AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-5

SMILES stringlengths 2 1.14k	IUPAC stringlengths 6 3.88k
CNC(=O)C(C(C)C)N(C(=O)C(CCc1ccccc1)C(O)C(O)C(CCc1ccccc1)C(N)=O)C(C(=O)NC)C(C)C	3,4-dihydroxy-N',N'-bis[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2,5-bis(2-phenylethyl)hexanediamide
Cc1cc(C)nc(C(=O)N2CCc3[nH]cnc3C23CCC3)c1	(4,6-dimethylpyridin-2-yl)-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylmethanone
O=C(CC1NNC(O)NC1O)N/N=C/C=C/C1CCCCC1	N-[(E)-[(E)-3-cyclohexylprop-2-enylidene]amino]-2-(3,5-dihydroxy-1,2,4-triazinan-6-yl)acetamide
Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2COCCN2)c1	(3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]morpholine-3-carboxamide
Cc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(NC(=O)Nc3ccccc3F)cn2)CC1	N-(2-chloro-6-methylphenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]pyridin-2-yl]piperazine-1-carboxamide
CN(C)CCCNc1nc(NCCN2CCN(C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1	2-N-[3-(dimethylamino)propyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CCOc1cc(N(C)C)ccc1C=Cc1ccc(C)cc1	3-ethoxy-N,N-dimethyl-4-[2-(4-methylphenyl)ethenyl]aniline
O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCOCCOCCOCCS(=O)(=O)O)c64)C(=O)N(CCOCCOCCOCCS(=O)(=O)O)C5=O	2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-sulfoethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
S=C(Nc1ccc2[nH]ncc2c1)NC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1	1-[(3,4-dichlorophenyl)-[(2S)-piperidin-2-yl]methyl]-3-(1H-indazol-5-yl)thiourea
CCC1CN(Cc2cc(C(CC(=O)Nc3cccnc3)c3ccc(C#N)cc3C)ccc2C)S(O)(O)c2cccnc2O1	3-(4-cyano-2-methylphenyl)-3-[3-[(4-ethyl-1,1-dihydroxy-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl]-4-methylphenyl]-N-pyridin-3-ylpropanamide
N#C[C@@H](N)CC1C(=O)Nc2ccccc21	(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile
OCCCSc1nnc(-c2cccc(Cl)c2)o1	3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-ol
Oc1cccc(C2=Cc3cc4ccc(cc5nc(cc6[nH]c(c(-c7cccc(O)c7)c2n3)c(-c2cccc(O)c2)c6-c2cccc(O)c2)C=C5)[nH]4)c1	3-[17,18,20-tris(3-hydroxyphenyl)-22,24-dihydroporphyrin-2-yl]phenol
COc1ccc(OC(C)C(=O)N[C@H](C)C(=O)O)cc1	(2R)-2-[2-(4-methoxyphenoxy)propanoylamino]propanoic acid
CC(CC1CC1)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1	1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-cyclopropyl-2-methylpropan-1-one
C[C@@H](Nc1ccnc2cnc(N3CC(O)CC3=O)cc12)c1cccc(C(F)F)c1F	1-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-1,7-naphthyridin-6-yl]-4-hydroxypyrrolidin-2-one
CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1	(6S,7S)-8-[4-[(S)-propan-2-ylsulfinyl]benzoyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile
CCn1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1	1-(1-ethylpyrazol-4-yl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CN(C)c1cc(Oc2[c-]cc(C(F)(F)F)cc2)nc(Oc2[c-]cc(C(F)(F)F)cc2)c1.Cc1cc(C)c(N2[CH-]N(C)c3cc(C(F)(F)F)cnc32)[c-]c1N1[CH-]Nc2cc(C(F)(F)F)cnc21.[Ir]	N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;3-[2,4-dimethyl-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-1-methyl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;iridium
CC(=O)N1CC[C@]12CN(Cc1ccccc1)C[C@H]2C(=O)O	(4S,5R)-1-acetyl-7-benzyl-1,7-diazaspiro[3.4]octane-5-carboxylic acid
Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2c3c(sc2n1)CCC3	N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
COc1ccc(C(=O)N2CCCCC2)c([N+](=O)[O-])c1	(4-methoxy-2-nitrophenyl)-piperidin-1-ylmethanone
Cc1ccc(Oc2ccc(OC3CCN(C(=O)Oc4ccc(N5C(=O)C(C(C)C)NC5=S)nc4)CC3)cc2)nc1	[6-(5-oxo-4-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)pyridin-3-yl] 4-[4-(5-methylpyridin-2-yl)oxyphenoxy]piperidine-1-carboxylate
COc1cc(OC)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC	3-(4-nitrophenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CC5)n4)ccc32)cc1	N-[4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2cc3c(cc21)/C(=C(\[N+]#[C-])c1cc(C#N)cc(C#N)c1)C(c1ccc(F)cc1)=C3C#N	5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2-(4-fluorophenyl)-7-isocyano-6-phenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile
C=CCc1cccc(C2C(C=C)=CCC3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)C32C)c1O	2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-ethenyl-7-(2-hydroxy-3-prop-2-enylphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione
FC(F)=CC(F)(Cl)C(F)(F)Cl	3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene
CC(NC(=O)N1CC(C)(OCC(=O)O)C1)c1nn[nH]n1	2-[3-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid
C=C(N/C(=C\C)COc1ccc(C(C)(c2cc(C#N)c(OCCCl)c(CC)c2)C(C)(c2ccc(OCc3[nH]cnc3N(C)OC)cc2)c2cc(Cl)c(OCCCl)c(Cl)c2)cc1)S(=C)(C)=O.CC	2-(2-chloroethoxy)-5-[3-[3,5-dichloro-4-(2-chloroethoxy)phenyl]-3-[4-[[4-[methoxy(methyl)amino]-1H-imidazol-5-yl]methoxy]phenyl]-2-[4-[(Z)-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)ethenylamino]but-2-enoxy]phenyl]butan-2-yl]-3-ethylbenzonitrile;ethane
CN/C(C)=C1\C(=O)c2c(cc(C)c3c2CCCC3=O)C1C1=Cc2nnnn2CCC1	(2Z)-3-(6,7-dihydro-5H-tetrazolo[1,5-a]azepin-8-yl)-5-methyl-2-[1-(methylamino)ethylidene]-3,7,8,9-tetrahydrocyclopenta[a]naphthalene-1,6-dione
C=CC(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O	[(2R,3R,4R,5R,6S)-6-(3,7-dimethylocta-1,6-dien-3-yloxy)-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Cc1cc2ncnc(N3CCN(CCn4nc(-c5cccnc5)ccc4=O)CC3)c2n1C	2-[2-[4-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
[N-]=[N+]=NC1COCC1OC(N)=O	(4-azidooxolan-3-yl) carbamate
COc1ccc(S(=O)(=O)N/N=C/c2ccc(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c([N+](=O)[O-])c2)cc1	(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[4-[(E)-[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]-2-nitrophenyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CCCCCC(=O)c1cc[cH-]c1.[Fe+2].c1cc[cH-]c1	cyclopenta-1,3-diene;1-cyclopenta-1,4-dien-1-ylhexan-1-one;iron(2+)
CC(=O)Oc1csc2cc(OCc3cnc(C)nc3N)ccc12	[6-[(4-amino-2-methylpyrimidin-5-yl)methoxy]-1-benzothiophen-3-yl] acetate
COc1cccc(N(C)C(=O)Oc2ccccc2)n1	phenyl N-(6-methoxypyridin-2-yl)-N-methylcarbamate
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	(2R)-N-tert-butyl-2-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CC(C)(C)OCCN1CCCC(N)C1	1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
CC(c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(N)cc1.Cl	2-(4-aminophenyl)-N-(cyclobutylmethyl)-N-(1-phenylethyl)acetamide;hydrochloride
CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1	ethyl 4-[[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCCCC3)cc21	[(4S)-1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-piperidin-1-ylmethanethione
O=C1CCc2ccc(OCc3cccc(Br)c3)cc2O1	7-[(3-bromophenyl)methoxy]-3,4-dihydrochromen-2-one
CCOC(=O)/C(C#N)=C(/O)C(CC(C)C)OC(C)=O	ethyl (E)-4-acetyloxy-2-cyano-3-hydroxy-6-methylhept-2-enoate
Brc1ccc2c(c1)OC1(CCNCC1)C2.Cl	6-bromospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
COC(=O)[C@H](CS)Nc1ccn(C2O[C@@](CO)(N=[N+]=[N-])C(O)[C@@H]2F)c(=O)n1	methyl (2R)-2-[[1-[(3S,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-3-sulfanylpropanoate
CN(CCO)C1CCN(c2cccc(F)c2)C1	2-[[1-(3-fluorophenyl)pyrrolidin-3-yl]-methylamino]ethanol
COc1ccc(Br)c(CC2CCN(CC3C(=O)N(C)c4ccccc43)CC2)c1	3-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1-methyl-3H-indol-2-one
CC(=O)[C@H](CC=C(C)C)[S@@](=O)c1ccc(C)cc1	(3S)-6-methyl-3-[(R)-(4-methylphenyl)sulfinyl]hept-5-en-2-one
CNCCNCCCNNCCNC	N-methyl-N'-[3-[2-[2-(methylamino)ethyl]hydrazinyl]propyl]ethane-1,2-diamine
C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(F)cc2)o1	2-[(1S)-1-(4-fluorophenoxy)ethyl]-5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)cc1	8-(4-methylsulfonylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
C=C1C=CC(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)=CN1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)C3=CCN=C3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cccnc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccn(C)c(=O)c3)ccc2OC(F)F)n1	N-[3-[2-(difluoromethoxy)-5-[(6-methylidene-1H-pyridin-3-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(1-methyl-2-oxopyridin-4-yl)sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
COc1ccc2nc(N3CCCC(C(=O)Nc4cc(C)cc(C)c4)C3)sc2c1	N-(3,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc([O-])nc3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.[Na+]	sodium;1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]-2-oxopyrimidin-4-olate
c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)cc4oc5ccccc5c34)cc2)cc1	3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O	N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
Cc1oc(C(=O)NCc2cccc(OCC(=O)O)c2)cc1S(=O)(=O)N(C)C	2-[3-[[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]methyl]phenoxy]acetic acid
CC(=O)O[C@H](C)C1=NC(C)C(/C=C/C2(C(=O)O)COC(C)(C)OC2)=C\C=C\C=C/1	5-[(E)-2-[(3Z,5E,7Z)-9-[(1R)-1-acetyloxyethyl]-2-methyl-2H-azonin-3-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-5-carboxylic acid
COc1ccccc1CC(C)(NCC1CC1)C(N)=O	2-(cyclopropylmethylamino)-3-(2-methoxyphenyl)-2-methylpropanamide
CC(C)(C)c1ccc(C(=O)CCSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1	2-[3-(4-tert-butylphenyl)-3-oxopropyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
