AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-2

SMILES stringlengths 2 859	IUPAC stringlengths 6 1.34k
COc1cc(/C=C/c2ncc(-c3ccc(Cl)cc3Cl)[nH]2)ccc1-c1ccccc1	5-(2,4-dichlorophenyl)-2-[(E)-2-(3-methoxy-4-phenylphenyl)ethenyl]-1H-imidazole
Cc1c(C(=O)N(C)C)sc2ncnc(NCc3ccco3)c12	4-(furan-2-ylmethylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CC(C)(C)c1ccc(CC(=O)N2CCC(=O)CC2)cc1	1-[2-(4-tert-butylphenyl)acetyl]piperidin-4-one
CN(C)CCNCCOCc1ccccc1Cl	N-[2-[(2-chlorophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
COc1ccc(C)cc1CN(C)CCC(N)C(C)C	1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
COCCS(=O)(=O)N(C)c1ccccc1C(N)=S	2-[2-methoxyethylsulfonyl(methyl)amino]benzenecarbothioamide
COc1c(C)c(C)c(Br)c(C)c1NC(=O)CC(C)N	3-amino-N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butanamide
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3s2)c1	N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
O=C(O[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1	[(3R)-1,1-dioxothiolan-3-yl] (1S,2R)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
O=C(NCc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21	N-benzyl-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide
CC(C)(C(=O)O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.COC(=O)C(C)(C)Br.COC(=O)C(C)(C)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.Cl.Nc1nnc(-c2ccccc2O)cc1N1CCNCC1	2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropanoic acid;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;methyl 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropanoate;methyl 2-bromo-2-methylpropanoate;hydrochloride
CCn1c(=O)c(-c2ccnn2-c2ccc(C#N)cc2F)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O	4-[5-[1-ethyl-4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-3-fluorobenzonitrile
CC.CC.CC=O.CC=O.CN.CN.CN.CN.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC	acetaldehyde;1,3-dimethylurea;ethane;methanamine;methylimino(oxo)methane
CC(N)C1CCN(C(=O)c2cn(C)cn2)CC1	[4-(1-aminoethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
COc1cc(OC)c(C2SCCN2C(=O)COc2ccc(Cl)cc2)cc1OC	2-(4-chlorophenoxy)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
COc1cc(NS(=O)(=O)c2ccc(CN)cc2)ccc1Br	4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
Cc1cnc(NCCOc2cccc(F)c2)s1	N-[2-(3-fluorophenoxy)ethyl]-5-methyl-1,3-thiazol-2-amine
C=C(C)C(=O)NC1=CCN(c2ccccc2)[N+]1=O	2-methyl-N-(1-oxo-2-phenyl-3H-pyrazol-1-ium-5-yl)prop-2-enamide
Cc1ccccc1Nc1ncnc(NCCC2=CCCCC2)c1N	6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc1ccc2cnccc2c1)NC(=O)C1CCC(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O	(2S)-2-[[(1S)-1-carboxy-5-[[(2R)-3-isoquinolin-6-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CC/C=C\C/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\C/C=C\CC)CC(=O)CCCN(C)C	(15Z,18Z,21Z)-1-(dimethylamino)-6-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]tetracosa-15,18,21-trien-4-one
Cc1cc(OCC(=O)NC[C@@H](O)c2ccccc2)ccc1Cl	2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
COc1ccc(N)c(NC2(C)CCC2)c1	4-methoxy-2-N-(1-methylcyclobutyl)benzene-1,2-diamine
C=C(/C=C(C(=O)O)\C(O)=C/C)c1cc(C#N)c(OCc2ccccc2)c(OCCC)c1	(2E)-4-(3-cyano-4-phenylmethoxy-5-propoxyphenyl)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CCOC(=O)c1c(C)[nH]c(C(=O)NC(C)COC)c1C	ethyl 5-(1-methoxypropan-2-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Cc1cccc(-c2cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)c2)c1	6-[3-[3-[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-5-(3-methylphenyl)phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
O=C1NC(=Nc2cccc(Cl)c2)C(=Cc2cccnc2)S1	4-(3-chlorophenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CCC(NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(OC)cc1	2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
Clc1ccc(CCC(Cn2ccnc2)Oc2ccc(N3CCCC3)cc2)c(Cl)c1	1-[4-(2,4-dichlorophenyl)-2-(4-pyrrolidin-1-ylphenoxy)butyl]imidazole
Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCc3cccs3)n(C)c2C)ccc1F	N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide
Cl.OC1CCN(C2=NCCCN2)CC1	1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-4-ol;hydrochloride
Cc1ccc2c(c1)CN(c1cccc(-c3ccc(C(N)=O)c4[nH]c5cc(C(O)CO)ccc5c34)c1C)C2=O	7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazole-1-carboxamide
CCCCCS(C)(C)OP(=O)(F)OS(C)(C)CCCCC	[[dimethyl(pentyl)-λ4-sulfanyl]oxy-fluorophosphoryl]oxy-dimethyl-pentyl-λ4-sulfane
CCC1(CC)CCN(C2CS(=O)(=O)CC2N)CC1	4-(4,4-diethylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
O=C(COc1ccccc1F)OCc1nc2ccccc2n1C(F)F	[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(2-fluorophenoxy)acetate
