AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-39

SMILES stringlengths 2 751	IUPAC stringlengths 6 1.43k
Cc1cc(C)cc(C(=NC(C)C)NN)c1	N-amino-3,5-dimethyl-N'-propan-2-ylbenzenecarboximidamide
COc1ccc(CN(C)C(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1	2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
COc1cncc2c1[C@]1(O)[C@H](OC(N)=O)C[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2	[(2S,3R,5S,6R)-6-(4-bromophenyl)-2-hydroxy-12-methoxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-3-yl] carbamate
CC(=O)Nc1cc(C)c2c(-c3ccccc3)c(-c3ccccc3)oc2c1C(C)C	N-(4-methyl-2,3-diphenyl-7-propan-2-yl-1-benzofuran-6-yl)acetamide
CC(C)(CN)c1cccc(C(O)c2cc[nH]c2)c1	[3-(1-amino-2-methylpropan-2-yl)phenyl]-(1H-pyrrol-3-yl)methanol
CC(C)C(=O)C(Cc1ccccc1)C(=O)O.CC(C)C(=O)C1(C(=O)O)CC1.CC(C)C(=O)C1(c2ccccc2)CC1.CC(C)C(=O)C1CC1c1ccccc1.CC(C)C(=O)C1CCCC1.CC(C)C(=O)C1CCCCC1C.CC(C)C(=O)C1CCCCC1C(=O)O.CC(C)C(=O)C1CCCCC1C(=O)c1ccccc1.CC(C)C(=O)CC(CC(=O)O)c1ccccc1.CC(C)C(=O)Cc1cccc(CC(=O)O)c1.CC(C)C(=O)Cc1ccccc1CC(=O)O.CC(C)C(=O)c1cccc(C(=O)O)c1.CC(C)C(=O)c1cccc2ccccc12.CC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1C(=O)O.CC(C)C(=O)c1ccccc1C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1C(F)(F)F.CC(C)C(=O)c1ccccc1Oc1ccccc1.CC(C)C(=O)c1ccccc1[N+](=O)[O-].CCOc1ccc2ccccc2c1C(=O)C(C)C.Cc1cccc(C)c1C(=O)C(C)C	1-(2-benzoylcyclohexyl)-2-methylpropan-1-one;1-(2-benzoylphenyl)-2-methylpropan-1-one;2-benzyl-4-methyl-3-oxopentanoic acid;1-cyclopentyl-2-methylpropan-1-one;1-(2,6-dimethylphenyl)-2-methylpropan-1-one;1-(2-ethoxynaphthalen-1-yl)-2-methylpropan-1-one;2-methyl-1-(2-methylcyclohexyl)propan-1-one;2-methyl-1-naphthalen-1-ylpropan-1-one;2-methyl-1-(2-nitrophenyl)propan-1-one;2-[2-(3-methyl-2-oxobutyl)phenyl]acetic acid;2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid;6-methyl-5-oxo-3-phenylheptanoic acid;2-methyl-1-(2-phenoxyphenyl)propan-1-one;2-methyl-1-(1-phenylcyclopropyl)propan-1-one;2-methyl-1-(2-phenylcyclopropyl)propan-1-one;2-methyl-1-phenylpropan-1-one;2-(2-methylpropanoyl)benzoic acid;3-(2-methylpropanoyl)benzoic acid;2-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;1-(2-methylpropanoyl)cyclopropane-1-carboxylic acid;2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
CO/N=C(/c1ccc(F)cc1)c1ccccc1COc1ccc(C(F)(F)F)cc1	(Z)-1-(4-fluorophenyl)-N-methoxy-1-[2-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methanimine
COc1cc(OC)c(N2C[C@H](C(=O)NCc3ccccc3C)CC2=O)cc1Cl	(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
Oc1ccc(-n2cc(C(F)(F)C(F)Oc3ccc(F)cc3)cn2)c(O)c1	4-[4-[1,1,2-trifluoro-2-(4-fluorophenoxy)ethyl]pyrazol-1-yl]benzene-1,3-diol
Cc1noc(NC(CN(C)C)C(C)C)n1	1-N,1-N,3-trimethyl-2-N-(3-methyl-1,2,4-oxadiazol-5-yl)butane-1,2-diamine
CC(C)(C)N=C(N)N1CCOCC1(C)C	N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide
COC(=O)COc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2C)cc1Br	methyl 2-[2-bromo-4-[[[3-(2-methylanilino)-3-oxopropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CCN(CCCCCN)CCC(=O)OC	methyl 3-[5-aminopentyl(ethyl)amino]propanoate
CC(C)(C)Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.CC(C)(c1ccc(F)cc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1cccnc1-c1[c-]cccc1.CC(C)(c1ccccc1)c1cccnc1-c1[c-]cccc1.CC(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]cccc2)cc1CC(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1	4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;4-(2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-[2-(4-fluorophenyl)propan-2-yl]-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;2-phenyl-3-(2-phenylpropan-2-yl)pyridine;2-phenyl-5-(2-phenylpropan-2-yl)pyridine;4-phenyl-2-phenylpyridine
