AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-20

SMILES stringlengths 2 783	IUPAC stringlengths 6 1.27k
Cn1cc(CN2CC[C@@H](O)C2)cc(C(=O)Nc2cccc(-c3cccc(Nc4nccc5cc(CN6CC(C(=O)O)C6)cnc45)c3Cl)c2Cl)c1=O	1-[[8-[2-chloro-3-[2-chloro-3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylic acid
CCN(C(=O)Oc1ccc(NC(=O)c2ccccc2-c2ccc(OC)cc2)cc1-c1cccc(NC(=O)OC(C)(C)C)n1)C(C)(C)C	[4-[[2-(4-methoxyphenyl)benzoyl]amino]-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]phenyl] N-tert-butyl-N-ethylcarbamate
CC(C)c1nc2ccc(NC(=O)c3ccc(CN4CCOCC4)o3)cc2s1	5-(morpholin-4-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CC(C)(NC(=O)c1c(Br)cccc1C(F)(F)F)c1ccccn1	2-bromo-N-(2-pyridin-2-ylpropan-2-yl)-6-(trifluoromethyl)benzamide
CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OCC	(3E)-5-chloro-3-[(3-ethoxy-4-propoxyphenyl)methylidene]-1H-indol-2-one
CCCCCCCC/C=C\CCCCCC(=O)OC(/C=C/CCCCCCCCCCC)C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC/C=C/C=C/CCCCCCCCC	2-[[(E)-3-[(Z)-hexadec-7-enoyl]oxy-2-[[(7E,9E)-nonadeca-7,9-dienoyl]amino]hexadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CC1(CN2CCCNC(Cc3ccccc3)C2)CCCS1	3-benzyl-1-[(2-methylthiolan-2-yl)methyl]-1,4-diazepane
O=CCCCC(O)NC(=O)NC(O)CCCC=O	1,3-bis(1-hydroxy-5-oxopentyl)urea
O=C(Nc1ccc(OC(=O)N2CCN(c3ccccn3)CC2)nc1)c1ccccc1	(5-benzamidopyridin-2-yl) 4-pyridin-2-ylpiperazine-1-carboxylate
Br.Cc1ccc(OC(C)Cc2ccc(CN3CCN(C(=O)/C=C/c4cc(C)c(Oc5ccc(OCc6ccccc6Cl)cn5)c(Cl)c4)CC3)cc2)cc1	(E)-3-[3-chloro-4-[5-[(2-chlorophenyl)methoxy]pyridin-2-yl]oxy-5-methylphenyl]-1-[4-[[4-[2-(4-methylphenoxy)propyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one;hydrobromide
CCc1cc2c(ccc(=O)n2Cc2ccc(-c3cc(C)sc3S(=O)(=O)O)c(F)c2)c(CC)n1	3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-fluorophenyl]-5-methylthiophene-2-sulfonic acid
NC1Cc2noc(-c3ccccc3Br)c2C1	3-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-5-amine
CN=C(NCCCN1CCCC1C(=O)N(C)C)NC(C)Cc1ccc(C)s1	N,N-dimethyl-1-[3-[[N'-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
CC[C@@]12CCCN(C1)C(=O)/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc1ccccc1CNC(=O)[C@H](Cc1ccco1)NC2=O	(1R,4S,17S,22E)-N-[2-(2-aminoethoxy)ethyl]-1-ethyl-4-(furan-2-ylmethyl)-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12,22-tetraene-17-carboxamide
CCc1cc(NC2CCCN(c3ccccc3Cl)C2=O)nc(C)n1	1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-2-one
CC(C)N1CC(C)(N(C)c2cc3c(cc2-c2ccccc2)OCC2=NNC(=O)C(C)N23)C1	1-methyl-9-[methyl-(3-methyl-1-propan-2-ylazetidin-3-yl)amino]-8-phenyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CCCCCCCCCCNC(C)(C)c1ncco1.O=C(O)c1ccc(C(F)(F)F)c(OCC2CC2)n1	6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid;N-[2-(1,3-oxazol-2-yl)propan-2-yl]decan-1-amine
NC(=O)C1CCCN(C(=O)CCCl)C1	1-(3-chloropropanoyl)piperidine-3-carboxamide
CC(C)C(C)N(C)c1cccc(Cl)c1CN	2-(aminomethyl)-3-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CN(C(=O)CCC#N)c1ccc[nH]1	3-cyano-N-methyl-N-(1H-pyrrol-2-yl)propanamide
O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1	(1,3-dioxoisoindol-2-yl) 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CC(C)c1ccc(C(C)NCc2cccc(F)c2F)cc1	N-[(2,3-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
Cc1ccc(-c2ccc(C#N)c(=O)[nH]2)s1	6-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CNC[C@@H]3CC2)cc1.Cl	4-[(3aS,8aR)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-6-carbonyl]-N-ethylbenzenesulfonamide;hydrochloride