COc1c(CN2O[C@@H](CO)[C@@H](CO)[C@H]2C(N)=O)cccc1-c1cc(C(=O)NC(Cc2ccccc2)CN(C)C)cc(N2CCC[C@@H]2CO)c1	(3S,4R,5R)-2-[[3-[3-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-2-methoxyphenyl]methyl]-4,5-bis(hydroxymethyl)-1,2-oxazolidine-3-carboxamide
CCOC(=O)c1[nH]c2c(C3=C(CO)N(C)CN3COc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccc2c1CCCOc1cccc2ccccc12	ethyl 7-[5-(hydroxymethyl)-1-methyl-3-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenoxy]methyl]-2H-imidazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylate
Cc1nccn1C1(C(=O)O)CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1	4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid
Cn1ccnc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(C3CCOC3)c2=O)c(Cl)c1	6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CCCCc1nc2ccc(NCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2OC(=O)OCC)cc1	[2-[4-[[6-(benzylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]phenyl] ethyl carbonate
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(Cl)cccc1Cl	(2S)-2-[(3,4-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide
CCc1ccnc(N/C(C)=C/C(/C=C\NC)=C(/C=O)C(C)Nc2ccc(CCN3CCN(CC)CC3)cc2)c1	(2E,4E)-2-[1-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]ethyl]-5-[(4-ethylpyridin-2-yl)amino]-3-[(Z)-2-(methylamino)ethenyl]hexa-2,4-dienal
CCNc1ncc(F)c(Oc2ccc(F)cc2Br)n1	4-(2-bromo-4-fluorophenoxy)-N-ethyl-5-fluoropyrimidin-2-amine
Cc1cccc(-c2nc(COc3ccc(CC(OC(C)C)C(=O)O)cc3)no2)c1	3-[4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]-2-propan-2-yloxypropanoic acid
CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)nc2)c1	N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-6-phenoxypyridine-3-carboxamide
COc1ccc(N(c2ccccc2)C2CCCCC2)cc1	N-cyclohexyl-4-methoxy-N-phenylaniline
CN1CCC=C(C2(OCCCO)C=NSN2)C1	3-[[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2H-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol
CCCCC(C)(C)COC(=O)c1ccccc1C(=O)O	2-(2,2-dimethylhexoxycarbonyl)benzoic acid
CC(NC(=O)NCC(C)(O)c1ccccc1)c1ccncc1	1-(2-hydroxy-2-phenylpropyl)-3-(1-pyridin-4-ylethyl)urea
CC1CCC(C(C)C(CO)CO)CC1CO	2-[1-[3-(hydroxymethyl)-4-methylcyclohexyl]ethyl]propane-1,3-diol
CNC(CCCCCC(=O)CCOCCOCCC(C)=O)C(C)=O	3-(methylamino)-11-[2-(3-oxobutoxy)ethoxy]undecane-2,9-dione
[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C3CC3)n2)ccn1	N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyanopyridin-4-yl)-6-propan-2-ylphenyl]acetamide
CCCCc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1	N-(4-butylphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1	[3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1	(4S)-1-(3-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide
COc1c(CC(O)C(C)(C)O)cc2ccc(=O)oc2c1CC(O)C(C)(C)O	6,8-bis(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(-c7ccccc7)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5C(C)C)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt].[Pt].[Pt].[Pt]	9-[4-(2,6-dimethylphenyl)pyridin-2-yl]-2-[9-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)pyridin-2-yl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)pyridin-2-yl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)pyridin-2-yl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide
COc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1Cl	N-(3-chloro-4-methoxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
COc1cc(CN2CCN(c3ccc(O)cc3)CC2)nc(-c2ccccc2)n1	4-[4-[(6-methoxy-2-phenylpyrimidin-4-yl)methyl]piperazin-1-yl]phenol
Cc1ccc(C(C)C)c(N2/C(=N/C(=O)NC(C#N)c3ccc(-c4ncn(-c5ccc(OC(F)(F)F)cc5)n4)cc3)SCCC2C)c1	(3Z)-1-[cyano-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]-3-[4-methyl-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazinan-2-ylidene]urea
CCOc1ccc(CCCCN2C(=O)O/C(=C/c3cc4c5c(c3)CCCN5CCC4)C2=O)cc1.CCn1c2ccccc2c2cc(/C=C3/OC(=O)N(CCc4ccc(OC)cc4)C3=O)ccc21.COc1ccc(CCN2C(=O)/C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)OC2=S)c(OC)c1.COc1ccc(CCN2C(=O)O/C(=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2=O)cc1.COc1ccc(CCN2C(=O)O/C(=C/c3ccc4c(c3)c3ccccc3n4-c3ccccc3)C2=O)cc1.COc1ccccc1CCN1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1=S	(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-[4-(4-ethoxyphenyl)butyl]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(2,4-dimethoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(4-methoxyphenyl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(2-methoxyphenyl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1	(2R)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CCc1nn(-c2cccc(-c3cc(C)ccc3-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)n2)c(C(F)(F)F)c1C(=O)O	3-ethyl-1-[6-[5-methyl-2-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
C[NH+](CC(=O)c1cccs1)C1CCCCC1	cyclohexyl-methyl-(2-oxo-2-thiophen-2-ylethyl)azanium
O=C(OC1C(O)OC(CO)C1F)c1ccccc1	[4-fluoro-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate
C#Cc1cccc2cccc(-c3ncc4c(N(C)[C@H]5CN(C(=O)/C(F)=C/c6nccs6)C[C@H]5F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12	(Z)-1-[(3S,4R)-3-[[7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-methylamino]-4-fluoropyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one
CN(C(=O)CN1CCCC1c1cccc2c1OCCO2)C1CC1	N-cyclopropyl-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-methylacetamide
Cc1cnc(N)c(C(=O)c2csc(CN)n2)c1	(2-amino-5-methylpyridin-3-yl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone
CCOC(=O)c1sc(NC(=O)c2ccc(=O)oc2)cc1C	ethyl 3-methyl-5-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
Cc1cc(NC(=O)CSCc2ccccc2)ccc1NC(=O)c1ccco1	N-[4-[(2-benzylsulfanylacetyl)amino]-2-methylphenyl]furan-2-carboxamide
CCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cccc(C(=O)O)c1	3-[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid
CN=C(NCC1CC(=O)Nc2ccccc21)NCC(C)(C)N1CC(C)OC(C)C1.I	1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide
O=S(=O)(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1	4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzenesulfonamide
COc1cc2c(cc1OC)CN(C(=O)C1Cc3cc(N([O-])O)ccc3N3CC4CC(Cn5c4cccc5=O)C13)CC2	3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-[hydroxy(oxido)amino]-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaen-18-one
Cc1nc2ncnc(NCc3cccc(C(F)(F)C(C)C)c3)c2cc1C1(C#N)CC1	1-[4-[[3-(1,1-difluoro-2-methylpropyl)phenyl]methylamino]-7-methylpyrido[2,3-d]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CCN(CCOC(=O)C(C)=O)c1ccc(N=Nc2ccc(C#N)cc2)cc1	2-[4-[(4-cyanophenyl)diazenyl]-N-ethylanilino]ethyl 2-oxopropanoate
CCCCCN(c1c(C=O)c(C)nn1C)C(C)C	1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbaldehyde
C=C1NC(C)C(c2cc(C)nn2C)O1	5-(2,5-dimethylpyrazol-3-yl)-4-methyl-2-methylidene-1,3-oxazolidine
O=C1CCCn2c1c(/C=C/c1ccccc1)c1ccccc12	10-[(E)-2-phenylethenyl]-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1OC	5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
COc1cc(C)ccc1C(C)NCCCOC(C)C	N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CCN1CCCC(C(C)Nc2c(C)nn(C)c2C)C1	N-[1-(1-ethylpiperidin-3-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CNC1CCCN(Cc2ccc(-c3ccccc3OC)cc2)C1	1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-methylpiperidin-3-amine
COc1cc(C(=O)NNC(=S)NCCc2ccccc2)ccc1OC(C)C	1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-(2-phenylethyl)thiourea
C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(C#CC5CC5)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CF)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C.CSCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(C#CCl)CC[C@@H]4[C@H]3CC[C@]12C.CSCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C	1-[(3S,5R,8R,9R,10S,13S,14S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfanylethanone;(3S,5R,8R,9R,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(3S,5R,8R,9R,10S,13S,14S,17S)-3-(difluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfanylethanone;(3S,5R,8R,9R,10S,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5R,8R,9R,10S,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
COc1ccc(C)cc1N1C(=O)CSC1c1ccc(NC(=O)C(Cl)c2ccccc2)cc1	2-chloro-N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
[CH2-]COC(=O)CCC/C=C\C[C@@H]1[C@@H](COc2cccc(C=O)c2)[C@H](O)C[C@H]1Cl.[Y]	ethyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-2-[(3-formylphenoxy)methyl]-3-hydroxycyclopentyl]hept-5-enoate;yttrium
CC1C=CN(C)N1c1ccccc1	1,3-dimethyl-2-phenyl-3H-pyrazole
CCC(CNC(=O)C1(OC)CCNCC1)c1ccccc1.Cl	4-methoxy-N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCCc3ccccc3)c2)s1	N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]-4-phenylbutanamide
CCN(CC)c1ccc(C2/C(=C(/O)c3ccc(Cl)c(Cl)c3)C(=O)C(=O)N2CC2CCCO2)cc1	(4Z)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CCn1nccc1C1(F)CCCNCC1	4-(2-ethylpyrazol-3-yl)-4-fluoroazepane
Cc1cnc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cn1	5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
OC1CC(NCC2Cc3cc(F)ccc3O2)C1	3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclobutan-1-ol
CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(C)cc2)C1	(6S)-2-amino-6-(2-methylbutan-2-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C.C.C.CN(CCO)CCN(C)CCN(CCO)CCN(C)CCN(CCO)CCN(CCO)CCN(CCN(C)CCO)CCN(CCN(C)CCO)CCN(C)CCO.CN(CCO)CCN(C)CCO	2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
Cc1ccccc1C(O)C(O)C(C)(C)C	3,3-dimethyl-1-(2-methylphenyl)butane-1,2-diol
CCCCSc1nc(I)cnc1OCC[N+](C)(C)C	2-(3-butylsulfanyl-5-iodopyrazin-2-yl)oxyethyl-trimethylazanium
N#Cc1ccccc1C(=O)NCCc1ccccc1	2-cyano-N-(2-phenylethyl)benzamide
CCOC(CC)C(N)Cc1c(Br)c(C)nn1CC	1-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)-3-ethoxypentan-2-amine