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCCCN1CCCC1=O	N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CCC[C@H](C)NCCP(=O)(O)O	2-[[(2S)-pentan-2-yl]amino]ethylphosphonic acid
CCCNCc1c(Sc2nnc(C)s2)nc2sccn12	N-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
COc1cc2ncc(-c3cccc(N[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(C)c1	tert-butyl (3R,4S)-3-[[6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-yl]amino]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
c1ccc(-n2c3[n+](c4ccccc42)[B-]2(Oc4ccccc4-3)c3ccccc3-c3ccccc32)cc1	17'-phenylspiro[8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-8,9'-8-oxa-17-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaene]
Cl.Cl.NC(=O)OCc1ccccc1	benzyl carbamate;dihydrochloride
Clc1cccc(C(Cl)Cc2ccccn2)c1Cl	2-[2-chloro-2-(2,3-dichlorophenyl)ethyl]pyridine
CCC(=O)c1c[nH]c2c(c1=O)CCC2	3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one
CCC(C(=O)Nc1ccc(C)cc1C)n1nc(-c2ccccc2)ccc1=O	N-(2,4-dimethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
Cl.O=C(c1ccc(Br)s1)N1CCNCC1c1cccc(F)c1	(5-bromothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
NC(Cc1cc(Cl)ccc1F)c1ccc(Cl)cn1	2-(5-chloro-2-fluorophenyl)-1-(5-chloropyridin-2-yl)ethanamine
CC(=O)NCCNc1ncc2ccccc2n1	N-[2-(quinazolin-2-ylamino)ethyl]acetamide
CCCCCNS(=O)(=O)c1ccc(C(=O)NCCC)cc1	4-(pentylsulfamoyl)-N-propylbenzamide
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)c2c1OC(=O)/C=C/C(=O)O2	(3E)-7-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,5-dioxo-N-phenyl-1,6-benzodioxocine-10-carboxamide
CC1(C)CC(=O)C=C(Nc2c(N)ccnc2N)C1	3-[(2,4-diaminopyridin-3-yl)amino]-5,5-dimethylcyclohex-2-en-1-one
CCC1NN(SC(Cl)(Cl)Cl)C(=O)N1c1cccc(Cl)c1	4-(3-chlorophenyl)-5-ethyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one
C#CCC(O)C[C@@H](C=C)NS(=O)(=O)c1ccc(C)cc1	N-[(3S)-5-hydroxyoct-1-en-7-yn-3-yl]-4-methylbenzenesulfonamide
COc1ccc(-c2nsc3c(SCC(=O)Nc4ccc5c(c4)OCO5)ncnc23)cc1	N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
O=C(Nc1ccccn1)C(SC1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide
CC1CCc2c(sc3nc(-c4ccc(C(C)(C)C)cc4)[nH]c(=O)c23)C1	2-(4-tert-butylphenyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CNc1c(N)n(C)c(=O)n(C)c1=O	6-amino-1,3-dimethyl-5-(methylamino)pyrimidine-2,4-dione
CC1CCC2C1CC1CCN2C1	5-methyl-1-azatricyclo[6.2.1.02,6]undecane
CC(C)(C)c1ccc(-c2noc(CN3C(=O)N(Cc4ccco4)C(=O)C4CCCCC43)n2)cc1	1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(furan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CN(C)C(=O)CN=C(NCCSc1ccccc1)NCCc1ccc(Cl)nc1.I	2-[[[2-(6-chloropyridin-3-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C	[(2R)-1-[hydroxy-[(2R)-2-hydroxy-3-[hydroxy-[(2R)-2-(12-methyltridecanoyloxy)-3-tetradecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(14-methylpentadecanoyloxy)propan-2-yl] docosanoate
c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4Oc4ccccc4-c4cccc6cccc-5c46)c4ccccc34)c2)cc1	6-[10-(3-phenylphenyl)anthracen-9-yl]-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
C=CCCCOCc1ccccc1C(=O)O.CC	ethane;2-(pent-4-enoxymethyl)benzoic acid
CC=NC(=S)S	ethylidenecarbamodithioic acid
CN(C)CCN(C)C.COCCN(Cc1cc(C)cc(C(C)(C)C)c1[O-])Cc1cc(C)cc(C(C)(C)C)c1[O-].[Yb+2]	2-tert-butyl-6-[[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenolate;N,N,N',N'-tetramethylethane-1,2-diamine;ytterbium(2+)
CC(=O)NC12CC3CC(C1)C(=NO)C(C3)C2	N-(4-hydroxyimino-1-adamantyl)acetamide
CCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1C[C@H]1CCCN1CC	2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-4-one
Cc1nccc(CNS(=O)(=O)c2c(Cl)nc3sccn23)n1	6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
Cc1cc(C)c(B(c2ccc(-c3cc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)cc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)c3)cc2)c2c(C)cc(C)cc2C)c(C)c1	[4-[3,5-bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CC(=C1SC[C@H]2NCN[C@@H]12)C(C)(Cc1ccccc1)C(=O)C(=O)OCc1ccccc1	benzyl 4-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrothieno[3,4-d]imidazol-4-ylidene]-3-benzyl-3-methyl-2-oxopentanoate
CC(F)(F)Cc1ccccc1-c1noc(CN)n1	[3-[2-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
Cc1ccc(C(C)N)c(O)c1	2-(1-aminoethyl)-5-methylphenol
O=S(=O)(N=C1Nc2ccccc2C12CCCC2)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl	2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoro-N-spiro[1H-indole-3,1'-cyclopentane]-2-ylideneethanesulfonamide
CCOC(=O)C(Cc1ccc(OC)cc1Cl)C(C)=O	ethyl 2-[(2-chloro-4-methoxyphenyl)methyl]-3-oxobutanoate
Cn1ccnc1NCC[C@@H]1CCCN1	1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]imidazol-2-amine
CCc1ccc(CC)c(C(=O)CBr)c1	2-bromo-1-(2,5-diethylphenyl)ethanone
COC(CNC(=O)c1cccnc1F)OC	N-(2,2-dimethoxyethyl)-2-fluoropyridine-3-carboxamide
CCc1cc(CCN)ccc1CNC(=O)OC(C)(C)C	tert-butyl N-[[4-(2-aminoethyl)-2-ethylphenyl]methyl]carbamate
C=Cc1cc(CNC(=C)C2CCCN(C(=C)NC(C)C)C2)cc(C(C)(C)F)c1	N-[1-[3-[1-[[3-ethenyl-5-(2-fluoropropan-2-yl)phenyl]methylamino]ethenyl]piperidin-1-yl]ethenyl]propan-2-amine
CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc[n+](O)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cnno1.CC(C)c1cocn1.CC(C)c1conn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncon1.CCCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)n1C	2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-ylpyridin-2-yl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CNc1ncnc2c1ncn2[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@]2(COCc3ccccc3)C[C@H]12	9-[(1R,2R,4S,5R,6S)-8,8-dimethyl-2-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-N-methylpurin-6-amine
Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(N=C(N)CCl)c1	2-chloro-N'-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-methylphenyl]ethanimidamide
Cc1cc2c(cc1F)NC(=O)CCN2c1ccccc1C	8-fluoro-7-methyl-5-(2-methylphenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
OC(c1cc(F)cc(F)c1)c1ccncc1F	(3,5-difluorophenyl)-(3-fluoropyridin-4-yl)methanol
CC[C@H](C)[C@H](NCC(=O)OC(C)(C)C)C(=O)N1C[C@@H](F)C[C@H]1C#N	tert-butyl 2-[[(2S,3S)-1-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]acetate
Cc1ccc(NC(=O)N2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)cc1	(2S)-2-N,2-N-dimethyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
O=C([O-])CN1C(=O)C2CC=C(Cl)CC2C1=O	2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CCN(C(=O)C(C)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccccc1	[1-(N-ethylanilino)-1-oxopropan-2-yl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4sc(C(C)(C)C)cc4C#N)c3C)[nH]c2cn1	5-tert-butyl-2-[3-[(E)-2-cyano-2-(6-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2,5-dimethylpyrrol-1-yl]thiophene-3-carbonitrile
CN(CCCN)CCCNC(=O)C=CC(=O)NCCCN(C)CCCN	N,N'-bis[3-[3-aminopropyl(methyl)amino]propyl]but-2-enediamide
C/C=C(\c1sccc1Cl)[N+](=O)[O-]	3-chloro-2-[(E)-1-nitroprop-1-enyl]thiophene
COC(=O)CCCCCC(O)C1CCC2OC(=O)CC21C	methyl 7-(3a-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4-yl)-7-hydroxyheptanoate