Cc1cc(NC(=O)c2ccc[nH]2)cc(C)c1Br	N-(4-bromo-3,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CCCCC(CC)Cn1c2ccc(/C(CC(C)CC(C)(C)C)=N\OC(C)=O)cc2c2cc(C(=O)c3cc4c5cc(/C(CC(C)CC(C)(C)C)=N/OC(C)=O)ccc5n(CC(CC)CCCC)c4c4ccccc34)c3ccccc3c21	[(Z)-[1-[5-[8-[(E)-N-acetyloxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]-11-(2-ethylhexyl)benzo[a]carbazole-5-carbonyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-3,5,5-trimethylhexylidene]amino] acetate
CC(C)Nc1ccc(CN=NCc2cccc(/C=N\NC(=O)c3ccc(NC(C)C)cc3)c2)cc1	4-(propan-2-ylamino)-N-[(Z)-[3-[[[4-(propan-2-ylamino)phenyl]methyldiazenyl]methyl]phenyl]methylideneamino]benzamide
c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc(-c3ccc4ccccc4c3)c2-n2c3ccccc3c3cc4ccccc4cc32)cc1	5-[2-naphthalen-2-yl-4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]benzo[b]carbazole
COc1c(C(C)(C)C)cc(C2=CC=C(C)CC2=O)c2ncc(OCCCNS(C)(=O)=O)cc12	N-[3-[6-tert-butyl-5-methoxy-8-(4-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinolin-3-yl]oxypropyl]methanesulfonamide
O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1	1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
Cc1cnc(COc2cc(C)n(-c3cc(-c4cccc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)c(F)c1	3-chloro-4-[(3-fluoro-5-methylpyridin-2-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-5-methylpyridin-4-yl]-6-methylpyridin-2-one
COc1ccc(-c2nc(-c3cc(C(=O)N4CCN(C(C)=O)CC4)c(C)n3Cc3ccccc3)cs2)cc1	1-[4-[1-benzyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CC(C)(C)OC(=O)NC1CC(Nc2nc(Cl)nc3ccsc23)C1	tert-butyl N-[3-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]carbamate
CCCCCCCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1	1-[4-(4-fluorophenyl)piperazin-1-yl]dodecan-1-one
CC1C(n2c(N)n[nH]c2=S)CCN1Cc1ccccc1	3-amino-4-(1-benzyl-2-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-5-thione
Cc1cc2nc(C(O)c3ccccc3)n(CC(=O)N(C(C)C)C(C)C)c2cc1C	2-[2-[hydroxy(phenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
C/C=C/CCCCCCCCC1NC=CN1	2-[(E)-undec-9-enyl]-2,3-dihydro-1H-imidazole
Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CNC(=O)c2ccoc2C)c1C	N-[2-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
C[C@H]1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2cccnc21	[4-methyl-1-[3-[(4S)-4-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CC[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O	(3S,4R)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid
CC(CC1CCCN1)Nc1ccc(N2CCCC2=O)cc1	1-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]pyrrolidin-2-one
CCCCC[C@@]12O[C@@H]1CC[C@@H]2CC(=O)OC	methyl 2-[(1S,2R,5R)-1-pentyl-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CC(=O)NCCNc1nc2cc(-c3ccc4c(ccn4C)c3)sc2c(=O)n1C	N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide
Cc1cccc(C[C@@H](O)/C=C/[C@@H]2[C@H]3CC(CCCCCNCc4ccncc4)=C[C@H]3C[C@H]2O)c1	(2R,3R,3aS,6aS)-3-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-[5-(pyridin-4-ylmethylamino)pentyl]-1,2,3,3a,4,6a-hexahydropentalen-2-ol
CC(=O)Nc1ccc(N[C@@H]2CCC[C@H]2O)cc1	N-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]phenyl]acetamide
CCOc1cc(CO)cc(Cl)c1OCc1cccc(C)c1	[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanol
C/C=C/O/N=C(\C)C1C=CC(c2ccc(C3CCC(c4ccccc4C)=N3)cc2)=CC1.CC.CC(F)(F)F	ethane;(E)-1-[4-[4-[5-(2-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]cyclohexa-2,4-dien-1-yl]-N-[(E)-prop-1-enoxy]ethanimine;1,1,1-trifluoroethane
O=C1C(=Cc2ccc(O)c(O)c2)NS(=O)(=O)c2ccccc21	3-[(3,4-dihydroxyphenyl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one
Cc1cc(CNc2cccc(Cl)c2N(C)C)c(C)s1	3-chloro-1-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CC1C(=O)NC(C)(C)C(=O)N1Cc1ccn(C(C)C)n1	3,3,6-trimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,5-dione
