AdrianM0/SMILES-to-IUPAC-BOOTSTRAP-ROUND-29

SMILES stringlengths 2 1.04k	IUPAC stringlengths 6 1.49k
C=CCCC(=O)NC[C@H](C)OC(=O)[C@@H]1[C@H]2O[C@@]3(CC2Br)[C@H](C(=O)N(CC=C)CCCC)N(CCCCO)C(=O)[C@@H]13	[(2S)-1-(pent-4-enoylamino)propan-2-yl] (1R,2R,5S,6S,7R)-8-bromo-2-[butyl(prop-2-enyl)carbamoyl]-3-(4-hydroxybutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
C[C@H]1[C@H](C)NO[C@@H]1NS(=O)(=O)c1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1	4-[[4-[[(3S,4S,5S)-3,4-dimethyl-1,2-oxazolidin-5-yl]sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
COC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccc(C#N)cc3)nn2)c1	methyl 3-[[6-[(4-cyanophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
NCC1CCN1c1nc(C(F)(F)F)ns1	[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-2-yl]methanamine
CC1(C)CN(c2cc(CO)ccn2)C[C@H]1c1ccccc1	[2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyridin-4-yl]methanol
O=c1n2c(c(O)n1-c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC2	6-(3,4-dichlorophenyl)-7-hydroxy-1,1-dioxo-2,3-dihydroimidazo[5,1-b][1,3]thiazol-5-one
c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)c(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)nc34)c2)cc1	9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5,8-bis(3-phenylphenyl)quinoxalin-2-yl]phenyl]-3,6-diphenylcarbazole
Cc1cc(N)nc(COc2ccccc2CCO)n1	2-[2-[(4-amino-6-methylpyrimidin-2-yl)methoxy]phenyl]ethanol
CCCCCCCC[P+](C)(C)CCCCCCCC.CCCS(=O)(=O)O	dimethyl(dioctyl)phosphanium;propane-1-sulfonic acid
CC(C)n1c(C(F)(F)F)nc2cc(CCN(CCNC=O)c3nc4ccccc4c(=O)[nH]3)ccc21	N-[2-[(4-oxo-3H-quinazolin-2-yl)-[2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]ethyl]amino]ethyl]formamide
COc1cc2c(cc1OC)C(CCN1CCN(c3ccccc3C)CC1)OCC(C)(C)C2	1-[2-(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)ethyl]-4-(2-methylphenyl)piperazine
NC(=S(=O)=O)[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2=O	(8R,9S,13R,14S)-13-[amino(sulfonyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CCOc1cccc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1	2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(3-ethoxyphenyl)phenyl]-2-methylpropanamide
CC.CC(C)C(=O)N1CCOCC1	ethane;2-methyl-1-morpholin-4-ylpropan-1-one
COc1ccccc1CCn1cnc2sc3c(c2c1=O)CCN(S(=O)(=O)c1ccc(C)cc1)C3	4-[2-(2-methoxyphenyl)ethyl]-11-(4-methylphenyl)sulfonyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
COC(=O)[C@H]1C[C@H](OC(=O)NCc2ccco2)[C@@]2(O)CN(S(=O)(=O)c3ccc(C)cc3)CC2[C@H]1C(=O)OC	dimethyl (4R,5S,7S,7aS)-7-(furan-2-ylmethylcarbamoyloxy)-7a-hydroxy-2-(4-methylphenyl)sulfonyl-3,3a,4,5,6,7-hexahydro-1H-isoindole-4,5-dicarboxylate
O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccccc1F)c1c[nH]c2ccccc12	3-[(1R)-1-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-2-nitroethyl]-1H-indole
CCN(C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1)c1cccc(C)c1	N-ethyl-2-(N-ethyl-3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CC(C)NCc1sc(N(C)C(C)C(C)C)nc1C(C)(C)C	4-tert-butyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CC(C)CNc1nc(Cc2cccc(Cl)c2F)ns1	3-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CO[Si](OC)(OC)C(C)c1ccc(CCl)cc1	1-[4-(chloromethyl)phenyl]ethyl-trimethoxysilane
CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	(15S,19S)-17-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
COC(=O)CCC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1	methyl 4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]-4-oxobutanoate
CC=CC1=C(C=CC)OC2(CC[N+](C)(C)C2)C1	7,7-dimethyl-2,3-bis(prop-1-enyl)-1-oxa-7-azoniaspiro[4.4]non-2-ene
Cc1ccncc1CNC1CC(C)C1	3-methyl-N-[(4-methylpyridin-3-yl)methyl]cyclobutan-1-amine
