c1cccc(N2CCOCC2)c1	3-(2,4-difluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
Nc1c(S(=O)(=O)O)cc2cc(OS)cc(O)c2c1N=Nc1ccc(Nc2nc(Cl)nc(NCCNc3nc(Cl)nc(Nc4ccc(N=Nc5c(N)c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(O)c56)c(S(=O)(=O)O)c4)n3)n2)cc1S(=O)(=O)O	3-amino-4-[[4-[[4-[2-[[4-[4-[(2-amino-8-hydroxy-6-sulfanyloxy-3-sulfonaphthalen-1-yl)diazenyl]-3-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
O=C(CN1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)Nc1ccc(Cl)cc1	N-(4-chlorophenyl)-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
C=C(C)[C@@H]1CC[C@]2([C@H](O)C#CCN3CCCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.Cl	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-[(1S)-1-hydroxy-4-pyrrolidin-1-ylbut-2-ynyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one;hydrochloride
Brc1c2ccc(-c3c4ccccc4c(-c4ccc5c(Br)c6cc(-c7ccccc7)ccc6c(Br)c5c4)c4ccccc34)cc2c(Br)c2ccc(-c3ccccc3)cc12	9,10-dibromo-2-[10-(9,10-dibromo-6-phenylanthracen-2-yl)anthracen-9-yl]-6-phenylanthracene
Cc1cccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1	6-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
C#C[C@@](O)([C@H](O)[C@@H](COP(=O)(N[C@@H](C)C(=O)OC1CCCCC1)Oc1ccccc1)OC)n1ccc(=O)[nH]c1=O	cyclohexyl (2S)-2-[[[(2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-methoxyhex-5-ynoxy]-phenoxyphosphoryl]amino]propanoate
O=C1C=CCc2ccccc21	4H-naphthalen-1-one
Cc1cc(CN=C(NCCCN2CCOCC2)NCc2nnc(C)n2C)ccc1F.I	1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-[(4-fluoro-3-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
Cn1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)n1	[(6S)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylpyrazol-3-yl)methanone
CC(=O)Nc1ccc(S(=O)(=O)N(N2CC(C)=NNC2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.CC1=NNC(=O)N(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)C1.CC1=NNC(=O)N(N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1.CC1=NNC(=O)N(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)C1	N-[4-[(4-acetamidophenyl)sulfonyl-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)sulfamoyl]phenyl]acetamide;N-(benzenesulfonyl)-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzenesulfonamide;4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-N-(4-methylphenyl)sulfonylbenzenesulfonamide;N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-4-nitro-N-(4-nitrophenyl)sulfonylbenzenesulfonamide
CCOC(=O)C(C)CC(=O)CC	ethyl 2-methyl-4-oxohexanoate
OCC(O)C(O)c1cc2ccccc2o1	1-(1-benzofuran-2-yl)propane-1,2,3-triol
NC(c1ccc(C2CCC2)cc1)c1ccc2c(c1)COC2	(4-cyclobutylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CCNC(=NCc1ccc(S(=O)(=O)NCCOC)cc1)NCc1ccc(F)cc1	1-ethyl-3-[(4-fluorophenyl)methyl]-2-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine
CCC[C@@](O)([C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](CCc3ccccc3)C[C@]12C)[C@H]1O[C@@H]1[C@](C)(O)C(C)(C)CCC1=CCNC(N)=C1	(3S,5R,9R,10R,11R,13R,14S,17S)-17-[(1R)-1-[(2S,3S)-3-[(2R)-5-(6-amino-1,2-dihydropyridin-4-yl)-2-hydroxy-3,3-dimethylpentan-2-yl]oxiran-2-yl]-1-hydroxybutyl]-3,14-dihydroxy-10,13-dimethyl-11-(2-phenylethyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
O=C(NCc1cn2cc(CNCC3COC3)ccc2n1)c1cc(=O)n2ccccc2n1	N-[[6-[(oxetan-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CC(CN(C(=O)NC1CCC(C(=O)O)CC1)[C@@H](C)CO)c1ccccc1	4-[[[(2S)-1-hydroxypropan-2-yl]-(2-phenylpropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CCCCN(CCCC)[C@H](C(=O)O[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OC(C)C)c1ccccc1	propan-2-yl (2S,3R)-2-benzamido-3-[(2S)-2-(dibutylamino)-2-phenylacetyl]oxybutanoate
CCc1oc2ccccc2c1CN(C)c1cncc(C(N)=O)n1	6-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]pyrazine-2-carboxamide
CC(C)C(C)(O)CNC(=O)Cc1csc(Cc2ccccc2)n1	2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
C=CC(=O)N1Cc2sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c3c2C1	(2S)-2-phenyl-2-[(4-prop-2-enoyl-7-thia-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]acetic acid
O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(SCc2cccnc2)cc1	4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
C=C(C)SC(=CC)CNC(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cn1	5-[[(3-cyanobenzoyl)amino]methyl]-N-(2-prop-1-en-2-ylsulfanylbut-2-enyl)pyridine-2-carboxamide
CCC1(C(C)CCOC)CCCN1	2-ethyl-2-(4-methoxybutan-2-yl)pyrrolidine