C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NCc1ccc2c(c1)OCO2	(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanamide
CC(C)(O)C[C@]1(c2ccccc2)CCN([C@H]2CCCN(c3ccnc(C(C)(F)F)n3)C2)C(=O)O1.COc1cnc(N2CCC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1.Cc1cnc(N2CCC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1.Cc1cnc(N2CCC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1.Cc1cnc(N2CC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1	(6S)-3-[(3S)-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]piperidin-3-yl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(3S)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(3S)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(3S)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]-6-phenyl-1,3-oxazinan-2-one
COc1ccc(Oc2cncc(N3CCCC(CCC(=O)OC(C)(C)C)C3)n2)cc1	tert-butyl 3-[1-[6-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-3-yl]propanoate
N#Cc1ccc(S(=O)(=O)N2CCOC(CO)C2)c(Cl)c1	3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]sulfonylbenzonitrile
CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC	N-[(4-bromophenyl)methyl]-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanamide
[2H][13C]([2H])([2H])C1(CC)CC(=O)NC1=O	3-ethyl-3-(trideuterio(113C)methyl)pyrrolidine-2,5-dione
Cc1nn2ccc(N3CCC[C@H]3C(F)(F)F)nc2c1C(=O)Nc1ccncn1	2-methyl-N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CN1CCN(c2ccnc3ccc(/C(=C/C#N)C(=N)C(F)(F)F)cc23)CC1	(Z)-5,5,5-trifluoro-4-imino-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]pent-2-enenitrile
Cc1cnc(C(=O)N2CCC(c3nc(CCOCc4ccccc4)no3)C2)cn1	(5-methylpyrazin-2-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CC(=O)OCCOC(=O)CCC(=O)OCCOC(C)=O	bis(2-acetyloxyethyl) butanedioate
CC(C)(N)c1nnn(C(C)(C)C)n1	2-(2-tert-butyltetrazol-5-yl)propan-2-amine
CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C	[(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-(11-methyldodecanoyloxy)-2-(12-methyltetradecanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-(11-methyldodecanoyloxy)propyl] 20-methylhenicosanoate
O=S(=O)(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1	4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
Cc1ccc(C(=O)N(CC(N)=NO)C(C)C)cc1Cl	N-(2-amino-2-hydroxyiminoethyl)-3-chloro-4-methyl-N-propan-2-ylbenzamide
CN(C)S(=O)(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1	(4S)-1-tert-butyl-4-[[dimethylsulfamoyl(methyl)amino]methyl]pyrrolidin-2-one
C.C.C.C.C.C.C.C.C.C.CC(C)CC(NC(C)C)C(=O)O.CC(C)CC(NC(C)C)C(N)=O.CC(C)CCCCNCC(C)C.CC(C)CCCNC(C)C.CC(C)CNC(C)C(=O)C(C)C.CC(C)CNC(CC(C)C)C(=O)O.CC(C)CNC(CC(C)C)C(N)=O.CC(C)CNCCOCCOCCC(=O)C(C)C.CC(C)NC(C)C(=O)C(C)C.CC(C)NCCOCCOCCC(=O)C(C)C	methane;4-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]pentan-3-one;4-methyl-2-(2-methylpropylamino)pentanamide;4-methyl-2-(2-methylpropylamino)pentanoic acid;2-methyl-4-(2-methylpropylamino)pentan-3-one;5-methyl-N-(2-methylpropyl)hexan-1-amine;4-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one;4-methyl-2-(propan-2-ylamino)pentanamide;4-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-4-(propan-2-ylamino)pentan-3-one;4-methyl-N-propan-2-ylpentan-1-amine
CC(C)(C)c1ccccc1OCC(=O)NCC(C(=O)O)C1CCOCC1	3-[[2-(2-tert-butylphenoxy)acetyl]amino]-2-(oxan-4-yl)propanoic acid
O=C(Nc1ccc(Cl)c(Cl)c1)N(CCc1cccs1)Cc1ccco1	3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
C=CC(=O)CCCCNC(=O)CO.CCCCOCCCC	1-butoxybutane;2-hydroxy-N-(5-oxohept-6-enyl)acetamide
C1CN1P1N=NN=PP1	4-(aziridin-1-yl)-5H-triazatriphosphinine
C[C@H]1Cc2sc(C#N)cc2CN1	(6S)-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonitrile
CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3csc(-c4ccccn4)n3)n2c1	N,N-diethyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21	2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC4)[C@@H]3C[C@H]12	(3S,3aS,4aR,8aR,9aR)-8a-methyl-5-methylidene-3-(pyrrolidin-1-ylmethyl)-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Cc1ccccc1C(C#N)CC(=O)NCC1CCCO1	3-cyano-3-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CCCNCC(C)S(=O)(=O)NC(CC(C)C)CN(C)C	N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
Cc1ccc2nc(NC(=O)CSc3ccc(NC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C(=O)O)cc3)sc2c1	2,3,4,5-tetrachloro-6-[[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2c(c1C)OC(C1CCC(N(C)C)CC1)OC2	5-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-4H-1,3-benzodioxine-7-carboxamide
CCCP(C)(=O)c1nc(NCc2ccc(OC)cc2)c2ncn(Cc3ccc(OC)cc3)c2n1	N,9-bis[(4-methoxyphenyl)methyl]-2-[methyl(propyl)phosphoryl]purin-6-amine
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CCCC(CCC)C(=O)[O-].[NH3+]CC[NH3+]	2-azaniumylethylazanium;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;2-propylpentanoate
C=C(C)C1CCC(C)CC1O.CC1CCC(C(C)C)C(=O)C1	5-methyl-2-propan-2-ylcyclohexan-1-one;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
Cc1ccnc2nc(C(=O)NNC(=O)c3cccc(Cl)c3)nn12	N'-(3-chlorobenzoyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CCCCC1CCCC1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	N-(2-butylcyclopentyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
NC(=O)c1nc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)nc(N2CCOCC2)n1	4-morpholin-4-yl-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,3,5-triazine-2-carboxamide
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1	tert-butyl N-[(2S)-1-(1,3-dihydroisoindol-2-yl)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,5-dioxopentan-2-yl]carbamate
CC(C)CC1CNC2(CCCC2)CN1Cc1cnn(C)c1	8-(2-methylpropyl)-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CC(O)CC(=N)c1cccc(Oc2ccccc2)c1	4-imino-4-(3-phenoxyphenyl)butan-2-ol
O=C(NCCC1CCNCC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1	[2-(2-piperidin-4-ylethylcarbamoylamino)-1,3-benzothiazol-6-yl] 2,6-dichlorobenzenesulfonate
CC[C@@H]1C[C@@H](C)CN1C(=O)NCCSSCCNC(=O)NCCSSCCN	(2R,4R)-N-[2-[2-[2-(2-aminoethyldisulfanyl)ethylcarbamoylamino]ethyldisulfanyl]ethyl]-2-ethyl-4-methylpyrrolidine-1-carboxamide
CC[C@H]1C(=O)NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21	(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one
COC(=O)C1CC(CCCC(C)(C)O)=CCO1	methyl 4-(4-hydroxy-4-methylpentyl)-3,6-dihydro-2H-pyran-2-carboxylate
CCCC[C@@H](O)C[C@H](C)C(C)(C)O	(3S,5R)-2,3-dimethylnonane-2,5-diol
CO[Si](Cl)(OC)C(C)Cl	chloro-(1-chloroethyl)-dimethoxysilane
C[C@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1	2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCC(F)(F)F	2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CCc1nc(NC)c(C)c(Sc2nccs2)n1	2-ethyl-N,5-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
Cc1cc(C)c(CS(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1	2-[(2R)-3-oxo-1-[(2,4,6-trimethylphenyl)methylsulfonyl]piperazin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
O=C(O)[C@H](NC(=O)N1CC(O)C(O)C1)c1ccccc1Cl	(2R)-2-(2-chlorophenyl)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]acetic acid
Cn1cccc1C(=O)NCCS(N)(=O)=O	1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CC(C)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1	N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-propan-2-ylphenoxy)acetamide