COC(=O)C1CCC(NC(=O)C2(C)CCCS2)CC1	methyl 4-[(2-methylthiolane-2-carbonyl)amino]cyclohexane-1-carboxylate
Cc1ccccc1C(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(I)cc1	N-[(Z)-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CCCCN1CCC(Nc2ncccc2S(C)(=O)=O)CC1	N-(1-butylpiperidin-4-yl)-3-methylsulfonylpyridin-2-amine
COCCN1CCN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CC1.COc1cc(Nc2nc(-c3cnc(C(C)(C)O)s3)cn3ccnc23)ccc1N1CCOCC1.COc1cc(Nc2nc(-c3cnc(C(C)(O)C(F)(F)F)s3)cn3ccnc23)ccc1N1CCOCC1.COc1cc(Nc2nc(-c3cnc(C4(O)COC4)s3)cn3ccnc23)ccc1N1CCOCC1	6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;3-[5-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]oxetan-3-ol;2-[5-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]propan-2-ol;1,1,1-trifluoro-2-[5-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]propan-2-ol
O=S(=O)(O)OC1(O[C@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen sulfate
C[C@@H](N)Cc1ccc(N)c(OCS)c1	[2-amino-5-[(2R)-2-aminopropyl]phenoxy]methanethiol
COCc1cccc(Oc2c(N)cccc2C(N)=O)c1	3-amino-2-[3-(methoxymethyl)phenoxy]benzamide
COCC(C)S(=O)(=O)N(C)C1CC(OC)C12CCC2	1-methoxy-N-(3-methoxyspiro[3.3]heptan-1-yl)-N-methylpropane-2-sulfonamide
CC.CCCCCC(=O)OCOc1n/c(=C\c2ccccc2)c(=O)[nH]/c1=C\c1nc[nH]c1C(C)(C)C	[(3Z,6Z)-6-benzylidene-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-5-oxopyrazin-2-yl]oxymethyl hexanoate;ethane
COc1ccc2[nH]cc(C(C)(C)CNS(=O)(=O)c3ccc(Cl)s3)c2c1	5-chloro-N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]thiophene-2-sulfonamide
CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4)c(=O)n3n2)cc1	(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CC(=O)Nc1cc(N(C)C(C)C)ccc1N=Nc1c(C#N)c(C(C)(C)C)nn1-c1ncccc1NS(=O)(=O)c1cc(C(C)(C)CC(C)(C)C)ccc1C.CC(=O)Nc1cc(N(CCC#N)CCCCS(=O)(=O)[O-])ccc1N=Nc1c(C#N)c(C(C)(C)C)nn1-c1ncccc1NC(=O)c1cccc(SOO[O-])c1.CCCCCCCCN(CCC#N)c1ccc(N=Nc2c(Br)c(C(C)C)nn2-c2ccc(Cl)nn2)c(NC(C)=O)c1.CCCCCCCCN(CCCC(=O)OCC)c1ccc(N=Nc2c(C#N)c(C(C)C)nn2-c2ncccn2)c(NCOC(C)(C)C)c1.CCN(CCCCS(=O)(=O)[O-])c1ccc(N=Nc2c(C#N)c(C(C)(C)C)nn2-c2cc(Cl)ncc2NC(=O)c2cc(SOO[O-])cc(S(=O)[O-])c2)c(NC(C)=O)c1.[Na+].[Na+].[Na+].[Na+].[Na+]	pentasodium;4-[3-acetamido-4-[[5-tert-butyl-2-[2-chloro-5-[(3-oxidoperoxysulfanyl-5-sulfinatobenzoyl)amino]pyridin-4-yl]-4-cyanopyrazol-3-yl]diazenyl]-N-ethylanilino]butane-1-sulfonate;4-[3-acetamido-4-[[5-tert-butyl-4-cyano-2-[3-[(3-oxidoperoxysulfanylbenzoyl)amino]pyridin-2-yl]pyrazol-3-yl]diazenyl]-N-(2-cyanoethyl)anilino]butane-1-sulfonate;N-[2-[[4-bromo-2-(6-chloropyridazin-3-yl)-5-propan-2-ylpyrazol-3-yl]diazenyl]-5-[2-cyanoethyl(octyl)amino]phenyl]acetamide;N-[2-[[5-tert-butyl-4-cyano-2-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylamino]pyridin-2-yl]pyrazol-3-yl]diazenyl]-5-[methyl(propan-2-yl)amino]phenyl]acetamide;ethyl 4-[4-[(4-cyano-5-propan-2-yl-2-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-[(2-methylpropan-2-yl)oxymethylamino]-N-octylanilino]butanoate
O=C(N(Cc1ccccc1)c1cccc2c(NCc3ccccc3)cccc12)N(Cc1ccccc1)c1cccc2c(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3cccc4c(NCc5ccccc5)cccc34)cccc12	1,3-dibenzyl-1-[5-(benzylamino)naphthalen-1-yl]-3-[5-[benzyl-[benzyl-[5-(benzylamino)naphthalen-1-yl]carbamoyl]amino]naphthalen-1-yl]urea
COc1cc2c(cc1OC)C(C(C#N)SCCCO)=NCC2	2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(3-hydroxypropylsulfanyl)acetonitrile
ICCN(Cc1ccccc1)Cc1ccccc1	N,N-dibenzyl-2-iodoethanamine
Cc1cc(S(=O)(=O)N(CC(N)=NO)C(C)C)sc1Br	2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CC=C1COCC1=CC(=C(C#[Os])[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cc3c(cc(-c4ccc(/C=C/C)cc4)c4nsnc43)c3nsnc23)cc1	[4-(4-ethylideneoxolan-3-ylidene)-3-[4-[5-[4-[(E)-prop-1-enyl]phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]phenyl]-2-triphenylphosphaniumylbut-2-enylidyne]osmium