COc1cc(/C=C/c2ncc(-c3ccc(Cl)cc3Cl)[nH]2)ccc1-c1ccccc1

5-(2,4-dichlorophenyl)-2-[(E)-2-(3-methoxy-4-phenylphenyl)ethenyl]-1H-imidazole

Cc1c(C(=O)N(C)C)sc2ncnc(NCc3ccco3)c12

4-(furan-2-ylmethylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

CC(C)(C)c1ccc(CC(=O)N2CCC(=O)CC2)cc1

1-[2-(4-tert-butylphenyl)acetyl]piperidin-4-one

CN(C)CCNCCOCc1ccccc1Cl

N-[2-[(2-chlorophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine

COc1ccc(C)cc1CN(C)CCC(N)C(C)C

1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine

COCCS(=O)(=O)N(C)c1ccccc1C(N)=S

2-[2-methoxyethylsulfonyl(methyl)amino]benzenecarbothioamide

COc1c(C)c(C)c(Br)c(C)c1NC(=O)CC(C)N

3-amino-N-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butanamide

CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3s2)c1

N-(1,3-benzothiazol-2-yl)-2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide

O=C(O[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1

[(3R)-1,1-dioxothiolan-3-yl] (1S,2R)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate

O=C(NCc1ccccc1)c1cc2c(cn1)CC1(C2)C(=O)Nc2ncccc21

N-benzyl-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[c]pyridine]-3'-carboxamide

CC(C)(C(=O)O)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.COC(=O)C(C)(C)Br.COC(=O)C(C)(C)N1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.Cl.Nc1nnc(-c2ccccc2O)cc1N1CCNCC1

2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropanoic acid;2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;methyl 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropanoate;methyl 2-bromo-2-methylpropanoate;hydrochloride

CCn1c(=O)c(-c2ccnn2-c2ccc(C#N)cc2F)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

4-[5-[1-ethyl-4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-3-fluorobenzonitrile

CC.CC.CC=O.CC=O.CN.CN.CN.CN.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CN=C=O.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC.CNC(=O)NC

acetaldehyde;1,3-dimethylurea;ethane;methanamine;methylimino(oxo)methane

CC(N)C1CCN(C(=O)c2cn(C)cn2)CC1

[4-(1-aminoethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone

COc1cc(OC)c(C2SCCN2C(=O)COc2ccc(Cl)cc2)cc1OC

2-(4-chlorophenoxy)-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

COc1cc(NS(=O)(=O)c2ccc(CN)cc2)ccc1Br

4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide

Cc1cnc(NCCOc2cccc(F)c2)s1

N-[2-(3-fluorophenoxy)ethyl]-5-methyl-1,3-thiazol-2-amine

C=C(C)C(=O)NC1=CCN(c2ccccc2)[N+]1=O

2-methyl-N-(1-oxo-2-phenyl-3H-pyrazol-1-ium-5-yl)prop-2-enamide

Cc1ccccc1Nc1ncnc(NCCC2=CCCCC2)c1N

6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine

O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc1ccc2cnccc2c1)NC(=O)C1CCC(CNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1)C(=O)O)C(=O)O

(2S)-2-[[(1S)-1-carboxy-5-[[(2R)-3-isoquinolin-6-yl-2-[[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

CC/C=C\C/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\C/C=C\CC)CC(=O)CCCN(C)C

(15Z,18Z,21Z)-1-(dimethylamino)-6-[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl]tetracosa-15,18,21-trien-4-one

Cc1cc(OCC(=O)NC[C@@H](O)c2ccccc2)ccc1Cl

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide

COc1ccc(N)c(NC2(C)CCC2)c1

4-methoxy-2-N-(1-methylcyclobutyl)benzene-1,2-diamine

C=C(/C=C(C(=O)O)\C(O)=C/C)c1cc(C#N)c(OCc2ccccc2)c(OCCC)c1

(2E)-4-(3-cyano-4-phenylmethoxy-5-propoxyphenyl)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid

CCOC(=O)c1c(C)[nH]c(C(=O)NC(C)COC)c1C

ethyl 5-(1-methoxypropan-2-ylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Cc1cccc(-c2cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)cc(-c3cccc(-c4nc5ccccc5c5nc6ccccc6n45)c3)c2)c1

6-[3-[3-[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]-5-(3-methylphenyl)phenyl]phenyl]benzimidazolo[1,2-c]quinazoline

O=C1NC(=Nc2cccc(Cl)c2)C(=Cc2cccnc2)S1

4-(3-chlorophenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one

CCC(NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(OC)cc1

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide

Clc1ccc(CCC(Cn2ccnc2)Oc2ccc(N3CCCC3)cc2)c(Cl)c1

1-[4-(2,4-dichlorophenyl)-2-(4-pyrrolidin-1-ylphenoxy)butyl]imidazole

Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NCCc3cccs3)n(C)c2C)ccc1F

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-thiophen-2-ylethylamino)acetyl]pyrrole-3-carboxamide

Cl.OC1CCN(C2=NCCCN2)CC1

1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-4-ol;hydrochloride

Cc1ccc2c(c1)CN(c1cccc(-c3ccc(C(N)=O)c4[nH]c5cc(C(O)CO)ccc5c34)c1C)C2=O

7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(6-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazole-1-carboxamide

CCCCCS(C)(C)OP(=O)(F)OS(C)(C)CCCCC

[[dimethyl(pentyl)-λ4-sulfanyl]oxy-fluorophosphoryl]oxy-dimethyl-pentyl-λ4-sulfane

CCC1(CC)CCN(C2CS(=O)(=O)CC2N)CC1

4-(4,4-diethylpiperidin-1-yl)-1,1-dioxothiolan-3-amine

O=C(COc1ccccc1F)OCc1nc2ccccc2n1C(F)F

[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(2-fluorophenoxy)acetate

COc1c(CN2O[C@@H](CO)[C@@H](CO)[C@H]2C(N)=O)cccc1-c1cc(C(=O)NC(Cc2ccccc2)CN(C)C)cc(N2CCC[C@@H]2CO)c1