CCOC(=O)C1=NCC(C)=C1

ethyl 3-methyl-2H-pyrrole-5-carboxylate

CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1

(2S)-2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-tert-butylbutanamide

Nc1cc(Nc2cccc(-c3ccccc3)c2)cc(NCCc2ccccn2)n1

4-N-(3-phenylphenyl)-6-N-(2-pyridin-2-ylethyl)pyridine-2,4,6-triamine

O=C(c1cccnc1)N(CCCl)Cc1ccccc1

N-benzyl-N-(2-chloroethyl)pyridine-3-carboxamide

CCNCc1cc(Br)cnc1-n1cc(Cl)c(C)n1

N-[[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)pyridin-3-yl]methyl]ethanamine

CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Cc3nc4ccc(-c5cc(C6CCOCC6)ncn5)cc4[nH]3)c2)CC1

tert-butyl 4-[[2-[[6-[6-(oxan-4-yl)pyrimidin-4-yl]-1H-benzimidazol-2-yl]methyl]pyridin-4-yl]methyl]piperazine-1-carboxylate

C=C(C)Cn1cc(C(C)=O)c2ccccc21

1-[1-(2-methylprop-2-enyl)indol-3-yl]ethanone

COc1ccc(Br)cc1OCCCc1ccccc1

4-bromo-1-methoxy-2-(3-phenylpropoxy)benzene

CNC(Cc1cc(OC)ccc1Br)C1CCC(F)(F)CC1

2-(2-bromo-5-methoxyphenyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

Brc1csc(CNCCc2ncc[nH]2)c1

N-[(4-bromothiophen-2-yl)methyl]-2-(1H-imidazol-2-yl)ethanamine

COc1ccc(N2C3=NC4C(C(=O)N(Cc5ccccc5F)C(=O)N4C)N3C(C)=C2C)c(OC)c1

6-(2,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methyl]-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

CCOCC12CN(C(=O)OC(C)(C)C)CCC1(c1ccc(Cl)c(Cl)c1)C2

tert-butyl 6-(3,4-dichlorophenyl)-1-(ethoxymethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5noc(C)n5)CC4)c(OC)cc3Cl)cc12

5-[2-chloro-4-methoxy-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopropyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

CC#CCCC1CC(C(C)C)CCC1CNC1CC1

N-[(2-pent-3-ynyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine

CC1CCC(C)N(c2nc(Br)cs2)C1

4-bromo-2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole

CC(Nc1ccccc1C(F)(F)F)c1ccc(Br)s1

N-[1-(5-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline

NC(=O)c1oc2ccc(N)cc2c1N

3,5-diamino-1-benzofuran-2-carboxamide

Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)nc(C2CC2)n1

2-cyclopropyl-6-methyl-N-[(4-sulfamoylphenyl)methyl]pyrimidine-4-carboxamide

CC(C)NC(=O)c1ccc2c(O)cc(COC=O)cc2c1

[4-hydroxy-7-(propan-2-ylcarbamoyl)naphthalen-2-yl]methyl formate

CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@@H](C)C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)[C@H]2O[C@@H]2[C@@H]1CO[C@H]1O[C@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC

(2S)-2-acetamido-3-[[(1R,2R,3R,6E,8S,9S,10R,12R,15R,16S)-9-[(2R,3R,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2S,3S,4R,5S,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-6-en-15-yl]sulfanyl]propanoic acid

CC(C)Sc1ccc(CC(=O)N2CC(CF)C2)cc1

1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

COc1ccccc1C(=O)c1ccccc1Nc1ncccc1N

[2-[(3-aminopyridin-2-yl)amino]phenyl]-(2-methoxyphenyl)methanone

CC(C)[C@H]([NH2+]CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccccc1

[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

O=C(O)N[C@@H]1CCCN(CC(F)(F)F)C1

[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamic acid

O=C(CC1CCCN1)Nc1ccc([N+](=O)[O-])cc1F

N-(2-fluoro-4-nitrophenyl)-2-pyrrolidin-2-ylacetamide

COc1nc(=S)nc(-c2ccc(F)cc2Cl)[nH]1

2-(2-chloro-4-fluorophenyl)-6-methoxy-1H-1,3,5-triazine-4-thione

O=C(Nc1ccc(F)c(F)c1)c1c(Cl)c(S(=O)(=O)N2C3CCC2CC(O)(c2cc(-c4ccccc4)on2)C3)c2n1CC=C2

2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(5-phenyl-1,2-oxazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-5H-pyrrolizine-3-carboxamide

Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccccc2C#N)o1)c1c(C)[nH][nH]c1=O

2-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]furan-2-yl]benzonitrile

CNc1ccc(N(N)CC(C)(C)C)c(N)c1Br.O=Cc1ccccc1

4-[amino(2,2-dimethylpropyl)amino]-2-bromo-1-N-methylbenzene-1,3-diamine;benzaldehyde

Cc1ccc(-c2nn(CC(=O)Nc3ccnn3-c3ccccc3)cc2C)cc1

2-[4-methyl-3-(4-methylphenyl)pyrazol-1-yl]-N-(2-phenylpyrazol-3-yl)acetamide

CC(C)C1=CC=C2C[C@@H](O)CCC2(C)C1C(C)C

(2S)-4a-methyl-5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1H-naphthalen-2-ol

CN(Nc1ccc(Cl)nn1)C1=NS(=O)(=O)c2ccccc21

2-(6-chloropyridazin-3-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-methylhydrazine

CCCO[C@H]([C@H]1O[C@@H]2SC(NC)=N[C@@H]2[C@@H](O)[C@@H]1O)C(F)(F)F

(3aR,5S,6S,7R,7aR)-2-(methylamino)-5-[(1R)-2,2,2-trifluoro-1-propoxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Cc1ccc(C)c(NC(=O)COC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate

C=C(CC(c1cc(F)cc(C(F)(F)F)c1)c1ccc(C)c(C(F)(F)F)c1)NC(CC)CC(C)C

N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-[4-methyl-3-(trifluoromethyl)phenyl]but-1-en-2-yl]-5-methylhexan-3-amine

CCC(NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccccc1C

methyl 2-chloro-5-[1-(2-methylphenyl)propylsulfamoyl]benzoate

CCC(C)(C)N=P(OC1=CC=CC1)(C(C)(C)CC)C(C)(C)CC

cyclopenta-1,3-dien-1-yloxy-bis(2-methylbutan-2-yl)-(2-methylbutan-2-ylimino)-λ5-phosphane

CCCC(CCNC(=O)c1cccc(-c2coc(C=C3C(=O)Nc4ccc(F)cc43)c2)c1)C(C)CC

3-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-3-yl]-N-(4-methyl-3-propylhexyl)benzamide

CN=C(NCc1ccc(C(=O)OC)cc1)NCc1ccnn1C

methyl 4-[[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]methyl]benzoate

N=c1ncn(Cc2c(Cl)cncc2Cl)c2nc(C3CCSCC3)[nH]c12

3-[(3,5-dichloropyridin-4-yl)methyl]-8-(thian-4-yl)-7H-purin-6-imine

Cc1cncc(N2CCC(=O)N3CCCC3C2=O)c1

2-(5-methylpyridin-3-yl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione

Cc1ncn(-c2ccc(N)cc2C#N)c1C

5-amino-2-(4,5-dimethylimidazol-1-yl)benzonitrile

COc1ccccc1CNC(=O)CCN(C(C)=O)c1ccc(C)c(Cl)c1

3-(N-acetyl-3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide

COc1cccc(-c2cncc(C3=C4C=C4N(CC(C)CN(C)C)C3)c2)c1

3-[4-[5-(3-methoxyphenyl)pyridin-3-yl]-2-azabicyclo[3.1.0]hexa-1(6),4-dien-2-yl]-N,N,2-trimethylpropan-1-amine

COc1c(C)c2c(c(OC(=O)CCC(=O)NCc3ccccc3)c1C/C=C(\C)CCC(=O)OCCCN1CC[C@@H](OC)C1)C(=O)OC2

3-[(3R)-3-methoxypyrrolidin-1-yl]propyl (E)-6-[4-[4-(benzylamino)-4-oxobutanoyl]oxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate

CCOc1ccc(/C=N/n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1

2-amino-N-cyclopentyl-1-[(E)-(4-ethoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

CC(C)CCC(C)C(C)CCC(C)C(C)C(F)C(F)C(C)C(C)CCC(C)C.O.O.[HH].[HH]

7,8-difluoro-2,5,6,9,10,13,14,17-octamethyloctadecane;molecular hydrogen;dihydrate

CCC(C)CC(C)N1CC(C)(C2CC2)NCC1C(C)C

5-cyclopropyl-5-methyl-1-(4-methylhexan-2-yl)-2-propan-2-ylpiperazine

Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H](NC(=O)CCCC(=O)N2CCC(c3cc4nnc(-c5ccccc5O)cc4s3)CC2)C(C)(C)C)cc1

(2S)-4-hydroxy-1-[(2S)-2-[[5-[4-[3-(2-hydroxyphenyl)thieno[3,2-c]pyridazin-6-yl]piperidin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C[C@@H](C(=O)CNS(=O)(=O)c1ccccn1)N(C(=O)O)C(Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C

[1-(5,6-dichlorobenzimidazol-1-yl)-3,3-dimethylbutan-2-yl]-[(2S)-3-oxo-4-(pyridin-2-ylsulfonylamino)butan-2-yl]carbamic acid

O=S(=O)(O)c1cc(O)c2ccc(NCc3cnc(Cl)s3)cc2c1

7-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-hydroxynaphthalene-2-sulfonic acid

O=C(Nc1ccc(CCBr)cc1)c1ccc([N+](=O)[O-])s1

N-[4-(2-bromoethyl)phenyl]-5-nitrothiophene-2-carboxamide

NCc1cc(OC(F)(F)F)c(N)nc1C=O

6-amino-3-(aminomethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde

CO/N=C(\C)CCCOc1cc(C)c(-c2cccc(COc3cc4c(cn3)[C@H]3[C@@H](C4)[C@@H]3C(=O)O)c2)c(C)c1

(2S,3S,4R)-8-[[3-[4-[(4E)-4-methoxyiminopentoxy]-2,6-dimethylphenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid

CCOC(=O)C1CCN(C(=O)c2cncc(-c3cc(C)cc(C)c3)c2)CC1

ethyl 1-[5-(3,5-dimethylphenyl)pyridine-3-carbonyl]piperidine-4-carboxylate

CC(NC(=O)CN1CCC2(CCNC2)C1)C1CC2CCC1C2.Cl

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,7-diazaspiro[4.4]nonan-2-yl)acetamide;hydrochloride