CCOc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCC(=O)N(CC)CC	7-[3-bromo-4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
O=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2/C=C/CN2CCOCC2)ccc2c1OCc1occc1-2	7-[[4-fluoro-2-[(E)-3-morpholin-4-ylprop-1-enyl]phenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid
CCN1CC(C)(Oc2cccc3c2CNCC3)C1	8-(1-ethyl-3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
Cc1cc(C(=O)N2CCCN2C(=O)c2cccnc2SCCCC#N)no1	4-[3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile
CCNC(=NCC1(N2CCOCC2)CCSC1)NC1CN(C(C)C)CC1C	1-ethyl-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
C[C@H]1CN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1	(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CC(=O)N[C@@H](CC1=C2C=CC=CC2N=C1)C(N)=O	(2S)-2-acetamido-3-(7aH-indol-3-yl)propanamide
CCc1ccsc1CNC(CC)c1ccc(F)cc1	N-[(3-ethylthiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
O=C1Oc2cc(O)ccc2CC1(CO)c1nc2ccccc2s1	3-(1,3-benzothiazol-2-yl)-7-hydroxy-3-(hydroxymethyl)-4H-chromen-2-one
CCCCCCCCCCCCCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCC	N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonacos-4-en-2-yl]pentadecanamide
Cl.NC(CO)Cc1cccc(Cl)c1F	2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21	9H-fluoren-9-ylmethyl N-[(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
CCC(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-]	[2-(2-methyl-6-nitroanilino)-2-oxoethyl] propanoate
Cc1cccc(P)c1-c1c(C)cccc1I	[2-(2-iodo-6-methylphenyl)-3-methylphenyl]phosphane
CS(=O)(=O)N(CCC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1	3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)N(C)C)cc1	5-bromo-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CCCCCCCCCCCC(Br)c1ccc(CC)cc1	1-(1-bromododecyl)-4-ethylbenzene
O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(F)c(F)c1F	2,3,4-trifluoro-N-(1H-indazol-6-yl)benzenesulfonamide
Cc1nc2sccn2c1CNO	N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hydroxylamine
CC1(C)C=C2c3cc4c(cc3CC2C(C)(C)O1)C(=O)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H](C(C)(C)O)OC3CC[C@]2(C)[C@@]1(C)C(=O)N4	(1S,19S,22S,26R,31R)-22-hydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7,14,23-pentaene-2,17,25-trione
CCC(CC)(Cc1ccccc1)OC(=O)CC(=O)O	3-(3-benzylpentan-3-yloxy)-3-oxopropanoic acid
COC(CN1C(=O)NC(C)(C(F)(F)F)C1=O)OC	3-(2,2-dimethoxyethyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CCc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc(Cl)n1	(2S,4R)-1-(2-chloro-6-ethylpyridine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
Cn1nccc1-c1nnc(N2CCC(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)CC2)c2ccccc12	N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethylsulfonyl)benzamide
CCNc1c(F)cccc1C(=O)N1CCCC1	[2-(ethylamino)-3-fluorophenyl]-pyrrolidin-1-ylmethanone
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1	2-[methoxycarbonyl-[[3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CC(C)(C)c1noc(CCCC(=O)OCc2ccccn2)n1	pyridin-2-ylmethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CNC[C@H](NC(C)C)C(=O)O	(2S)-3-(methylamino)-2-(propan-2-ylamino)propanoic acid
Cc1nc(-c2ccc(OCCC(C)(C)C)cc2)nc(C)c1C(=O)NC(CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN	(8S,11S,14S)-14-[[4-amino-2-[[2-[4-(3,3-dimethylbutoxy)phenyl]-4,6-dimethylpyrimidine-5-carbonyl]amino]butanoyl]-methylamino]-3,18-bis(2-aminoethoxy)-N-(cyanomethyl)-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide
C[C@@H]1CCCCN1CCN	2-[(2R)-2-methylpiperidin-1-yl]ethanamine
O=C(O)COCCNc1nc(Cl)cs1	2-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethoxy]acetic acid