Cn1cc(CN2CC[C@@H](O)C2)cc(C(=O)Nc2cccc(-c3cccc(Nc4nccc5cc(CN6CC(C(=O)O)C6)cnc45)c3Cl)c2Cl)c1=O

1-[[8-[2-chloro-3-[2-chloro-3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]anilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylic acid

CCN(C(=O)Oc1ccc(NC(=O)c2ccccc2-c2ccc(OC)cc2)cc1-c1cccc(NC(=O)OC(C)(C)C)n1)C(C)(C)C

[4-[[2-(4-methoxyphenyl)benzoyl]amino]-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]phenyl] N-tert-butyl-N-ethylcarbamate

CC(C)c1nc2ccc(NC(=O)c3ccc(CN4CCOCC4)o3)cc2s1

5-(morpholin-4-ylmethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)furan-2-carboxamide

CC(C)(NC(=O)c1c(Br)cccc1C(F)(F)F)c1ccccn1

2-bromo-N-(2-pyridin-2-ylpropan-2-yl)-6-(trifluoromethyl)benzamide

CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1OCC

(3E)-5-chloro-3-[(3-ethoxy-4-propoxyphenyl)methylidene]-1H-indol-2-one

CCCCCCCC/C=C\CCCCCC(=O)OC(/C=C/CCCCCCCCCCC)C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC/C=C/C=C/CCCCCCCCC

2-[[(E)-3-[(Z)-hexadec-7-enoyl]oxy-2-[[(7E,9E)-nonadeca-7,9-dienoyl]amino]hexadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

CC1(CN2CCCNC(Cc3ccccc3)C2)CCCS1

3-benzyl-1-[(2-methylthiolan-2-yl)methyl]-1,4-diazepane

O=CCCCC(O)NC(=O)NC(O)CCCC=O

1,3-bis(1-hydroxy-5-oxopentyl)urea

O=C(Nc1ccc(OC(=O)N2CCN(c3ccccn3)CC2)nc1)c1ccccc1

(5-benzamidopyridin-2-yl) 4-pyridin-2-ylpiperazine-1-carboxylate

Br.Cc1ccc(OC(C)Cc2ccc(CN3CCN(C(=O)/C=C/c4cc(C)c(Oc5ccc(OCc6ccccc6Cl)cn5)c(Cl)c4)CC3)cc2)cc1

(E)-3-[3-chloro-4-[5-[(2-chlorophenyl)methoxy]pyridin-2-yl]oxy-5-methylphenyl]-1-[4-[[4-[2-(4-methylphenoxy)propyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one;hydrobromide

CCc1cc2c(ccc(=O)n2Cc2ccc(-c3cc(C)sc3S(=O)(=O)O)c(F)c2)c(CC)n1

3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-fluorophenyl]-5-methylthiophene-2-sulfonic acid

NC1Cc2noc(-c3ccccc3Br)c2C1

3-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-5-amine

CN=C(NCCCN1CCCC1C(=O)N(C)C)NC(C)Cc1ccc(C)s1

N,N-dimethyl-1-[3-[[N'-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide

CC[C@@]12CCCN(C1)C(=O)/C=C/C(=O)NCC[C@@H](C(=O)NCCOCCN)NC(=O)Cc1ccccc1CNC(=O)[C@H](Cc1ccco1)NC2=O

(1R,4S,17S,22E)-N-[2-(2-aminoethoxy)ethyl]-1-ethyl-4-(furan-2-ylmethyl)-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12,22-tetraene-17-carboxamide

CCc1cc(NC2CCCN(c3ccccc3Cl)C2=O)nc(C)n1

1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-2-one

CC(C)N1CC(C)(N(C)c2cc3c(cc2-c2ccccc2)OCC2=NNC(=O)C(C)N23)C1

1-methyl-9-[methyl-(3-methyl-1-propan-2-ylazetidin-3-yl)amino]-8-phenyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

CCCCCCCCCCNC(C)(C)c1ncco1.O=C(O)c1ccc(C(F)(F)F)c(OCC2CC2)n1

6-(cyclopropylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid;N-[2-(1,3-oxazol-2-yl)propan-2-yl]decan-1-amine

NC(=O)C1CCCN(C(=O)CCCl)C1

1-(3-chloropropanoyl)piperidine-3-carboxamide

CC(C)C(C)N(C)c1cccc(Cl)c1CN

2-(aminomethyl)-3-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline

CN(C(=O)CCC#N)c1ccc[nH]1

3-cyano-N-methyl-N-(1H-pyrrol-2-yl)propanamide

O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1

(1,3-dioxoisoindol-2-yl) 4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate

CC(C)c1ccc(C(C)NCc2cccc(F)c2F)cc1

N-[(2,3-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine

Cc1ccc(-c2ccc(C#N)c(=O)[nH]2)s1

6-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CNC[C@@H]3CC2)cc1.Cl

4-[(3aS,8aR)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine-6-carbonyl]-N-ethylbenzenesulfonamide;hydrochloride

Cc1cc(NC(=O)c2ccc[nH]2)cc(C)c1Br

N-(4-bromo-3,5-dimethylphenyl)-1H-pyrrole-2-carboxamide

CCCCC(CC)Cn1c2ccc(/C(CC(C)CC(C)(C)C)=N\OC(C)=O)cc2c2cc(C(=O)c3cc4c5cc(/C(CC(C)CC(C)(C)C)=N/OC(C)=O)ccc5n(CC(CC)CCCC)c4c4ccccc34)c3ccccc3c21