COc1ccc(C(=O)Oc2c(I)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)cc1	[2-iodo-6-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzoate
CC(C)N(CCCCl)Cc1cccc2cccnc12	3-chloro-N-propan-2-yl-N-(quinolin-8-ylmethyl)propan-1-amine
COC1CC(C(=O)O)CC1O/N=[N+](\[O-])N(C)C(C)(C)C	(Z)-[tert-butyl(methyl)amino]-(4-carboxy-2-methoxycyclopentyl)oxyimino-oxidoazanium
CCOC(C)OCCCC[C@@H](C)OC(C)=O	[(2R)-6-(1-ethoxyethoxy)hexan-2-yl] acetate
Cc1ccc(C2[C@H]3CN(C(=O)C4CC5(COC(=O)N5)C4)C[C@@H]23)cc1C(F)(F)F	2-[(1R,5S)-6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1	2-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
C=Cc1ccccc1.C=Cc1ccccc1.CCOc1cccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c1.CCOc1cccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)c1	2-(3-carbazol-9-ylphenyl)-5-(3-ethoxyphenyl)-1,3,4-oxadiazole;2-(4-carbazol-9-ylphenyl)-5-(3-ethoxyphenyl)-1,3,4-oxadiazole;styrene
CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccc(O)cc2)cc1	[(2R)-4-ethylhexan-2-yl] 4-(4-hydroxyphenyl)benzoate
COc1ccccc1N1CC[C@@H](CNC(=O)c2ncncc2Cl)C1	5-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1	4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
O=C(NCc1cc(-c2ccc3ccccc3c2)on1)C1CCCCC1	N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexanecarboxamide
Nc1cc(S(=O)(=O)Nc2ccncc2Br)c(F)cc1Br	5-amino-4-bromo-N-(3-bromopyridin-4-yl)-2-fluorobenzenesulfonamide
Nc1cccc(O)c1-c1cccc(O)c1	3-amino-2-(3-hydroxyphenyl)phenol
CC(=O)N[C@@H](CSCC(=O)NC1CCS(=O)(=O)C1)C(=O)O	(2R)-2-acetamido-3-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CCCCCCCCCCc1cc2ccc3c(ccc4cc(I)oc43)c2o1	7-decyl-2-iodo-[1]benzofuro[7,6-g][1]benzofuran
CC(=O)N1Cc2cc(C3=CCC(S(C)(=O)=O)CC3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2C1	1-[4-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-(4-methylsulfonylcyclohexen-1-yl)-1,3-dihydroisoindol-2-yl]ethanone
C=CCO/C=C1/Cc2c(Br)cc(Br)c(OC)c2C1=O	(2Z)-4,6-dibromo-7-methoxy-2-(prop-2-enoxymethylidene)-3H-inden-1-one
CCCC1C2CCC3CC1C32	2-propyltricyclo[3.2.1.03,8]octane
CN(C)c1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccn1	2-(dimethylamino)-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CCCCOC[C@H]1CC[C@@H](C(=O)O)C1	(1R,3S)-3-(butoxymethyl)cyclopentane-1-carboxylic acid
C=C[C@@]1(OC(=O)c2ccccc2)COC(O)[C@@H]1O	[(3R,4R)-3-ethenyl-4,5-dihydroxyoxolan-3-yl] benzoate
C/C(=C\c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1)c1ccc(C)cn1	N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-(5-methylpyridin-2-yl)prop-1-enyl]quinoline-4-carboxamide
CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1cccc2ccccc12	2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CCOC1CC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)C12CCCCC2	N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CCN(c1cccc(C)c1)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccn1	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl-3-methylanilino)pyridine-4-carboxamide
CCC(CC)CCO[P+](=O)OCCC(CC)CC	bis(3-ethylpentoxy)-oxophosphanium
CC(C)c1c[n+](C)c2[nH]cc(C(=O)NC(C)C(C)(C)O)c2n1	N-(3-hydroxy-3-methylbutan-2-yl)-4-methyl-2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl	2-(N-acetyl-2,3-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CCOCCS/C(SC(C)=O)=C(/C(=O)O)N1C(=O)CC1S(=O)CC	(E)-3-acetylsulfanyl-3-(2-ethoxyethylsulfanyl)-2-(2-ethylsulfinyl-4-oxoazetidin-1-yl)prop-2-enoic acid
C=C/C(C)=C\C(=C/C)N=Cc1c(O)[nH]c2ncnc(NCCCN(C)C(=O)CCCC)c12	N-[3-[[6-hydroxy-5-[[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]iminomethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]-N-methylpentanamide
NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O	3-amino-4-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CCNC(C)(CC(C)Sc1ccccc1C)C(=O)OC	methyl 2-(ethylamino)-2-methyl-4-(2-methylphenyl)sulfanylpentanoate
CCNC(=NCCS(C)(=O)=O)NC(C)c1ccc(C)c(F)c1.I	1-ethyl-3-[1-(3-fluoro-4-methylphenyl)ethyl]-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CCOc1cc(CNCCc2ccc(OC)c(OC)c2)c(Cl)cc1OCc1cccc(C)c1	N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CCCCS(=O)(=O)CC(NC(=O)c1cccnc1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C(OCCS(C)(=O)=O)C(=O)NCCc1ccccc1	N-[3-butylsulfonyl-1-[[1-(3,5-difluorophenyl)-3-hydroxy-4-(2-methylsulfonylethoxy)-5-oxo-5-(2-phenylethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide
C1CNN2CC2C1	1,2-diazabicyclo[4.1.0]heptane
FC(F)(F)c1ccccc1Oc1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1	7-chloro-N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
CC(C)CC(C(=O)Nc1ccc2sncc2c1)N1CCCCC1=O	N-(1,2-benzothiazol-5-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide

CNC(=O)C(C(C)C)N(C(=O)C(CCc1ccccc1)C(O)C(O)C(CCc1ccccc1)C(N)=O)C(C(=O)NC)C(C)C

3,4-dihydroxy-N',N'-bis[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2,5-bis(2-phenylethyl)hexanediamide

Cc1cc(C)nc(C(=O)N2CCc3[nH]cnc3C23CCC3)c1

(4,6-dimethylpyridin-2-yl)-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylmethanone

O=C(CC1NNC(O)NC1O)N/N=C/C=C/C1CCCCC1

N-[(E)-[(E)-3-cyclohexylprop-2-enylidene]amino]-2-(3,5-dihydroxy-1,2,4-triazinan-6-yl)acetamide

Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2COCCN2)c1

(3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]morpholine-3-carboxamide

Cc1cccc(Cl)c1NC(=O)N1CCN(c2ccc(NC(=O)Nc3ccccc3F)cn2)CC1

N-(2-chloro-6-methylphenyl)-4-[5-[(2-fluorophenyl)carbamoylamino]pyridin-2-yl]piperazine-1-carboxamide

CN(C)CCCNc1nc(NCCN2CCN(C)CC2)cc(-c2cccc(OC(F)(F)F)c2)n1

2-N-[3-(dimethylamino)propyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine

CCOc1cc(N(C)C)ccc1C=Cc1ccc(C)cc1

3-ethoxy-N,N-dimethyl-4-[2-(4-methylphenyl)ethenyl]aniline

O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1CCOCCOCCOCCS(=O)(=O)O)c64)C(=O)N(CCOCCOCCOCCS(=O)(=O)O)C5=O

2-[2-[2-[2-[6,8,17,19-tetraoxo-18-[2-[2-[2-(2-sulfoethoxy)ethoxy]ethoxy]ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]ethoxy]ethoxy]ethoxy]ethanesulfonic acid

S=C(Nc1ccc2[nH]ncc2c1)NC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1

1-[(3,4-dichlorophenyl)-[(2S)-piperidin-2-yl]methyl]-3-(1H-indazol-5-yl)thiourea

CCC1CN(Cc2cc(C(CC(=O)Nc3cccnc3)c3ccc(C#N)cc3C)ccc2C)S(O)(O)c2cccnc2O1

3-(4-cyano-2-methylphenyl)-3-[3-[(4-ethyl-1,1-dihydroxy-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl)methyl]-4-methylphenyl]-N-pyridin-3-ylpropanamide

N#C[C@@H](N)CC1C(=O)Nc2ccccc21

(2S)-2-amino-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile

OCCCSc1nnc(-c2cccc(Cl)c2)o1

3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-ol

Oc1cccc(C2=Cc3cc4ccc(cc5nc(cc6[nH]c(c(-c7cccc(O)c7)c2n3)c(-c2cccc(O)c2)c6-c2cccc(O)c2)C=C5)[nH]4)c1

3-[17,18,20-tris(3-hydroxyphenyl)-22,24-dihydroporphyrin-2-yl]phenol

COc1ccc(OC(C)C(=O)N[C@H](C)C(=O)O)cc1

(2R)-2-[2-(4-methoxyphenoxy)propanoylamino]propanoic acid

CC(CC1CC1)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1

1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-cyclopropyl-2-methylpropan-1-one

C[C@@H](Nc1ccnc2cnc(N3CC(O)CC3=O)cc12)c1cccc(C(F)F)c1F

1-[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-1,7-naphthyridin-6-yl]-4-hydroxypyrrolidin-2-one

CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cc1

(6S,7S)-8-[4-[(S)-propan-2-ylsulfinyl]benzoyl]-1-oxa-8-azaspiro[5.5]undecane-7-carbonitrile

CCn1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1

1-(1-ethylpyrazol-4-yl)-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea

CN(C)c1cc(Oc2[c-]cc(C(F)(F)F)cc2)nc(Oc2[c-]cc(C(F)(F)F)cc2)c1.Cc1cc(C)c(N2[CH-]N(C)c3cc(C(F)(F)F)cnc32)[c-]c1N1[CH-]Nc2cc(C(F)(F)F)cnc21.[Ir]

N,N-dimethyl-2,6-bis[[4-(trifluoromethyl)benzene-6-id-1-yl]oxy]pyridin-4-amine;3-[2,4-dimethyl-5-[6-(trifluoromethyl)-1,2-dihydroimidazo[4,5-b]pyridin-2-id-3-yl]benzene-6-id-1-yl]-1-methyl-6-(trifluoromethyl)-2H-imidazo[4,5-b]pyridin-2-ide;iridium

CC(=O)N1CC[C@]12CN(Cc1ccccc1)C[C@H]2C(=O)O

(4S,5R)-1-acetyl-7-benzyl-1,7-diazaspiro[3.4]octane-5-carboxylic acid

Cc1nc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2c3c(sc2n1)CCC3

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

COc1ccc(C(=O)N2CCCCC2)c([N+](=O)[O-])c1

(4-methoxy-2-nitrophenyl)-piperidin-1-ylmethanone

Cc1ccc(Oc2ccc(OC3CCN(C(=O)Oc4ccc(N5C(=O)C(C(C)C)NC5=S)nc4)CC3)cc2)nc1

[6-(5-oxo-4-propan-2-yl-2-sulfanylideneimidazolidin-1-yl)pyridin-3-yl] 4-[4-(5-methylpyridin-2-yl)oxyphenoxy]piperidine-1-carboxylate

COc1cc(OC)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC

3-(4-nitrophenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CC5)n4)ccc32)cc1

N-[4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

[C-]#[N+]C1=C(c2ccccc2)/C(=C(/C#N)c2cc([N+]#[C-])cc([N+]#[C-])c2)c2cc3c(cc21)/C(=C(\[N+]#[C-])c1cc(C#N)cc(C#N)c1)C(c1ccc(F)cc1)=C3C#N