c1cc2c(c([C@H]3CCCNC3)c1)NCC2	7-[(3R)-piperidin-3-yl]-2,3-dihydro-1H-indole
O=C1CC[C@H](NC(=O)OCc2ccccc2)C1	benzyl N-[(1S)-3-oxocyclopentyl]carbamate
CCCCCCOc1ccc(C(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1OC	(2,6-dimethylmorpholin-4-yl)-[1-(4-hexoxy-3-methoxybenzoyl)piperidin-4-yl]methanone
COc1ccc(CCNC(=O)c2cc3occc3n2CCCc2ccccc2)cc1OC	N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CC(=O)N1CCN(C(=O)c2cc(C)nc(C3(C)CCN(C)CC3)n2)C(c2ccccc2)C1	1-[4-[2-(1,4-dimethylpiperidin-4-yl)-6-methylpyrimidine-4-carbonyl]-3-phenylpiperazin-1-yl]ethanone
C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CCC(F)(F)F)c1ccccc1	(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CCCCC(CC)COc1ccccc1OCC(CC)CCCC	1,2-bis(2-ethylhexoxy)benzene
CC[NH+](CC(=O)[O-])Cc1cccc(Br)c1	2-[(3-bromophenyl)methyl-ethylazaniumyl]acetate
Cc1ncc(CCCN=C=S)[nH]1	5-(3-isothiocyanatopropyl)-2-methyl-1H-imidazole
COCCOCCC(=O)CC1CCOCC1	4-(2-methoxyethoxy)-1-(oxan-4-yl)butan-2-one
COCCOc1ccc(C(=O)NO)cn1	N-hydroxy-6-(2-methoxyethoxy)pyridine-3-carboxamide
CSC1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]3C[C@@H](c4ccc(C#N)cc4)CCO[C@H]32)[C@H](C)Cl)C(O)C(O)[C@H]1O	(4R,5aS,8S,8aR)-N-[(1S,2S)-2-chloro-1-[(2R,5R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-(4-cyanophenyl)-3,4,5,5a,6,7,8,8a-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide
Cc1ccc2c(oc3c(C4c5ccccc5-c5ccccc54)c(F)ccc32)c1-c1cccc[n+]1C	2-[6-(9H-fluoren-9-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CC(NN1CCOCC1)c1c(Cl)ccc(F)c1Cl	N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]morpholin-4-amine
Cc1ccc(N=Nc2c(C)c(C#N)c(O)n(CCCOC(C)C)c2=O)c([N+](=O)[O-])c1	2-hydroxy-4-methyl-5-[(4-methyl-2-nitrophenyl)diazenyl]-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile
CN(C)c1cc(CNS(=O)(=O)c2cc(Br)ccc2Br)ccn1	2,5-dibromo-N-[[2-(dimethylamino)pyridin-4-yl]methyl]benzenesulfonamide
CCC(C)(C)NC(=O)C(C)Sc1nnc(NCc2ccccc2)s1	2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide
COc1ccc(-c2cc(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)no2)cc1OC	2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
O=C(C=CSCc1ccco1)NCc1cccc(Cl)c1	N-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfanyl)prop-2-enamide
CCc1ccccc1Oc1ncncc1C(=O)O	4-(2-ethylphenoxy)pyrimidine-5-carboxylic acid
CCCc1ccc(-c2nc(CCC)no2)cc1	3-propyl-5-(4-propylphenyl)-1,2,4-oxadiazole
O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@H]2O[C@@H]1c1cc3c(cc12)[C@@H]1O[C@@H]3[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1	phenyl-[(1S,5R,6S,7R,8R,12S,13R,14R)-7,13,14-tribenzoyl-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-trien-6-yl]methanone
Cc1cc(Oc2cc(C(C)N)ccn2)n(C)n1	1-[2-(2,5-dimethylpyrazol-3-yl)oxypyridin-4-yl]ethanamine
Cc1c(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1S(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OS(c1ccccc1)(c1cccc(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)c1C)c1cccc(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)c1C)(c1ccccc1)c1cccc(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)c1C	[3-[[3-[[2-(1-adamantyl)acetyl]oxymethoxy]-2-methylphenyl]-[4-[bis[3-[[2-(1-adamantyl)acetyl]oxymethoxy]-2-methylphenyl]-phenyl-λ4-sulfanyl]oxysulfonyl-1,1,2,2,3,3,4,4-octafluorobutyl]sulfonyloxy-phenyl-λ4-sulfanyl]-2-methylphenoxy]methyl 2-(1-adamantyl)acetate
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C	[(2R)-3-[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Cc1nn(Cc2ccc(C#N)cc2)c(C)c1-c1c(C(N)=O)nc2ccc(F)cc2c1C(N)=O	3-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-6-fluoroquinoline-2,4-dicarboxamide
c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)c3)n2)cc1	3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline

C=CCCC(=O)NC[C@H](C)OC(=O)[C@@H]1[C@H]2O[C@@]3(CC2Br)[C@H](C(=O)N(CC=C)CCCC)N(CCCCO)C(=O)[C@@H]13

[(2S)-1-(pent-4-enoylamino)propan-2-yl] (1R,2R,5S,6S,7R)-8-bromo-2-[butyl(prop-2-enyl)carbamoyl]-3-(4-hydroxybutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate

C[C@H]1[C@H](C)NO[C@@H]1NS(=O)(=O)c1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1

4-[[4-[[(3S,4S,5S)-3,4-dimethyl-1,2-oxazolidin-5-yl]sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid

COC(=O)c1cccc(Nc2ccc(C(=O)Nc3ccc(C#N)cc3)nn2)c1

methyl 3-[[6-[(4-cyanophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

NCC1CCN1c1nc(C(F)(F)F)ns1

[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-2-yl]methanamine

CC1(C)CN(c2cc(CO)ccn2)C[C@H]1c1ccccc1

[2-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]pyridin-4-yl]methanol

O=c1n2c(c(O)n1-c1ccc(Cl)c(Cl)c1)S(=O)(=O)CC2

6-(3,4-dichlorophenyl)-7-hydroxy-1,1-dioxo-2,3-dihydroimidazo[5,1-b][1,3]thiazol-5-one

c1ccc(-c2cccc(-c3ccc(-c4cccc(-c5ccccc5)c4)c4nc(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)c(-c5ccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)cc5)nc34)c2)cc1

9-[4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-5,8-bis(3-phenylphenyl)quinoxalin-2-yl]phenyl]-3,6-diphenylcarbazole

Cc1cc(N)nc(COc2ccccc2CCO)n1

2-[2-[(4-amino-6-methylpyrimidin-2-yl)methoxy]phenyl]ethanol

CCCCCCCC[P+](C)(C)CCCCCCCC.CCCS(=O)(=O)O

dimethyl(dioctyl)phosphanium;propane-1-sulfonic acid

CC(C)n1c(C(F)(F)F)nc2cc(CCN(CCNC=O)c3nc4ccccc4c(=O)[nH]3)ccc21

N-[2-[(4-oxo-3H-quinazolin-2-yl)-[2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]ethyl]amino]ethyl]formamide

COc1cc2c(cc1OC)C(CCN1CCN(c3ccccc3C)CC1)OCC(C)(C)C2

1-[2-(7,8-dimethoxy-4,4-dimethyl-3,5-dihydro-1H-2-benzoxepin-1-yl)ethyl]-4-(2-methylphenyl)piperazine

NC(=S(=O)=O)[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2=O

(8R,9S,13R,14S)-13-[amino(sulfonyl)methyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

CCOc1cccc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CC4)n3)cc2)c1

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(3-ethoxyphenyl)phenyl]-2-methylpropanamide

CC.CC(C)C(=O)N1CCOCC1

ethane;2-methyl-1-morpholin-4-ylpropan-1-one

COc1ccccc1CCn1cnc2sc3c(c2c1=O)CCN(S(=O)(=O)c1ccc(C)cc1)C3

4-[2-(2-methoxyphenyl)ethyl]-11-(4-methylphenyl)sulfonyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

COC(=O)[C@H]1C[C@H](OC(=O)NCc2ccco2)[C@@]2(O)CN(S(=O)(=O)c3ccc(C)cc3)CC2[C@H]1C(=O)OC

dimethyl (4R,5S,7S,7aS)-7-(furan-2-ylmethylcarbamoyloxy)-7a-hydroxy-2-(4-methylphenyl)sulfonyl-3,3a,4,5,6,7-hexahydro-1H-isoindole-4,5-dicarboxylate

O=[N+]([O-])C[C@@H](c1cc(Br)ccc1OCc1ccccc1F)c1c[nH]c2ccccc12

3-[(1R)-1-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-2-nitroethyl]-1H-indole

CCN(C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1)c1cccc(C)c1

N-ethyl-2-(N-ethyl-3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

CC(C)NCc1sc(N(C)C(C)C(C)C)nc1C(C)(C)C

4-tert-butyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

CC(C)CNc1nc(Cc2cccc(Cl)c2F)ns1

3-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

CO[Si](OC)(OC)C(C)c1ccc(CCl)cc1

1-[4-(chloromethyl)phenyl]ethyl-trimethoxysilane

CC(C)C[C@@H](C(=O)N1CCOCC1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O

(15S,19S)-17-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

COC(=O)CCC(=O)NCC(=O)c1ccc([N+](=O)[O-])cc1

methyl 4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]-4-oxobutanoate

CC=CC1=C(C=CC)OC2(CC[N+](C)(C)C2)C1

7,7-dimethyl-2,3-bis(prop-1-enyl)-1-oxa-7-azoniaspiro[4.4]non-2-ene

Cc1ccncc1CNC1CC(C)C1

3-methyl-N-[(4-methylpyridin-3-yl)methyl]cyclobutan-1-amine

COC(=O)C1CCC(NC(=O)C2(C)CCCS2)CC1

methyl 4-[(2-methylthiolane-2-carbonyl)amino]cyclohexane-1-carboxylate

Cc1ccccc1C(=O)N/N=C\c1cc(Cl)ccc1OCc1ccc(I)cc1

N-[(Z)-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide

CCCCN1CCC(Nc2ncccc2S(C)(=O)=O)CC1

N-(1-butylpiperidin-4-yl)-3-methylsulfonylpyridin-2-amine

COCCN1CCN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CC1.COc1cc(Nc2nc(-c3cnc(C(C)(C)O)s3)cn3ccnc23)ccc1N1CCOCC1.COc1cc(Nc2nc(-c3cnc(C(C)(O)C(F)(F)F)s3)cn3ccnc23)ccc1N1CCOCC1.COc1cc(Nc2nc(-c3cnc(C4(O)COC4)s3)cn3ccnc23)ccc1N1CCOCC1

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine;3-[5-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]oxetan-3-ol;2-[5-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]propan-2-ol;1,1,1-trifluoro-2-[5-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]propan-2-ol

O=S(=O)(O)OC1(O[C@H]2[C@H](O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

[(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen sulfate

C[C@@H](N)Cc1ccc(N)c(OCS)c1

[2-amino-5-[(2R)-2-aminopropyl]phenoxy]methanethiol

COCc1cccc(Oc2c(N)cccc2C(N)=O)c1

3-amino-2-[3-(methoxymethyl)phenoxy]benzamide

COCC(C)S(=O)(=O)N(C)C1CC(OC)C12CCC2

1-methoxy-N-(3-methoxyspiro[3.3]heptan-1-yl)-N-methylpropane-2-sulfonamide

CC.CCCCCC(=O)OCOc1n/c(=C\c2ccccc2)c(=O)[nH]/c1=C\c1nc[nH]c1C(C)(C)C

[(3Z,6Z)-6-benzylidene-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-5-oxopyrazin-2-yl]oxymethyl hexanoate;ethane

COc1ccc2[nH]cc(C(C)(C)CNS(=O)(=O)c3ccc(Cl)s3)c2c1

5-chloro-N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]thiophene-2-sulfonamide

CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4)c(=O)n3n2)cc1

(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

CC(=O)Nc1cc(N(C)C(C)C)ccc1N=Nc1c(C#N)c(C(C)(C)C)nn1-c1ncccc1NS(=O)(=O)c1cc(C(C)(C)CC(C)(C)C)ccc1C.CC(=O)Nc1cc(N(CCC#N)CCCCS(=O)(=O)[O-])ccc1N=Nc1c(C#N)c(C(C)(C)C)nn1-c1ncccc1NC(=O)c1cccc(SOO[O-])c1.CCCCCCCCN(CCC#N)c1ccc(N=Nc2c(Br)c(C(C)C)nn2-c2ccc(Cl)nn2)c(NC(C)=O)c1.CCCCCCCCN(CCCC(=O)OCC)c1ccc(N=Nc2c(C#N)c(C(C)C)nn2-c2ncccn2)c(NCOC(C)(C)C)c1.CCN(CCCCS(=O)(=O)[O-])c1ccc(N=Nc2c(C#N)c(C(C)(C)C)nn2-c2cc(Cl)ncc2NC(=O)c2cc(SOO[O-])cc(S(=O)[O-])c2)c(NC(C)=O)c1.[Na+].[Na+].[Na+].[Na+].[Na+]

pentasodium;4-[3-acetamido-4-[[5-tert-butyl-2-[2-chloro-5-[(3-oxidoperoxysulfanyl-5-sulfinatobenzoyl)amino]pyridin-4-yl]-4-cyanopyrazol-3-yl]diazenyl]-N-ethylanilino]butane-1-sulfonate;4-[3-acetamido-4-[[5-tert-butyl-4-cyano-2-[3-[(3-oxidoperoxysulfanylbenzoyl)amino]pyridin-2-yl]pyrazol-3-yl]diazenyl]-N-(2-cyanoethyl)anilino]butane-1-sulfonate;N-[2-[[4-bromo-2-(6-chloropyridazin-3-yl)-5-propan-2-ylpyrazol-3-yl]diazenyl]-5-[2-cyanoethyl(octyl)amino]phenyl]acetamide;N-[2-[[5-tert-butyl-4-cyano-2-[3-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylamino]pyridin-2-yl]pyrazol-3-yl]diazenyl]-5-[methyl(propan-2-yl)amino]phenyl]acetamide;ethyl 4-[4-[(4-cyano-5-propan-2-yl-2-pyrimidin-2-ylpyrazol-3-yl)diazenyl]-3-[(2-methylpropan-2-yl)oxymethylamino]-N-octylanilino]butanoate

O=C(N(Cc1ccccc1)c1cccc2c(NCc3ccccc3)cccc12)N(Cc1ccccc1)c1cccc2c(N(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3cccc4c(NCc5ccccc5)cccc34)cccc12

1,3-dibenzyl-1-[5-(benzylamino)naphthalen-1-yl]-3-[5-[benzyl-[benzyl-[5-(benzylamino)naphthalen-1-yl]carbamoyl]amino]naphthalen-1-yl]urea

COc1cc2c(cc1OC)C(C(C#N)SCCCO)=NCC2

2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(3-hydroxypropylsulfanyl)acetonitrile

ICCN(Cc1ccccc1)Cc1ccccc1

N,N-dibenzyl-2-iodoethanamine

Cc1cc(S(=O)(=O)N(CC(N)=NO)C(C)C)sc1Br

2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]-N'-hydroxyethanimidamide

CC=C1COCC1=CC(=C(C#[Os])[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cc3c(cc(-c4ccc(/C=C/C)cc4)c4nsnc43)c3nsnc23)cc1