[(Z)-[1-[5-[8-[(E)-N-acetyloxy-C-(2,4,4-trimethylpentyl)carbonimidoyl]-11-(2-ethylhexyl)benzo[a]carbazole-5-carbonyl]-11-(2-ethylhexyl)benzo[a]carbazol-8-yl]-3,5,5-trimethylhexylidene]amino] acetate

CC(C)Nc1ccc(CN=NCc2cccc(/C=N\NC(=O)c3ccc(NC(C)C)cc3)c2)cc1

4-(propan-2-ylamino)-N-[(Z)-[3-[[[4-(propan-2-ylamino)phenyl]methyldiazenyl]methyl]phenyl]methylideneamino]benzamide

c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc(-c3ccc4ccccc4c3)c2-n2c3ccccc3c3cc4ccccc4cc32)cc1

5-[2-naphthalen-2-yl-4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]benzo[b]carbazole

COc1c(C(C)(C)C)cc(C2=CC=C(C)CC2=O)c2ncc(OCCCNS(C)(=O)=O)cc12

N-[3-[6-tert-butyl-5-methoxy-8-(4-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinolin-3-yl]oxypropyl]methanesulfonamide

O=C(CCc1ncc(-c2ccccc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1

1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

Cc1cnc(COc2cc(C)n(-c3cc(-c4cccc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)c(F)c1

3-chloro-4-[(3-fluoro-5-methylpyridin-2-yl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-5-methylpyridin-4-yl]-6-methylpyridin-2-one

COc1ccc(-c2nc(-c3cc(C(=O)N4CCN(C(C)=O)CC4)c(C)n3Cc3ccccc3)cs2)cc1

1-[4-[1-benzyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone

CC(C)(C)OC(=O)NC1CC(Nc2nc(Cl)nc3ccsc23)C1

tert-butyl N-[3-[(2-chlorothieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]carbamate

CCCCCCCCCCCC(=O)N1CCN(c2ccc(F)cc2)CC1

1-[4-(4-fluorophenyl)piperazin-1-yl]dodecan-1-one

CC1C(n2c(N)n[nH]c2=S)CCN1Cc1ccccc1

3-amino-4-(1-benzyl-2-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-5-thione

Cc1cc2nc(C(O)c3ccccc3)n(CC(=O)N(C(C)C)C(C)C)c2cc1C

2-[2-[hydroxy(phenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

C/C=C/CCCCCCCCC1NC=CN1

2-[(E)-undec-9-enyl]-2,3-dihydro-1H-imidazole

Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CNC(=O)c2ccoc2C)c1C

N-[2-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C[C@H]1CCN(c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)c2cccnc21

[4-methyl-1-[3-[(4S)-4-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

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

(3S,4R)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid

CC(CC1CCCN1)Nc1ccc(N2CCCC2=O)cc1

1-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]pyrrolidin-2-one

CCCCC[C@@]12O[C@@H]1CC[C@@H]2CC(=O)OC

methyl 2-[(1S,2R,5R)-1-pentyl-6-oxabicyclo[3.1.0]hexan-2-yl]acetate

CC(=O)NCCNc1nc2cc(-c3ccc4c(ccn4C)c3)sc2c(=O)n1C

N-[2-[[3-methyl-6-(1-methylindol-5-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]amino]ethyl]acetamide

Cc1cccc(C[C@@H](O)/C=C/[C@@H]2[C@H]3CC(CCCCCNCc4ccncc4)=C[C@H]3C[C@H]2O)c1

(2R,3R,3aS,6aS)-3-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-[5-(pyridin-4-ylmethylamino)pentyl]-1,2,3,3a,4,6a-hexahydropentalen-2-ol

CC(=O)Nc1ccc(N[C@@H]2CCC[C@H]2O)cc1

N-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]phenyl]acetamide

CCOc1cc(CO)cc(Cl)c1OCc1cccc(C)c1

[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methanol

C/C=C/O/N=C(\C)C1C=CC(c2ccc(C3CCC(c4ccccc4C)=N3)cc2)=CC1.CC.CC(F)(F)F

ethane;(E)-1-[4-[4-[5-(2-methylphenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]cyclohexa-2,4-dien-1-yl]-N-[(E)-prop-1-enoxy]ethanimine;1,1,1-trifluoroethane