NC(CC(=O)O)c1cccc(N2C=NCC2)c1	3-amino-3-[3-(4,5-dihydroimidazol-1-yl)phenyl]propanoic acid
Cc1ccc(-c2cnc3cc(C(N)=O)ccc3n2)cc1	2-(4-methylphenyl)quinoxaline-6-carboxamide
COc1ccc([C@H](C[NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[NH+](C)C)cc1	[(1R)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylazaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CC1(C)CC1Nc1c(N)cc(N)c(Cl)c1F	5-chloro-1-N-(2,2-dimethylcyclopropyl)-6-fluorobenzene-1,2,4-triamine
CC(=O)N1CC=C[C@@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O	(3R,6S,9S,12S,15S,20S,23S)-15-[[(2R)-2-[[(2R)-2-[[(2R)-1-acetyl-2,5-dihydropyrrole-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(3-carbamimidamidopropyl)-12-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,22-heptaoxo-1,4,7,10,13,18,21-heptazabicyclo[21.3.0]hexacosane-20-carboxamide
C1SC2COCC2S1	3a,4,6,6a-tetrahydro-[1,3]dithiolo[4,5-c]furan
CC1c2cc(CC(C)(C)N3CCc4ccccc4C3)ccc2CCN1C(C)(C)C	2-tert-butyl-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-methyl-3,4-dihydro-1H-isoquinoline
CC(C)(F)C1CCC(=O)CC1	4-(2-fluoropropan-2-yl)cyclohexan-1-one
COc1ccc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1OCc1ccccc1	2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]acetamide
Cc1ccc(-c2noc(C3CN(C(=O)O)C3)n2)cc1NC(=O)c1cnc2ccc(COCCF)cn12	3-[3-[3-[[6-(2-fluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid
C[C@H]1CN(c2cnc(Br)cn2)CCN1C(=O)O	(2S)-4-(5-bromopyrazin-2-yl)-2-methylpiperazine-1-carboxylic acid
CNC(Cn1cncn1)C(N)=O	2-(methylamino)-3-(1,2,4-triazol-1-yl)propanamide
COCO[C@H]1C(=O)N(COC)[C@H]1[C@H]1COC(C)(C)O1	(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-1-(methoxymethyl)azetidin-2-one
O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(F)c1	N-(2-adamantyl)-3-fluorobenzamide
CCNc1cc(C(=O)Nc2c(F)cccc2Br)cc(Cl)n1	N-(2-bromo-6-fluorophenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
COCCOCCO/C=C/c1ccccc1	[(E)-2-[2-(2-methoxyethoxy)ethoxy]ethenyl]benzene
COc1c(N2CCC(O)(CO)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	1-cyclopropyl-6-fluoro-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@H]2O1	[(1S,2R,6R,7R,8S,9R,12E)-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-yl] acetate
O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)c2ccncc12	N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-nitroisoquinolin-5-amine
CCC(CC)C(=O)N(c1ccccc1)C1CCC(C(c2ccccc2)N(C)C)CC1.Cl	N-[4-[dimethylamino(phenyl)methyl]cyclohexyl]-2-ethyl-N-phenylbutanamide;hydrochloride
CC(C)n1ncc2c(C(=O)NCc3c(F)cccc3F)cc(-c3cccc(CNCCN)c3)nc21	6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2,6-difluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
O=C1CC=CC2=C1CC1=C(C=CCC1C(=O)O)O2	8-oxo-1,2,7,9-tetrahydroxanthene-1-carboxylic acid
O=C1CC(C2CC2)Nc2ncc(Br)cc2N1	8-bromo-4-cyclopropyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
Cc1ccc(COc2ccc(CC(C)NC(=O)c3cnc(N)nc3C)cc2)cc1	2-amino-4-methyl-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]pyrimidine-5-carboxamide
CCN1CCCC1CNc1nc(Nc2ccc(OC)c(Cl)c2)nc(NC2CCCCCC2)n1	4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CC1(C)CN(c2ccc(C#N)cc2)C(C)(C)C(=O)N1	4-(2,2,5,5-tetramethyl-3-oxopiperazin-1-yl)benzonitrile
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C	N-[(6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-N-octadecyloctadecan-1-amine
O=[N+]([O-])c1ccc(OP(=O)(Cl)Oc2ccc3ccccc3c2-c2nc3ccccc3o2)cc1	2-[2-[chloro-(4-nitrophenoxy)phosphoryl]oxynaphthalen-1-yl]-1,3-benzoxazole
COc1nc(-c2ccc(C)cc2)n(-c2ccc(N)cc2)n1	4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]aniline