[4-(4-ethylideneoxolan-3-ylidene)-3-[4-[5-[4-[(E)-prop-1-enyl]phenyl]-[2,1,3]benzothiadiazolo[4,5-g][2,1,3]benzothiadiazol-10-yl]phenyl]-2-triphenylphosphaniumylbut-2-enylidyne]osmium

CCOc1cc(C2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OCC(=O)N(CC)CC

7-[3-bromo-4-[2-(diethylamino)-2-oxoethoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

O=C(O)c1c(NS(=O)(=O)c2ccc(F)cc2/C=C/CN2CCOCC2)ccc2c1OCc1occc1-2

7-[[4-fluoro-2-[(E)-3-morpholin-4-ylprop-1-enyl]phenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid

CCN1CC(C)(Oc2cccc3c2CNCC3)C1

8-(1-ethyl-3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

Cc1cc(C(=O)N2CCCN2C(=O)c2cccnc2SCCCC#N)no1

4-[3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]pyridin-2-yl]sulfanylbutanenitrile

CCNC(=NCC1(N2CCOCC2)CCSC1)NC1CN(C(C)C)CC1C

1-ethyl-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine

C[C@H]1CN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H](C)O1

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

CC(=O)N[C@@H](CC1=C2C=CC=CC2N=C1)C(N)=O

(2S)-2-acetamido-3-(7aH-indol-3-yl)propanamide

CCc1ccsc1CNC(CC)c1ccc(F)cc1

N-[(3-ethylthiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine

O=C1Oc2cc(O)ccc2CC1(CO)c1nc2ccccc2s1

3-(1,3-benzothiazol-2-yl)-7-hydroxy-3-(hydroxymethyl)-4H-chromen-2-one

CCCCCCCCCCCCCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCC

N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynonacos-4-en-2-yl]pentadecanamide

Cl.NC(CO)Cc1cccc(Cl)c1F

2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21

9H-fluoren-9-ylmethyl N-[(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate

CCC(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-]

[2-(2-methyl-6-nitroanilino)-2-oxoethyl] propanoate

Cc1cccc(P)c1-c1c(C)cccc1I

[2-(2-iodo-6-methylphenyl)-3-methylphenyl]phosphane

CS(=O)(=O)N(CCC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1

3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)propanamide

CCCCCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(C(=O)N(C)C)cc1

5-bromo-N-[[4-(dimethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide

CCCCCCCCCCCC(Br)c1ccc(CC)cc1

1-(1-bromododecyl)-4-ethylbenzene

O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(F)c(F)c1F

2,3,4-trifluoro-N-(1H-indazol-6-yl)benzenesulfonamide

Cc1nc2sccn2c1CNO

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]hydroxylamine

CC1(C)C=C2c3cc4c(cc3CC2C(C)(C)O1)C(=O)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H](C(C)(C)O)OC3CC[C@]2(C)[C@@]1(C)C(=O)N4

(1S,19S,22S,26R,31R)-22-hydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.04,16.06,14.07,12.022,31.023,28]hentriaconta-4(16),5,7,14,23-pentaene-2,17,25-trione

CCC(CC)(Cc1ccccc1)OC(=O)CC(=O)O

3-(3-benzylpentan-3-yloxy)-3-oxopropanoic acid

COC(CN1C(=O)NC(C)(C(F)(F)F)C1=O)OC

3-(2,2-dimethoxyethyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

CCc1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc(Cl)n1

(2S,4R)-1-(2-chloro-6-ethylpyridine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Cn1nccc1-c1nnc(N2CCC(NC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)CC2)c2ccccc12

N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethylsulfonyl)benzamide

CCNc1c(F)cccc1C(=O)N1CCCC1

[2-(ethylamino)-3-fluorophenyl]-pyrrolidin-1-ylmethanone

COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1

2-[methoxycarbonyl-[[3-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid

CC(C)(C)c1noc(CCCC(=O)OCc2ccccn2)n1

pyridin-2-ylmethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

CNC[C@H](NC(C)C)C(=O)O

(2S)-3-(methylamino)-2-(propan-2-ylamino)propanoic acid

Cc1nc(-c2ccc(OCCC(C)(C)C)cc2)nc(C)c1C(=O)NC(CCN)C(=O)N(C)[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC#N)Cc2ccc(OCCN)c(c2)-c2cc1ccc2OCCN

(8S,11S,14S)-14-[[4-amino-2-[[2-[4-(3,3-dimethylbutoxy)phenyl]-4,6-dimethylpyrimidine-5-carbonyl]amino]butanoyl]-methylamino]-3,18-bis(2-aminoethoxy)-N-(cyanomethyl)-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide

C[C@@H]1CCCCN1CCN

2-[(2R)-2-methylpiperidin-1-yl]ethanamine

O=C(O)COCCNc1nc(Cl)cs1

2-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethoxy]acetic acid

c1cc2c(c([C@H]3CCCNC3)c1)NCC2

7-[(3R)-piperidin-3-yl]-2,3-dihydro-1H-indole

O=C1CC[C@H](NC(=O)OCc2ccccc2)C1

benzyl N-[(1S)-3-oxocyclopentyl]carbamate

CCCCCCOc1ccc(C(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1OC

(2,6-dimethylmorpholin-4-yl)-[1-(4-hexoxy-3-methoxybenzoyl)piperidin-4-yl]methanone