O=C1C(=Cc2ccc(O)c(O)c2)NS(=O)(=O)c2ccccc21

3-[(3,4-dihydroxyphenyl)methylidene]-1,1-dioxo-1λ6,2-benzothiazin-4-one

Cc1cc(CNc2cccc(Cl)c2N(C)C)c(C)s1

3-chloro-1-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine

CC1C(=O)NC(C)(C)C(=O)N1Cc1ccn(C(C)C)n1

3,3,6-trimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,5-dione

C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NCc1ccc2c(c1)OCO2

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanamide

CC(C)(O)C[C@]1(c2ccccc2)CCN([C@H]2CCCN(c3ccnc(C(C)(F)F)n3)C2)C(=O)O1.COc1cnc(N2CCC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1.Cc1cnc(N2CCC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1.Cc1cnc(N2CCC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1.Cc1cnc(N2CC[C@H](N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)C2)nc1

(6S)-3-[(3S)-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]piperidin-3-yl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(3S)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(3S)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(3S)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]-6-phenyl-1,3-oxazinan-2-one

COc1ccc(Oc2cncc(N3CCCC(CCC(=O)OC(C)(C)C)C3)n2)cc1

tert-butyl 3-[1-[6-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-3-yl]propanoate

N#Cc1ccc(S(=O)(=O)N2CCOC(CO)C2)c(Cl)c1

3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]sulfonylbenzonitrile

CCCC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC

N-[(4-bromophenyl)methyl]-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanamide

[2H][13C]([2H])([2H])C1(CC)CC(=O)NC1=O

3-ethyl-3-(trideuterio(113C)methyl)pyrrolidine-2,5-dione

Cc1nn2ccc(N3CCC[C@H]3C(F)(F)F)nc2c1C(=O)Nc1ccncn1

2-methyl-N-pyrimidin-4-yl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CN1CCN(c2ccnc3ccc(/C(=C/C#N)C(=N)C(F)(F)F)cc23)CC1

(Z)-5,5,5-trifluoro-4-imino-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]pent-2-enenitrile

Cc1cnc(C(=O)N2CCC(c3nc(CCOCc4ccccc4)no3)C2)cn1

(5-methylpyrazin-2-yl)-[3-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

CC(=O)OCCOC(=O)CCC(=O)OCCOC(C)=O

bis(2-acetyloxyethyl) butanedioate

CC(C)(N)c1nnn(C(C)(C)C)n1

2-(2-tert-butyltetrazol-5-yl)propan-2-amine

CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OCC(O)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C

[(2R)-3-[hydroxy-[2-hydroxy-3-[hydroxy-[(2R)-3-(11-methyldodecanoyloxy)-2-(12-methyltetradecanoyloxy)propoxy]phosphoryl]oxypropoxy]phosphoryl]oxy-2-(11-methyldodecanoyloxy)propyl] 20-methylhenicosanoate

O=S(=O)(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1

4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide

Cc1ccc(C(=O)N(CC(N)=NO)C(C)C)cc1Cl

N-(2-amino-2-hydroxyiminoethyl)-3-chloro-4-methyl-N-propan-2-ylbenzamide

CN(C)S(=O)(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1

(4S)-1-tert-butyl-4-[[dimethylsulfamoyl(methyl)amino]methyl]pyrrolidin-2-one

C.C.C.C.C.C.C.C.C.C.CC(C)CC(NC(C)C)C(=O)O.CC(C)CC(NC(C)C)C(N)=O.CC(C)CCCCNCC(C)C.CC(C)CCCNC(C)C.CC(C)CNC(C)C(=O)C(C)C.CC(C)CNC(CC(C)C)C(=O)O.CC(C)CNC(CC(C)C)C(N)=O.CC(C)CNCCOCCOCCC(=O)C(C)C.CC(C)NC(C)C(=O)C(C)C.CC(C)NCCOCCOCCC(=O)C(C)C

methane;4-methyl-1-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]pentan-3-one;4-methyl-2-(2-methylpropylamino)pentanamide;4-methyl-2-(2-methylpropylamino)pentanoic acid;2-methyl-4-(2-methylpropylamino)pentan-3-one;5-methyl-N-(2-methylpropyl)hexan-1-amine;4-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one;4-methyl-2-(propan-2-ylamino)pentanamide;4-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-4-(propan-2-ylamino)pentan-3-one;4-methyl-N-propan-2-ylpentan-1-amine