5-[(E)-[(5E)-3-cyano-5-[cyano-(3,5-diisocyanophenyl)methylidene]-2-(4-fluorophenyl)-7-isocyano-6-phenyl-s-indacen-1-ylidene]-isocyanomethyl]benzene-1,3-dicarbonitrile

C=CCc1cccc(C2C(C=C)=CCC3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)C32C)c1O

2-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-ethenyl-7-(2-hydroxy-3-prop-2-enylphenyl)-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione

FC(F)=CC(F)(Cl)C(F)(F)Cl

3,4-dichloro-1,1,3,4,4-pentafluorobut-1-ene

CC(NC(=O)N1CC(C)(OCC(=O)O)C1)c1nn[nH]n1

2-[3-methyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid

C=C(N/C(=C\C)COc1ccc(C(C)(c2cc(C#N)c(OCCCl)c(CC)c2)C(C)(c2ccc(OCc3[nH]cnc3N(C)OC)cc2)c2cc(Cl)c(OCCCl)c(Cl)c2)cc1)S(=C)(C)=O.CC

2-(2-chloroethoxy)-5-[3-[3,5-dichloro-4-(2-chloroethoxy)phenyl]-3-[4-[[4-[methoxy(methyl)amino]-1H-imidazol-5-yl]methoxy]phenyl]-2-[4-[(Z)-2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)ethenylamino]but-2-enoxy]phenyl]butan-2-yl]-3-ethylbenzonitrile;ethane

CN/C(C)=C1\C(=O)c2c(cc(C)c3c2CCCC3=O)C1C1=Cc2nnnn2CCC1

(2Z)-3-(6,7-dihydro-5H-tetrazolo[1,5-a]azepin-8-yl)-5-methyl-2-[1-(methylamino)ethylidene]-3,7,8,9-tetrahydrocyclopenta[a]naphthalene-1,6-dione

C=CC(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O

[(2R,3R,4R,5R,6S)-6-(3,7-dimethylocta-1,6-dien-3-yloxy)-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Cc1cc2ncnc(N3CCN(CCn4nc(-c5cccnc5)ccc4=O)CC3)c2n1C

2-[2-[4-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

[N-]=[N+]=NC1COCC1OC(N)=O

(4-azidooxolan-3-yl) carbamate

COc1ccc(S(=O)(=O)N/N=C/c2ccc(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c([N+](=O)[O-])c2)cc1

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[4-[(E)-[(4-methoxyphenyl)sulfonylhydrazinylidene]methyl]-2-nitrophenyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

CCCCCC(=O)c1cc[cH-]c1.[Fe+2].c1cc[cH-]c1

cyclopenta-1,3-diene;1-cyclopenta-1,4-dien-1-ylhexan-1-one;iron(2+)

CC(=O)Oc1csc2cc(OCc3cnc(C)nc3N)ccc12

[6-[(4-amino-2-methylpyrimidin-5-yl)methoxy]-1-benzothiophen-3-yl] acetate

COc1cccc(N(C)C(=O)Oc2ccccc2)n1

phenyl N-(6-methoxypyridin-2-yl)-N-methylcarbamate

COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1

(2R)-N-tert-butyl-2-[[2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide

CC(C)(C)OCCN1CCCC(N)C1

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine

CC(c1ccccc1)N(CC1CCC1)C(=O)Cc1ccc(N)cc1.Cl

2-(4-aminophenyl)-N-(cyclobutylmethyl)-N-(1-phenylethyl)acetamide;hydrochloride

CCOC(=O)c1ccc(CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1

ethyl 4-[[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate

C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCCCC3)cc21

[(4S)-1-benzyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]-piperidin-1-ylmethanethione

O=C1CCc2ccc(OCc3cccc(Br)c3)cc2O1

7-[(3-bromophenyl)methoxy]-3,4-dihydrochromen-2-one

CCOC(=O)/C(C#N)=C(/O)C(CC(C)C)OC(C)=O

ethyl (E)-4-acetyloxy-2-cyano-3-hydroxy-6-methylhept-2-enoate

Brc1ccc2c(c1)OC1(CCNCC1)C2.Cl

6-bromospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride

COC(=O)[C@H](CS)Nc1ccn(C2O[C@@](CO)(N=[N+]=[N-])C(O)[C@@H]2F)c(=O)n1

methyl (2R)-2-[[1-[(3S,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-3-sulfanylpropanoate