COc1ccc(CCNC(=O)c2cc3occc3n2CCCc2ccccc2)cc1OC

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)furo[3,2-b]pyrrole-5-carboxamide

CC(=O)N1CCN(C(=O)c2cc(C)nc(C3(C)CCN(C)CC3)n2)C(c2ccccc2)C1

1-[4-[2-(1,4-dimethylpiperidin-4-yl)-6-methylpyrimidine-4-carbonyl]-3-phenylpiperazin-1-yl]ethanone

C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CCC(F)(F)F)c1ccccc1

(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

CCCCC(CC)COc1ccccc1OCC(CC)CCCC

1,2-bis(2-ethylhexoxy)benzene

CC[NH+](CC(=O)[O-])Cc1cccc(Br)c1

2-[(3-bromophenyl)methyl-ethylazaniumyl]acetate

Cc1ncc(CCCN=C=S)[nH]1

5-(3-isothiocyanatopropyl)-2-methyl-1H-imidazole

COCCOCCC(=O)CC1CCOCC1

4-(2-methoxyethoxy)-1-(oxan-4-yl)butan-2-one

COCCOc1ccc(C(=O)NO)cn1

N-hydroxy-6-(2-methoxyethoxy)pyridine-3-carboxamide

CSC1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]3C[C@@H](c4ccc(C#N)cc4)CCO[C@H]32)[C@H](C)Cl)C(O)C(O)[C@H]1O

(4R,5aS,8S,8aR)-N-[(1S,2S)-2-chloro-1-[(2R,5R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-(4-cyanophenyl)-3,4,5,5a,6,7,8,8a-octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide

Cc1ccc2c(oc3c(C4c5ccccc5-c5ccccc54)c(F)ccc32)c1-c1cccc[n+]1C

2-[6-(9H-fluoren-9-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium

CC(NN1CCOCC1)c1c(Cl)ccc(F)c1Cl

N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]morpholin-4-amine

Cc1ccc(N=Nc2c(C)c(C#N)c(O)n(CCCOC(C)C)c2=O)c([N+](=O)[O-])c1

2-hydroxy-4-methyl-5-[(4-methyl-2-nitrophenyl)diazenyl]-6-oxo-1-(3-propan-2-yloxypropyl)pyridine-3-carbonitrile

CN(C)c1cc(CNS(=O)(=O)c2cc(Br)ccc2Br)ccn1

2,5-dibromo-N-[[2-(dimethylamino)pyridin-4-yl]methyl]benzenesulfonamide

CCC(C)(C)NC(=O)C(C)Sc1nnc(NCc2ccccc2)s1

2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)propanamide

COc1ccc(-c2cc(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)no2)cc1OC

2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide

O=C(C=CSCc1ccco1)NCc1cccc(Cl)c1

N-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfanyl)prop-2-enamide

CCc1ccccc1Oc1ncncc1C(=O)O

4-(2-ethylphenoxy)pyrimidine-5-carboxylic acid

CCCc1ccc(-c2nc(CCC)no2)cc1

3-propyl-5-(4-propylphenyl)-1,2,4-oxadiazole

O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@H]2O[C@@H]1c1cc3c(cc12)[C@@H]1O[C@@H]3[C@H](C(=O)c2ccccc2)[C@@H]1C(=O)c1ccccc1

phenyl-[(1S,5R,6S,7R,8R,12S,13R,14R)-7,13,14-tribenzoyl-15,16-dioxapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),3,9-trien-6-yl]methanone

Cc1cc(Oc2cc(C(C)N)ccn2)n(C)n1

1-[2-(2,5-dimethylpyrazol-3-yl)oxypyridin-4-yl]ethanamine

Cc1c(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1S(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OS(c1ccccc1)(c1cccc(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)c1C)c1cccc(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)c1C)(c1ccccc1)c1cccc(OCOC(=O)CC23CC4CC(CC(C4)C2)C3)c1C

[3-[[3-[[2-(1-adamantyl)acetyl]oxymethoxy]-2-methylphenyl]-[4-[bis[3-[[2-(1-adamantyl)acetyl]oxymethoxy]-2-methylphenyl]-phenyl-λ4-sulfanyl]oxysulfonyl-1,1,2,2,3,3,4,4-octafluorobutyl]sulfonyloxy-phenyl-λ4-sulfanyl]-2-methylphenoxy]methyl 2-(1-adamantyl)acetate

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C

[(2R)-3-[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Cc1nn(Cc2ccc(C#N)cc2)c(C)c1-c1c(C(N)=O)nc2ccc(F)cc2c1C(N)=O

3-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-6-fluoroquinoline-2,4-dicarboxamide

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)nc(-c4ccc6c7ccccc7c7ccccc7c6c4)c4c6ccccc6sc54)c3)n2)cc1

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-triphenylen-2-yl-[1]benzothiolo[3,2-c]quinoline