COC(=O)c1cc(NC(=O)C(C)C)c2cc(Cc3ccc(F)cc3)cnc2c1O

methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-5-(2-methylpropanoylamino)quinoline-7-carboxylate

COc1ccc(Oc2cccc(C(=O)CBr)c2)cc1

2-bromo-1-[3-(4-methoxyphenoxy)phenyl]ethanone

O=C(COc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1)N1CCCC1

3-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Cn1ccnc1C(=O)Nc1cccc(Oc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c1

1-methyl-N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]oxy]phenyl]imidazole-2-carboxamide

CCOc1cc(/C=N\NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]acetamide

C/C=C/[C@@H]1CC(C(=O)OC)(C(=O)OC)CC[C@H]1O

dimethyl (3S,4R)-4-hydroxy-3-[(E)-prop-1-enyl]cyclohexane-1,1-dicarboxylate

NC(=O)C(NCC1(Sc2ccc(Br)cc2)CC1)c1cccc(Br)c1

2-(3-bromophenyl)-2-[[1-(4-bromophenyl)sulfanylcyclopropyl]methylamino]acetamide

CCNC(CC)Cc1nc(C2(OC)CCC2)no1

N-ethyl-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

CCc1ccc(CNC(=O)c2cc(C)cc(N)c2)s1

3-amino-N-[(5-ethylthiophen-2-yl)methyl]-5-methylbenzamide

Cc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](c3ccc4c(c3)OCO4)C2)o1

(2S,6R)-2-(1,3-benzodioxol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-phenylmorpholine

CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC/C=C\CCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCC

[(Z)-27-(1,3-dihydroxynonadecan-2-ylamino)-27-oxoheptacos-15-enyl] (13Z,16Z)-docosa-13,16-dienoate

CN(C)c1n[nH]c(CN)n1

5-(aminomethyl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine

CNC1CCCN(C(=O)c2cc(C3CC3)n(C)n2)C1.Cl

(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

CN=C1N(C)CCCN1C

N,1,3-trimethyl-1,3-diazinan-2-imine

CCCOc1cccc2c1NC(=O)C(C)(C)N2CC

4-ethyl-3,3-dimethyl-8-propoxy-1H-quinoxalin-2-one

CC(C)Nc1ncc(F)cc1F

3,5-difluoro-N-propan-2-ylpyridin-2-amine

C=CN/C(C)=C(\N)C(C)=CN=CN

N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide

CCOc1ccc(Br)cc1Cc1sc(=S)[nH]c1O

5-[(5-bromo-2-ethoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazole-2-thione

CCS(=O)(=O)Oc1cc(CNC2CC2)ccc1OC

[5-[(cyclopropylamino)methyl]-2-methoxyphenyl] ethanesulfonate

CC(NC(=O)C=Cc1ccc(F)cc1F)c1cccc(N2CCOCC2)c1

3-(2,4-difluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide

Nc1c(S(=O)(=O)O)cc2cc(OS)cc(O)c2c1N=Nc1ccc(Nc2nc(Cl)nc(NCCNc3nc(Cl)nc(Nc4ccc(N=Nc5c(N)c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(O)c56)c(S(=O)(=O)O)c4)n3)n2)cc1S(=O)(=O)O

3-amino-4-[[4-[[4-[2-[[4-[4-[(2-amino-8-hydroxy-6-sulfanyloxy-3-sulfonaphthalen-1-yl)diazenyl]-3-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]ethylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid

O=C(CN1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1)Nc1ccc(Cl)cc1

N-(4-chlorophenyl)-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

C=C(C)[C@@H]1CC[C@]2([C@H](O)C#CCN3CCCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12.Cl

(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-[(1S)-1-hydroxy-4-pyrrolidin-1-ylbut-2-ynyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one;hydrochloride

Brc1c2ccc(-c3c4ccccc4c(-c4ccc5c(Br)c6cc(-c7ccccc7)ccc6c(Br)c5c4)c4ccccc34)cc2c(Br)c2ccc(-c3ccccc3)cc12

9,10-dibromo-2-[10-(9,10-dibromo-6-phenylanthracen-2-yl)anthracen-9-yl]-6-phenylanthracene