CC(C)(C)c1ccccc1OCC(=O)NCC(C(=O)O)C1CCOCC1

3-[[2-(2-tert-butylphenoxy)acetyl]amino]-2-(oxan-4-yl)propanoic acid

O=C(Nc1ccc(Cl)c(Cl)c1)N(CCc1cccs1)Cc1ccco1

3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea

C=CC(=O)CCCCNC(=O)CO.CCCCOCCCC

1-butoxybutane;2-hydroxy-N-(5-oxohept-6-enyl)acetamide

C1CN1P1N=NN=PP1

4-(aziridin-1-yl)-5H-triazatriphosphinine

C[C@H]1Cc2sc(C#N)cc2CN1

(6S)-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonitrile

CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3csc(-c4ccccn4)n3)n2c1

N,N-diethyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

CC1(C)c2ccccc2-c2c(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cccc21

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline

C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC4)[C@@H]3C[C@H]12

(3S,3aS,4aR,8aR,9aR)-8a-methyl-5-methylidene-3-(pyrrolidin-1-ylmethyl)-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one

Cc1ccccc1C(C#N)CC(=O)NCC1CCCO1

3-cyano-3-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

CCCNCC(C)S(=O)(=O)NC(CC(C)C)CN(C)C

N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide

Cc1ccc2nc(NC(=O)CSc3ccc(NC(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C(=O)O)cc3)sc2c1

2,3,4,5-tetrachloro-6-[[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid

COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)c2c(c1C)OC(C1CCC(N(C)C)CC1)OC2

5-chloro-2-[4-(dimethylamino)cyclohexyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-8-methyl-4H-1,3-benzodioxine-7-carboxamide

CCCP(C)(=O)c1nc(NCc2ccc(OC)cc2)c2ncn(Cc3ccc(OC)cc3)c2n1

N,9-bis[(4-methoxyphenyl)methyl]-2-[methyl(propyl)phosphoryl]purin-6-amine

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CCCC(CCC)C(=O)[O-].[NH3+]CC[NH3+]

2-azaniumylethylazanium;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid;2-propylpentanoate

C=C(C)C1CCC(C)CC1O.CC1CCC(C(C)C)C(=O)C1

5-methyl-2-propan-2-ylcyclohexan-1-one;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

Cc1ccnc2nc(C(=O)NNC(=O)c3cccc(Cl)c3)nn12

N'-(3-chlorobenzoyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide

CCCCC1CCCC1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC

N-(2-butylcyclopentyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

NC(=O)c1nc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)nc(N2CCOCC2)n1

4-morpholin-4-yl-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1,3,5-triazine-2-carboxamide

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1

tert-butyl N-[(2S)-1-(1,3-dihydroisoindol-2-yl)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1,5-dioxopentan-2-yl]carbamate

CC(C)CC1CNC2(CCCC2)CN1Cc1cnn(C)c1

8-(2-methylpropyl)-9-[(1-methylpyrazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane

CC(O)CC(=N)c1cccc(Oc2ccccc2)c1

4-imino-4-(3-phenoxyphenyl)butan-2-ol

O=C(NCCC1CCNCC1)Nc1nc2ccc(OS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1

[2-(2-piperidin-4-ylethylcarbamoylamino)-1,3-benzothiazol-6-yl] 2,6-dichlorobenzenesulfonate

CC[C@@H]1C[C@@H](C)CN1C(=O)NCCSSCCNC(=O)NCCSSCCN

(2R,4R)-N-[2-[2-[2-(2-aminoethyldisulfanyl)ethylcarbamoylamino]ethyldisulfanyl]ethyl]-2-ethyl-4-methylpyrrolidine-1-carboxamide

CC[C@H]1C(=O)NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21

(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

COC(=O)C1CC(CCCC(C)(C)O)=CCO1

methyl 4-(4-hydroxy-4-methylpentyl)-3,6-dihydro-2H-pyran-2-carboxylate

CCCC[C@@H](O)C[C@H](C)C(C)(C)O

(3S,5R)-2,3-dimethylnonane-2,5-diol

CO[Si](Cl)(OC)C(C)Cl

chloro-(1-chloroethyl)-dimethoxysilane

C[C@H]1CCCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](C5CCC5)C5NNCN5C)C4)c(=O)n3c2)C1

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylazepan-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)NCC(F)(F)F

2-(4-benzoylpyridin-1-ium-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

CCc1nc(NC)c(C)c(Sc2nccs2)n1

2-ethyl-N,5-dimethyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

Cc1cc(C)c(CS(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1

2-[(2R)-3-oxo-1-[(2,4,6-trimethylphenyl)methylsulfonyl]piperazin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

O=C(O)[C@H](NC(=O)N1CC(O)C(O)C1)c1ccccc1Cl

(2R)-2-(2-chlorophenyl)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]acetic acid

Cn1cccc1C(=O)NCCS(N)(=O)=O

1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide

CC(C)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylethyl]-2-(4-propan-2-ylphenoxy)acetamide