(3S,4R,5R)-2-[[3-[3-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-2-methoxyphenyl]methyl]-4,5-bis(hydroxymethyl)-1,2-oxazolidine-3-carboxamide

CCOC(=O)c1[nH]c2c(C3=C(CO)N(C)CN3COc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccc2c1CCCOc1cccc2ccccc12

ethyl 7-[5-(hydroxymethyl)-1-methyl-3-[[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenoxy]methyl]-2H-imidazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylate

Cc1nccn1C1(C(=O)O)CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1

4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid

Cn1ccnc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CNCCS5)cc4)nc3n(C3CCOC3)c2=O)c(Cl)c1

6-[2,6-dichloro-4-(1-methylimidazol-2-yl)phenyl]-8-(oxolan-3-yl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

CCCCc1nc2ccc(NCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2OC(=O)OCC)cc1

[2-[4-[[6-(benzylamino)-2-butylbenzimidazol-1-yl]methyl]phenyl]phenyl] ethyl carbonate

CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(Cl)cccc1Cl

(2S)-2-[(3,4-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methyl-3-phenylpropanamide

CCc1ccnc(N/C(C)=C/C(/C=C\NC)=C(/C=O)C(C)Nc2ccc(CCN3CCN(CC)CC3)cc2)c1

(2E,4E)-2-[1-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]ethyl]-5-[(4-ethylpyridin-2-yl)amino]-3-[(Z)-2-(methylamino)ethenyl]hexa-2,4-dienal

CCNc1ncc(F)c(Oc2ccc(F)cc2Br)n1

4-(2-bromo-4-fluorophenoxy)-N-ethyl-5-fluoropyrimidin-2-amine

Cc1cccc(-c2nc(COc3ccc(CC(OC(C)C)C(=O)O)cc3)no2)c1

3-[4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]-2-propan-2-yloxypropanoic acid

CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)nc2)c1

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-6-phenoxypyridine-3-carboxamide

COc1ccc(N(c2ccccc2)C2CCCCC2)cc1

N-cyclohexyl-4-methoxy-N-phenylaniline

CN1CCC=C(C2(OCCCO)C=NSN2)C1

3-[[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-2H-1,2,5-thiadiazol-3-yl]oxy]propan-1-ol

CCCCC(C)(C)COC(=O)c1ccccc1C(=O)O

2-(2,2-dimethylhexoxycarbonyl)benzoic acid

CC(NC(=O)NCC(C)(O)c1ccccc1)c1ccncc1

1-(2-hydroxy-2-phenylpropyl)-3-(1-pyridin-4-ylethyl)urea

CC1CCC(C(C)C(CO)CO)CC1CO

2-[1-[3-(hydroxymethyl)-4-methylcyclohexyl]ethyl]propane-1,3-diol

CNC(CCCCCC(=O)CCOCCOCCC(C)=O)C(C)=O

3-(methylamino)-11-[2-(3-oxobutoxy)ethoxy]undecane-2,9-dione

[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(C)N(C)C)n(C3CC3)n2)ccn1

N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyanopyridin-4-yl)-6-propan-2-ylphenyl]acetamide

CCCCc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1

N-(4-butylphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1

[3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1

(4S)-1-(3-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-5-oxo-4H-pyrazole-4-carboxamide

COc1c(CC(O)C(C)(C)O)cc2ccc(=O)oc2c1CC(O)C(C)(C)O

6,8-bis(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one

CC(C)c1ccccc1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(-c7ccccc7)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(C(C)C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(C4(c5[c-]c(-n6[cH+]n(C)c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5C(C)C)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt].[Pt].[Pt].[Pt]

9-[4-(2,6-dimethylphenyl)pyridin-2-yl]-2-[9-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;9-[4-(2,6-dimethylphenyl)pyridin-2-yl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;2-[9-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)pyridin-2-yl]-1H-carbazol-1-ide;platinum;9-[4-(2-propan-2-ylphenyl)pyridin-2-yl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide

COc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1Cl

N-(3-chloro-4-methoxyphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

COc1cc(CN2CCN(c3ccc(O)cc3)CC2)nc(-c2ccccc2)n1

4-[4-[(6-methoxy-2-phenylpyrimidin-4-yl)methyl]piperazin-1-yl]phenol

Cc1ccc(C(C)C)c(N2/C(=N/C(=O)NC(C#N)c3ccc(-c4ncn(-c5ccc(OC(F)(F)F)cc5)n4)cc3)SCCC2C)c1

(3Z)-1-[cyano-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methyl]-3-[4-methyl-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazinan-2-ylidene]urea

CCOc1ccc(CCCCN2C(=O)O/C(=C/c3cc4c5c(c3)CCCN5CCC4)C2=O)cc1.CCn1c2ccccc2c2cc(/C=C3/OC(=O)N(CCc4ccc(OC)cc4)C3=O)ccc21.COc1ccc(CCN2C(=O)/C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)OC2=S)c(OC)c1.COc1ccc(CCN2C(=O)O/C(=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)C2=O)cc1.COc1ccc(CCN2C(=O)O/C(=C/c3ccc4c(c3)c3ccccc3n4-c3ccccc3)C2=O)cc1.COc1ccccc1CCN1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1=S

(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-[4-(4-ethoxyphenyl)butyl]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(2,4-dimethoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(9-ethylcarbazol-3-yl)methylidene]-3-[2-(4-methoxyphenyl)ethyl]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(4-methoxyphenyl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidine-2,4-dione;(5E)-3-[2-(2-methoxyphenyl)ethyl]-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1

(2R)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide

CCc1nn(-c2cccc(-c3cc(C)ccc3-c3ccc(OS(=O)(=O)C(F)(F)F)cc3)n2)c(C(F)(F)F)c1C(=O)O

3-ethyl-1-[6-[5-methyl-2-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl]pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C[NH+](CC(=O)c1cccs1)C1CCCCC1

cyclohexyl-methyl-(2-oxo-2-thiophen-2-ylethyl)azanium

O=C(OC1C(O)OC(CO)C1F)c1ccccc1

[4-fluoro-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate

C#Cc1cccc2cccc(-c3ncc4c(N(C)[C@H]5CN(C(=O)/C(F)=C/c6nccs6)C[C@H]5F)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12

(Z)-1-[(3S,4R)-3-[[7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-methylamino]-4-fluoropyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one

CN(C(=O)CN1CCCC1c1cccc2c1OCCO2)C1CC1

N-cyclopropyl-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-methylacetamide

Cc1cnc(N)c(C(=O)c2csc(CN)n2)c1

(2-amino-5-methylpyridin-3-yl)-[2-(aminomethyl)-1,3-thiazol-4-yl]methanone

CCOC(=O)c1sc(NC(=O)c2ccc(=O)oc2)cc1C

ethyl 3-methyl-5-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate

Cc1cc(NC(=O)CSCc2ccccc2)ccc1NC(=O)c1ccco1

N-[4-[(2-benzylsulfanylacetyl)amino]-2-methylphenyl]furan-2-carboxamide

CCC(Sc1nc(-c2ccccc2)ccc1C#N)C(=O)Nc1cccc(C(=O)O)c1

3-[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid

CN=C(NCC1CC(=O)Nc2ccccc21)NCC(C)(C)N1CC(C)OC(C)C1.I

1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide

O=S(=O)(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1

4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzenesulfonamide

COc1cc2c(cc1OC)CN(C(=O)C1Cc3cc(N([O-])O)ccc3N3CC4CC(Cn5c4cccc5=O)C13)CC2

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-[hydroxy(oxido)amino]-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaen-18-one

Cc1nc2ncnc(NCc3cccc(C(F)(F)C(C)C)c3)c2cc1C1(C#N)CC1

1-[4-[[3-(1,1-difluoro-2-methylpropyl)phenyl]methylamino]-7-methylpyrido[2,3-d]pyrimidin-6-yl]cyclopropane-1-carbonitrile

CCN(CCOC(=O)C(C)=O)c1ccc(N=Nc2ccc(C#N)cc2)cc1

2-[4-[(4-cyanophenyl)diazenyl]-N-ethylanilino]ethyl 2-oxopropanoate

CCCCCN(c1c(C=O)c(C)nn1C)C(C)C

1,3-dimethyl-5-[pentyl(propan-2-yl)amino]pyrazole-4-carbaldehyde

C=C1NC(C)C(c2cc(C)nn2C)O1

5-(2,5-dimethylpyrazol-3-yl)-4-methyl-2-methylidene-1,3-oxazolidine

O=C1CCCn2c1c(/C=C/c1ccccc1)c1ccccc12

10-[(E)-2-phenylethenyl]-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one

COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1OC

5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

COc1cc(C)ccc1C(C)NCCCOC(C)C

N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine

CCN1CCCC(C(C)Nc2c(C)nn(C)c2C)C1

N-[1-(1-ethylpiperidin-3-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine

CNC1CCCN(Cc2ccc(-c3ccccc3OC)cc2)C1

1-[[4-(2-methoxyphenyl)phenyl]methyl]-N-methylpiperidin-3-amine

COc1cc(C(=O)NNC(=S)NCCc2ccccc2)ccc1OC(C)C

1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-(2-phenylethyl)thiourea

C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(C#CC5CC5)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CF)CC[C@@H]4[C@H]3CC[C@]12C.C=C(Cn1ccnc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(COC)CC[C@@H]4[C@H]3CC[C@]12C.CSCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(C#CCl)CC[C@@H]4[C@H]3CC[C@]12C.CSCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(C(F)F)CC[C@@H]4[C@H]3CC[C@]12C

1-[(3S,5R,8R,9R,10S,13S,14S,17S)-3-(2-chloroethynyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfanylethanone;(3S,5R,8R,9R,10S,13S,14S,17S)-3-(2-cyclopropylethynyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;1-[(3S,5R,8R,9R,10S,13S,14S,17S)-3-(difluoromethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylsulfanylethanone;(3S,5R,8R,9R,10S,13S,14S,17S)-3-(fluoromethyl)-17-(3-imidazol-1-ylprop-1-en-2-yl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol;(3S,5R,8R,9R,10S,13S,14S,17S)-17-(3-imidazol-1-ylprop-1-en-2-yl)-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

COc1ccc(C)cc1N1C(=O)CSC1c1ccc(NC(=O)C(Cl)c2ccccc2)cc1

2-chloro-N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

[CH2-]COC(=O)CCC/C=C\C[C@@H]1[C@@H](COc2cccc(C=O)c2)[C@H](O)C[C@H]1Cl.[Y]

ethyl (Z)-7-[(1R,2S,3R,5R)-5-chloro-2-[(3-formylphenoxy)methyl]-3-hydroxycyclopentyl]hept-5-enoate;yttrium

CC1C=CN(C)N1c1ccccc1

1,3-dimethyl-2-phenyl-3H-pyrazole

CCC(CNC(=O)C1(OC)CCNCC1)c1ccccc1.Cl

4-methoxy-N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride

CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCCc3ccccc3)c2)s1

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]-4-phenylbutanamide

CCN(CC)c1ccc(C2/C(=C(/O)c3ccc(Cl)c(Cl)c3)C(=O)C(=O)N2CC2CCCO2)cc1

(4Z)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-5-[4-(diethylamino)phenyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione

CCn1nccc1C1(F)CCCNCC1

4-(2-ethylpyrazol-3-yl)-4-fluoroazepane

Cc1cnc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)cn1

5-methyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazine-2-carboxamide

OC1CC(NCC2Cc3cc(F)ccc3O2)C1

3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclobutan-1-ol

CCC(C)(C)[C@H]1CCc2c(sc(N)c2C(=O)Nc2ccc(C)cc2)C1

(6S)-2-amino-6-(2-methylbutan-2-yl)-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C.C.C.CN(CCO)CCN(C)CCN(CCO)CCN(C)CCN(CCO)CCN(CCO)CCN(CCN(C)CCO)CCN(CCN(C)CCO)CCN(C)CCO.CN(CCO)CCN(C)CCO

2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane

Cc1ccccc1C(O)C(O)C(C)(C)C

3,3-dimethyl-1-(2-methylphenyl)butane-1,2-diol

CCCCSc1nc(I)cnc1OCC[N+](C)(C)C

2-(3-butylsulfanyl-5-iodopyrazin-2-yl)oxyethyl-trimethylazanium

N#Cc1ccccc1C(=O)NCCc1ccccc1

2-cyano-N-(2-phenylethyl)benzamide

CCOC(CC)C(N)Cc1c(Br)c(C)nn1CC

1-(4-bromo-2-ethyl-5-methylpyrazol-3-yl)-3-ethoxypentan-2-amine