Cc1cccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1

6-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

C#C[C@@](O)([C@H](O)[C@@H](COP(=O)(N[C@@H](C)C(=O)OC1CCCCC1)Oc1ccccc1)OC)n1ccc(=O)[nH]c1=O

cyclohexyl (2S)-2-[[[(2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-methoxyhex-5-ynoxy]-phenoxyphosphoryl]amino]propanoate

O=C1C=CCc2ccccc21

4H-naphthalen-1-one

Cc1cc(CN=C(NCCCN2CCOCC2)NCc2nnc(C)n2C)ccc1F.I

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-[(4-fluoro-3-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

Cn1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)n1

[(6S)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylpyrazol-3-yl)methanone

CC(=O)Nc1ccc(S(=O)(=O)N(N2CC(C)=NNC2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.CC1=NNC(=O)N(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)C1.CC1=NNC(=O)N(N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1.CC1=NNC(=O)N(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)C1

N-[4-[(4-acetamidophenyl)sulfonyl-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)sulfamoyl]phenyl]acetamide;N-(benzenesulfonyl)-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzenesulfonamide;4-methyl-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-N-(4-methylphenyl)sulfonylbenzenesulfonamide;N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)-4-nitro-N-(4-nitrophenyl)sulfonylbenzenesulfonamide

CCOC(=O)C(C)CC(=O)CC

ethyl 2-methyl-4-oxohexanoate

OCC(O)C(O)c1cc2ccccc2o1

1-(1-benzofuran-2-yl)propane-1,2,3-triol

NC(c1ccc(C2CCC2)cc1)c1ccc2c(c1)COC2

(4-cyclobutylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine

CCNC(=NCc1ccc(S(=O)(=O)NCCOC)cc1)NCc1ccc(F)cc1

1-ethyl-3-[(4-fluorophenyl)methyl]-2-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine

CCC[C@@](O)([C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](CCc3ccccc3)C[C@]12C)[C@H]1O[C@@H]1[C@](C)(O)C(C)(C)CCC1=CCNC(N)=C1

(3S,5R,9R,10R,11R,13R,14S,17S)-17-[(1R)-1-[(2S,3S)-3-[(2R)-5-(6-amino-1,2-dihydropyridin-4-yl)-2-hydroxy-3,3-dimethylpentan-2-yl]oxiran-2-yl]-1-hydroxybutyl]-3,14-dihydroxy-10,13-dimethyl-11-(2-phenylethyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

O=C(NCc1cn2cc(CNCC3COC3)ccc2n1)c1cc(=O)n2ccccc2n1

N-[[6-[(oxetan-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

CC(CN(C(=O)NC1CCC(C(=O)O)CC1)[C@@H](C)CO)c1ccccc1

4-[[[(2S)-1-hydroxypropan-2-yl]-(2-phenylpropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

CCCCN(CCCC)[C@H](C(=O)O[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)OC(C)C)c1ccccc1

propan-2-yl (2S,3R)-2-benzamido-3-[(2S)-2-(dibutylamino)-2-phenylacetyl]oxybutanoate

CCc1oc2ccccc2c1CN(C)c1cncc(C(N)=O)n1

6-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]pyrazine-2-carboxamide

CC(C)C(C)(O)CNC(=O)Cc1csc(Cc2ccccc2)n1

2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide

C=CC(=O)N1Cc2sc3ncnc(N[C@H](C(=O)O)c4ccccc4)c3c2C1

(2S)-2-phenyl-2-[(4-prop-2-enoyl-7-thia-4,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]acetic acid

O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(SCc2cccnc2)cc1

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide

C=C(C)SC(=CC)CNC(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cn1

5-[[(3-cyanobenzoyl)amino]methyl]-N-(2-prop-1-en-2-ylsulfanylbut-2-enyl)pyridine-2-carboxamide

CCC1(C(C)CCOC)CCCN1

2-ethyl-2-(4-methoxybutan-2-yl)pyrrolidine