CN(CCO)C1CCN(c2cccc(F)c2)C1

2-[[1-(3-fluorophenyl)pyrrolidin-3-yl]-methylamino]ethanol

COc1ccc(Br)c(CC2CCN(CC3C(=O)N(C)c4ccccc43)CC2)c1

3-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1-methyl-3H-indol-2-one

CC(=O)[C@H](CC=C(C)C)[S@@](=O)c1ccc(C)cc1

(3S)-6-methyl-3-[(R)-(4-methylphenyl)sulfinyl]hept-5-en-2-one

CNCCNCCCNNCCNC

N-methyl-N'-[3-[2-[2-(methylamino)ethyl]hydrazinyl]propyl]ethane-1,2-diamine

C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(F)cc2)o1

2-[(1S)-1-(4-fluorophenoxy)ethyl]-5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,3,4-oxadiazole

CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)cc1

8-(4-methylsulfonylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C=C1C=CC(S(=O)(=O)c2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)=CN1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)C3=CCN=C3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3cccnc3)ccc2OC(F)F)n1.Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2cc(S(=O)(=O)c3ccn(C)c(=O)c3)ccc2OC(F)F)n1

N-[3-[2-(difluoromethoxy)-5-[(6-methylidene-1H-pyridin-3-yl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(1-methyl-2-oxopyridin-4-yl)sulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-pyridin-3-ylsulfonylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(2H-pyrrol-4-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

COc1ccc2nc(N3CCCC(C(=O)Nc4cc(C)cc(C)c4)C3)sc2c1

N-(3,5-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

COc1ccc(C(OC[C@H]2O[C@@H](n3ccc([O-])nc3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.[Na+]

sodium;1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]-2-oxopyrimidin-4-olate

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccc6sc7ccccc7c6c5)n4)cc4oc5ccccc5c34)cc2)cc1

3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O

N-[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide

Cc1oc(C(=O)NCc2cccc(OCC(=O)O)c2)cc1S(=O)(=O)N(C)C

2-[3-[[[4-(dimethylsulfamoyl)-5-methylfuran-2-carbonyl]amino]methyl]phenoxy]acetic acid

CC(=O)O[C@H](C)C1=NC(C)C(/C=C/C2(C(=O)O)COC(C)(C)OC2)=C\C=C\C=C/1

5-[(E)-2-[(3Z,5E,7Z)-9-[(1R)-1-acetyloxyethyl]-2-methyl-2H-azonin-3-yl]ethenyl]-2,2-dimethyl-1,3-dioxane-5-carboxylic acid

COc1ccccc1CC(C)(NCC1CC1)C(N)=O

2-(cyclopropylmethylamino)-3-(2-methoxyphenyl)-2-methylpropanamide

CC(C)(C)c1ccc(C(=O)CCSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1

2-[3-(4-tert-butylphenyl)-3-oxopropyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

COc1ccc(C(=O)Oc2c(I)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2OC)cc1

[2-iodo-6-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-methoxybenzoate

CC(C)N(CCCCl)Cc1cccc2cccnc12

3-chloro-N-propan-2-yl-N-(quinolin-8-ylmethyl)propan-1-amine

COC1CC(C(=O)O)CC1O/N=[N+](\[O-])N(C)C(C)(C)C

(Z)-[tert-butyl(methyl)amino]-(4-carboxy-2-methoxycyclopentyl)oxyimino-oxidoazanium

CCOC(C)OCCCC[C@@H](C)OC(C)=O

[(2R)-6-(1-ethoxyethoxy)hexan-2-yl] acetate

Cc1ccc(C2[C@H]3CN(C(=O)C4CC5(COC(=O)N5)C4)C[C@@H]23)cc1C(F)(F)F

2-[(1R,5S)-6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one

COc1ccc(C)cc1NC(=O)CNC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1

2-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C=Cc1ccccc1.C=Cc1ccccc1.CCOc1cccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)o2)c1.CCOc1cccc(-c2nnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)o2)c1

2-(3-carbazol-9-ylphenyl)-5-(3-ethoxyphenyl)-1,3,4-oxadiazole;2-(4-carbazol-9-ylphenyl)-5-(3-ethoxyphenyl)-1,3,4-oxadiazole;styrene