Cc1cc(C)cc(C(=NC(C)C)NN)c1

N-amino-3,5-dimethyl-N'-propan-2-ylbenzenecarboximidamide

COc1ccc(CN(C)C(=O)c2ccccc2S[C@H]2CCS(=O)(=O)C2)cc1

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

COc1cncc2c1[C@]1(O)[C@H](OC(N)=O)C[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2

[(2S,3R,5S,6R)-6-(4-bromophenyl)-2-hydroxy-12-methoxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-3-yl] carbamate

CC(=O)Nc1cc(C)c2c(-c3ccccc3)c(-c3ccccc3)oc2c1C(C)C

N-(4-methyl-2,3-diphenyl-7-propan-2-yl-1-benzofuran-6-yl)acetamide

CC(C)(CN)c1cccc(C(O)c2cc[nH]c2)c1

[3-(1-amino-2-methylpropan-2-yl)phenyl]-(1H-pyrrol-3-yl)methanol

CC(C)C(=O)C(Cc1ccccc1)C(=O)O.CC(C)C(=O)C1(C(=O)O)CC1.CC(C)C(=O)C1(c2ccccc2)CC1.CC(C)C(=O)C1CC1c1ccccc1.CC(C)C(=O)C1CCCC1.CC(C)C(=O)C1CCCCC1C.CC(C)C(=O)C1CCCCC1C(=O)O.CC(C)C(=O)C1CCCCC1C(=O)c1ccccc1.CC(C)C(=O)CC(CC(=O)O)c1ccccc1.CC(C)C(=O)Cc1cccc(CC(=O)O)c1.CC(C)C(=O)Cc1ccccc1CC(=O)O.CC(C)C(=O)c1cccc(C(=O)O)c1.CC(C)C(=O)c1cccc2ccccc12.CC(C)C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1C(=O)O.CC(C)C(=O)c1ccccc1C(=O)c1ccccc1.CC(C)C(=O)c1ccccc1C(F)(F)F.CC(C)C(=O)c1ccccc1Oc1ccccc1.CC(C)C(=O)c1ccccc1[N+](=O)[O-].CCOc1ccc2ccccc2c1C(=O)C(C)C.Cc1cccc(C)c1C(=O)C(C)C

1-(2-benzoylcyclohexyl)-2-methylpropan-1-one;1-(2-benzoylphenyl)-2-methylpropan-1-one;2-benzyl-4-methyl-3-oxopentanoic acid;1-cyclopentyl-2-methylpropan-1-one;1-(2,6-dimethylphenyl)-2-methylpropan-1-one;1-(2-ethoxynaphthalen-1-yl)-2-methylpropan-1-one;2-methyl-1-(2-methylcyclohexyl)propan-1-one;2-methyl-1-naphthalen-1-ylpropan-1-one;2-methyl-1-(2-nitrophenyl)propan-1-one;2-[2-(3-methyl-2-oxobutyl)phenyl]acetic acid;2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid;6-methyl-5-oxo-3-phenylheptanoic acid;2-methyl-1-(2-phenoxyphenyl)propan-1-one;2-methyl-1-(1-phenylcyclopropyl)propan-1-one;2-methyl-1-(2-phenylcyclopropyl)propan-1-one;2-methyl-1-phenylpropan-1-one;2-(2-methylpropanoyl)benzoic acid;3-(2-methylpropanoyl)benzoic acid;2-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;1-(2-methylpropanoyl)cyclopropane-1-carboxylic acid;2-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-one

CO/N=C(/c1ccc(F)cc1)c1ccccc1COc1ccc(C(F)(F)F)cc1

(Z)-1-(4-fluorophenyl)-N-methoxy-1-[2-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methanimine

COc1cc(OC)c(N2C[C@H](C(=O)NCc3ccccc3C)CC2=O)cc1Cl

(3R)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

Oc1ccc(-n2cc(C(F)(F)C(F)Oc3ccc(F)cc3)cn2)c(O)c1

4-[4-[1,1,2-trifluoro-2-(4-fluorophenoxy)ethyl]pyrazol-1-yl]benzene-1,3-diol

Cc1noc(NC(CN(C)C)C(C)C)n1

1-N,1-N,3-trimethyl-2-N-(3-methyl-1,2,4-oxadiazol-5-yl)butane-1,2-diamine

CC(C)(C)N=C(N)N1CCOCC1(C)C

N'-tert-butyl-3,3-dimethylmorpholine-4-carboximidamide

COC(=O)COc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2C)cc1Br

methyl 2-[2-bromo-4-[[[3-(2-methylanilino)-3-oxopropanoyl]hydrazinylidene]methyl]phenoxy]acetate

CCN(CCCCCN)CCC(=O)OC

methyl 3-[5-aminopentyl(ethyl)amino]propanoate

CC(C)(C)Cc1ccnc(-c2[c-]cc(-c3ccccc3)cc2)c1.CC(C)(c1ccc(F)cc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1ccc(-c2[c-]cccc2)nc1.CC(C)(c1ccccc1)c1cccnc1-c1[c-]cccc1.CC(C)(c1ccccc1)c1cccnc1-c1[c-]cccc1.CC(C)c1ccnc(-c2[c-]ccc(-c3ccccc3)c2)c1.Cc1cnc(-c2[c-]cccc2)cc1CC(C)(C)C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1

4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;4-(2,2-dimethylpropyl)-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-[2-(4-fluorophenyl)propan-2-yl]-2-phenylpyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)-4-propan-2-ylpyridine;2-phenyl-3-(2-phenylpropan-2-yl)pyridine;2-phenyl-5-(2-phenylpropan-2-yl)pyridine;4-phenyl-2-phenylpyridine

O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCCCN1CCCC1=O

N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

CCC[C@H](C)NCCP(=O)(O)O

2-[[(2S)-pentan-2-yl]amino]ethylphosphonic acid

CCCNCc1c(Sc2nnc(C)s2)nc2sccn12

N-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine

COc1cc2ncc(-c3cccc(N[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C(F)(F)F)n3)n2cc1-c1cnn(C)c1

tert-butyl (3R,4S)-3-[[6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-yl]amino]-4-(trifluoromethyl)pyrrolidine-1-carboxylate

c1ccc(-n2c3[n+](c4ccccc42)[B-]2(Oc4ccccc4-3)c3ccccc3-c3ccccc32)cc1

17'-phenylspiro[8-boranuidatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-8,9'-8-oxa-17-aza-10-azonia-9-boranuidatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaene]

Cl.Cl.NC(=O)OCc1ccccc1

benzyl carbamate;dihydrochloride

Clc1cccc(C(Cl)Cc2ccccn2)c1Cl

2-[2-chloro-2-(2,3-dichlorophenyl)ethyl]pyridine

CCC(=O)c1c[nH]c2c(c1=O)CCC2

3-propanoyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-one

CCC(C(=O)Nc1ccc(C)cc1C)n1nc(-c2ccccc2)ccc1=O

N-(2,4-dimethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide

Cl.O=C(c1ccc(Br)s1)N1CCNCC1c1cccc(F)c1

(5-bromothiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

NC(Cc1cc(Cl)ccc1F)c1ccc(Cl)cn1

2-(5-chloro-2-fluorophenyl)-1-(5-chloropyridin-2-yl)ethanamine

CC(=O)NCCNc1ncc2ccccc2n1

N-[2-(quinazolin-2-ylamino)ethyl]acetamide

CCCCCNS(=O)(=O)c1ccc(C(=O)NCCC)cc1

4-(pentylsulfamoyl)-N-propylbenzamide

COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2sc3c(c2C#N)CCCC3)cc1

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide

CC(=O)Nc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)c2c1OC(=O)/C=C/C(=O)O2

(3E)-7-acetamido-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,5-dioxo-N-phenyl-1,6-benzodioxocine-10-carboxamide

CC1(C)CC(=O)C=C(Nc2c(N)ccnc2N)C1

3-[(2,4-diaminopyridin-3-yl)amino]-5,5-dimethylcyclohex-2-en-1-one

CCC1NN(SC(Cl)(Cl)Cl)C(=O)N1c1cccc(Cl)c1

4-(3-chlorophenyl)-5-ethyl-2-(trichloromethylsulfanyl)-1,2,4-triazolidin-3-one

C#CCC(O)C[C@@H](C=C)NS(=O)(=O)c1ccc(C)cc1

N-[(3S)-5-hydroxyoct-1-en-7-yn-3-yl]-4-methylbenzenesulfonamide

COc1ccc(-c2nsc3c(SCC(=O)Nc4ccc5c(c4)OCO5)ncnc23)cc1

N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide

O=C(Nc1ccccn1)C(SC1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

2-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentylsulfanyl-N-pyridin-2-ylacetamide

CC1CCc2c(sc3nc(-c4ccc(C(C)(C)C)cc4)[nH]c(=O)c23)C1

2-(4-tert-butylphenyl)-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

CNc1c(N)n(C)c(=O)n(C)c1=O

6-amino-1,3-dimethyl-5-(methylamino)pyrimidine-2,4-dione

CC1CCC2C1CC1CCN2C1

5-methyl-1-azatricyclo[6.2.1.02,6]undecane

CC(C)(C)c1ccc(-c2noc(CN3C(=O)N(Cc4ccco4)C(=O)C4CCCCC43)n2)cc1

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(furan-2-ylmethyl)-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione

CN(C)C(=O)CN=C(NCCSc1ccccc1)NCCc1ccc(Cl)nc1.I

2-[[[2-(6-chloropyridin-3-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C

[(2R)-1-[hydroxy-[(2R)-2-hydroxy-3-[hydroxy-[(2R)-2-(12-methyltridecanoyloxy)-3-tetradecanoyloxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-3-(14-methylpentadecanoyloxy)propan-2-yl] docosanoate

c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4Oc4ccccc4-c4cccc6cccc-5c46)c4ccccc34)c2)cc1

6-[10-(3-phenylphenyl)anthracen-9-yl]-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene

C=CCCCOCc1ccccc1C(=O)O.CC

ethane;2-(pent-4-enoxymethyl)benzoic acid

CC=NC(=S)S

ethylidenecarbamodithioic acid

CN(C)CCN(C)C.COCCN(Cc1cc(C)cc(C(C)(C)C)c1[O-])Cc1cc(C)cc(C(C)(C)C)c1[O-].[Yb+2]

2-tert-butyl-6-[[(3-tert-butyl-5-methyl-2-oxidophenyl)methyl-(2-methoxyethyl)amino]methyl]-4-methylphenolate;N,N,N',N'-tetramethylethane-1,2-diamine;ytterbium(2+)

CC(=O)NC12CC3CC(C1)C(=NO)C(C3)C2

N-(4-hydroxyimino-1-adamantyl)acetamide

CCc1c(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1C[C@H]1CCCN1CC

2-ethyl-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyridin-4-one

Cc1nccc(CNS(=O)(=O)c2c(Cl)nc3sccn23)n1

6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

Cc1cc(C)c(B(c2ccc(-c3cc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)cc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)c3)cc2)c2c(C)cc(C)cc2C)c(C)c1

[4-[3,5-bis[4-bis(2,4,6-trimethylphenyl)boranylphenyl]phenyl]phenyl]-bis(2,4,6-trimethylphenyl)borane

CC(=C1SC[C@H]2NCN[C@@H]12)C(C)(Cc1ccccc1)C(=O)C(=O)OCc1ccccc1

benzyl 4-[(3aR,6aS)-1,2,3,3a,6,6a-hexahydrothieno[3,4-d]imidazol-4-ylidene]-3-benzyl-3-methyl-2-oxopentanoate

CC(F)(F)Cc1ccccc1-c1noc(CN)n1

[3-[2-(2,2-difluoropropyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

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

2-(1-aminoethyl)-5-methylphenol

O=S(=O)(N=C1Nc2ccccc2C12CCCC2)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl

2-(8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctoxy)-1,1,2,2-tetrafluoro-N-spiro[1H-indole-3,1'-cyclopentane]-2-ylideneethanesulfonamide

CCOC(=O)C(Cc1ccc(OC)cc1Cl)C(C)=O

ethyl 2-[(2-chloro-4-methoxyphenyl)methyl]-3-oxobutanoate

Cn1ccnc1NCC[C@@H]1CCCN1

1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]imidazol-2-amine

CCc1ccc(CC)c(C(=O)CBr)c1

2-bromo-1-(2,5-diethylphenyl)ethanone

COC(CNC(=O)c1cccnc1F)OC

N-(2,2-dimethoxyethyl)-2-fluoropyridine-3-carboxamide

CCc1cc(CCN)ccc1CNC(=O)OC(C)(C)C

tert-butyl N-[[4-(2-aminoethyl)-2-ethylphenyl]methyl]carbamate

C=Cc1cc(CNC(=C)C2CCCN(C(=C)NC(C)C)C2)cc(C(C)(C)F)c1

N-[1-[3-[1-[[3-ethenyl-5-(2-fluoropropan-2-yl)phenyl]methylamino]ethenyl]piperidin-1-yl]ethenyl]propan-2-amine

CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc[n+](O)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cnno1.CC(C)c1cocn1.CC(C)c1conn1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncno1.CC(C)c1ncon1.CCCc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ncc(C(C)C)[nH]1.Cc1ncc(C(C)C)cn1.Cc1ncc(C(C)C)n1C

2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-ylpyridin-2-yl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)pyridine

CNc1ncnc2c1ncn2[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@]2(COCc3ccccc3)C[C@H]12

9-[(1R,2R,4S,5R,6S)-8,8-dimethyl-2-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-5-yl]-N-methylpurin-6-amine

Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(N=C(N)CCl)c1

2-chloro-N'-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-methylphenyl]ethanimidamide

Cc1cc2c(cc1F)NC(=O)CCN2c1ccccc1C

8-fluoro-7-methyl-5-(2-methylphenyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

OC(c1cc(F)cc(F)c1)c1ccncc1F

(3,5-difluorophenyl)-(3-fluoropyridin-4-yl)methanol

CC[C@H](C)[C@H](NCC(=O)OC(C)(C)C)C(=O)N1C[C@@H](F)C[C@H]1C#N

tert-butyl 2-[[(2S,3S)-1-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]acetate

Cc1ccc(NC(=O)N2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)cc1

(2S)-2-N,2-N-dimethyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

O=C([O-])CN1C(=O)C2CC=C(Cl)CC2C1=O

2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate

CCN(C(=O)C(C)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)c1ccccc1

[1-(N-ethylanilino)-1-oxopropan-2-yl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

COc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4sc(C(C)(C)C)cc4C#N)c3C)[nH]c2cn1

5-tert-butyl-2-[3-[(E)-2-cyano-2-(6-methoxy-3H-imidazo[4,5-c]pyridin-2-yl)ethenyl]-2,5-dimethylpyrrol-1-yl]thiophene-3-carbonitrile

CN(CCCN)CCCNC(=O)C=CC(=O)NCCCN(C)CCCN

N,N'-bis[3-[3-aminopropyl(methyl)amino]propyl]but-2-enediamide

C/C=C(\c1sccc1Cl)[N+](=O)[O-]

3-chloro-2-[(E)-1-nitroprop-1-enyl]thiophene

COC(=O)CCCCCC(O)C1CCC2OC(=O)CC21C

methyl 7-(3a-methyl-2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4-yl)-7-hydroxyheptanoate

NC(CC(=O)O)c1cccc(N2C=NCC2)c1

3-amino-3-[3-(4,5-dihydroimidazol-1-yl)phenyl]propanoic acid

Cc1ccc(-c2cnc3cc(C(N)=O)ccc3n2)cc1

2-(4-methylphenyl)quinoxaline-6-carboxamide

COc1ccc([C@H](C[NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[NH+](C)C)cc1

[(1R)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylazaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium

CC1(C)CC1Nc1c(N)cc(N)c(Cl)c1F

5-chloro-1-N-(2,2-dimethylcyclopropyl)-6-fluorobenzene-1,2,4-triamine

CC(=O)N1CC=C[C@@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O

(3R,6S,9S,12S,15S,20S,23S)-15-[[(2R)-2-[[(2R)-2-[[(2R)-1-acetyl-2,5-dihydropyrrole-2-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(3-carbamimidamidopropyl)-12-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-9-(naphthalen-2-ylmethyl)-2,5,8,11,14,17,22-heptaoxo-1,4,7,10,13,18,21-heptazabicyclo[21.3.0]hexacosane-20-carboxamide

C1SC2COCC2S1

3a,4,6,6a-tetrahydro-[1,3]dithiolo[4,5-c]furan

CC1c2cc(CC(C)(C)N3CCc4ccccc4C3)ccc2CCN1C(C)(C)C

2-tert-butyl-7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-methyl-3,4-dihydro-1H-isoquinoline

CC(C)(F)C1CCC(=O)CC1

4-(2-fluoropropan-2-yl)cyclohexan-1-one

COc1ccc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1OCc1ccccc1

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]acetamide

Cc1ccc(-c2noc(C3CN(C(=O)O)C3)n2)cc1NC(=O)c1cnc2ccc(COCCF)cn12

3-[3-[3-[[6-(2-fluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylic acid

C[C@H]1CN(c2cnc(Br)cn2)CCN1C(=O)O

(2S)-4-(5-bromopyrazin-2-yl)-2-methylpiperazine-1-carboxylic acid

CNC(Cn1cncn1)C(N)=O

2-(methylamino)-3-(1,2,4-triazol-1-yl)propanamide

COCO[C@H]1C(=O)N(COC)[C@H]1[C@H]1COC(C)(C)O1

(3R,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)-1-(methoxymethyl)azetidin-2-one

O=C(NC1C2CC3CC(C2)CC1C3)c1cccc(F)c1

N-(2-adamantyl)-3-fluorobenzamide

CCNc1cc(C(=O)Nc2c(F)cccc2Br)cc(Cl)n1

N-(2-bromo-6-fluorophenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide

COCCOCCO/C=C/c1ccccc1

[(E)-2-[2-(2-methoxyethoxy)ethoxy]ethenyl]benzene

COc1c(N2CCC(O)(CO)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

1-cyclopropyl-6-fluoro-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid

C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C/C(C)=C/CC[C@@](C)(OC(C)=O)[C@H]2O1

[(1S,2R,6R,7R,8S,9R,12E)-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-yl] acetate

O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)c2ccncc12

N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-nitroisoquinolin-5-amine

CCC(CC)C(=O)N(c1ccccc1)C1CCC(C(c2ccccc2)N(C)C)CC1.Cl

N-[4-[dimethylamino(phenyl)methyl]cyclohexyl]-2-ethyl-N-phenylbutanamide;hydrochloride

CC(C)n1ncc2c(C(=O)NCc3c(F)cccc3F)cc(-c3cccc(CNCCN)c3)nc21

6-[3-[(2-aminoethylamino)methyl]phenyl]-N-[(2,6-difluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

O=C1CC=CC2=C1CC1=C(C=CCC1C(=O)O)O2

8-oxo-1,2,7,9-tetrahydroxanthene-1-carboxylic acid

O=C1CC(C2CC2)Nc2ncc(Br)cc2N1

8-bromo-4-cyclopropyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

Cc1ccc(COc2ccc(CC(C)NC(=O)c3cnc(N)nc3C)cc2)cc1

2-amino-4-methyl-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]pyrimidine-5-carboxamide

CCN1CCCC1CNc1nc(Nc2ccc(OC)c(Cl)c2)nc(NC2CCCCCC2)n1

4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

CC1(C)CN(c2ccc(C#N)cc2)C(C)(C)C(=O)N1

4-(2,2,5,5-tetramethyl-3-oxopiperazin-1-yl)benzonitrile

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

N-[(6R)-6-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl]-N-octadecyloctadecan-1-amine

O=[N+]([O-])c1ccc(OP(=O)(Cl)Oc2ccc3ccccc3c2-c2nc3ccccc3o2)cc1

2-[2-[chloro-(4-nitrophenoxy)phosphoryl]oxynaphthalen-1-yl]-1,3-benzoxazole

COc1nc(-c2ccc(C)cc2)n(-c2ccc(N)cc2)n1

4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]aniline