CCC(CC)C[C@@H](C)OC(=O)c1ccc(-c2ccc(O)cc2)cc1

[(2R)-4-ethylhexan-2-yl] 4-(4-hydroxyphenyl)benzoate

COc1ccccc1N1CC[C@@H](CNC(=O)c2ncncc2Cl)C1

5-chloro-N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

CC1(C)CCC2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

O=C(NCc1cc(-c2ccc3ccccc3c2)on1)C1CCCCC1

N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexanecarboxamide

Nc1cc(S(=O)(=O)Nc2ccncc2Br)c(F)cc1Br

5-amino-4-bromo-N-(3-bromopyridin-4-yl)-2-fluorobenzenesulfonamide

Nc1cccc(O)c1-c1cccc(O)c1

3-amino-2-(3-hydroxyphenyl)phenol

CC(=O)N[C@@H](CSCC(=O)NC1CCS(=O)(=O)C1)C(=O)O

(2R)-2-acetamido-3-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid

CCCCCCCCCCc1cc2ccc3c(ccc4cc(I)oc43)c2o1

7-decyl-2-iodo-[1]benzofuro[7,6-g][1]benzofuran

CC(=O)N1Cc2cc(C3=CCC(S(C)(=O)=O)CC3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2C1

1-[4-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-(4-methylsulfonylcyclohexen-1-yl)-1,3-dihydroisoindol-2-yl]ethanone

C=CCO/C=C1/Cc2c(Br)cc(Br)c(OC)c2C1=O

(2Z)-4,6-dibromo-7-methoxy-2-(prop-2-enoxymethylidene)-3H-inden-1-one

CCCC1C2CCC3CC1C32

2-propyltricyclo[3.2.1.03,8]octane

CN(C)c1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccn1

2-(dimethylamino)-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide

CCCCOC[C@H]1CC[C@@H](C(=O)O)C1

(1R,3S)-3-(butoxymethyl)cyclopentane-1-carboxylic acid

C=C[C@@]1(OC(=O)c2ccccc2)COC(O)[C@@H]1O

[(3R,4R)-3-ethenyl-4,5-dihydroxyoxolan-3-yl] benzoate

C/C(=C\c1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1)c1ccc(C)cn1

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-[(E)-2-(5-methylpyridin-2-yl)prop-1-enyl]quinoline-4-carboxamide

CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1cccc2ccccc12

2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide

CCOC1CC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)C12CCCCC2

N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

CCN(c1cccc(C)c1)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccn1

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl-3-methylanilino)pyridine-4-carboxamide

CCC(CC)CCO[P+](=O)OCCC(CC)CC

bis(3-ethylpentoxy)-oxophosphanium

CC(C)c1c[n+](C)c2[nH]cc(C(=O)NC(C)C(C)(C)O)c2n1

N-(3-hydroxy-3-methylbutan-2-yl)-4-methyl-2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide

CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl

2-(N-acetyl-2,3-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide

CCOCCS/C(SC(C)=O)=C(/C(=O)O)N1C(=O)CC1S(=O)CC

(E)-3-acetylsulfanyl-3-(2-ethoxyethylsulfanyl)-2-(2-ethylsulfinyl-4-oxoazetidin-1-yl)prop-2-enoic acid

C=C/C(C)=C\C(=C/C)N=Cc1c(O)[nH]c2ncnc(NCCCN(C)C(=O)CCCC)c12

N-[3-[[6-hydroxy-5-[[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]iminomethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]-N-methylpentanamide

NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

3-amino-4-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

CCNC(C)(CC(C)Sc1ccccc1C)C(=O)OC

methyl 2-(ethylamino)-2-methyl-4-(2-methylphenyl)sulfanylpentanoate

CCNC(=NCCS(C)(=O)=O)NC(C)c1ccc(C)c(F)c1.I

1-ethyl-3-[1-(3-fluoro-4-methylphenyl)ethyl]-2-(2-methylsulfonylethyl)guanidine;hydroiodide

CCOc1cc(CNCCc2ccc(OC)c(OC)c2)c(Cl)cc1OCc1cccc(C)c1

N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine

CCCCS(=O)(=O)CC(NC(=O)c1cccnc1)C(=O)NC(Cc1cc(F)cc(F)c1)C(O)C(OCCS(C)(=O)=O)C(=O)NCCc1ccccc1

N-[3-butylsulfonyl-1-[[1-(3,5-difluorophenyl)-3-hydroxy-4-(2-methylsulfonylethoxy)-5-oxo-5-(2-phenylethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide

C1CNN2CC2C1

1,2-diazabicyclo[4.1.0]heptane

FC(F)(F)c1ccccc1Oc1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1

7-chloro-N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

CC(C)CC(C(=O)Nc1ccc2sncc2c1)N1CCCCC1=O

N-(1,2-benzothiazol-5-yl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide