SMILES
stringlengths
2
1.07k
IUPAC
stringlengths
6
1.79k
COC(=O)C1=C(C(=O)OC)N(c2cc(F)cc(C(F)(F)F)c2)COC1
dimethyl 3-[3-fluoro-5-(trifluoromethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CC1=C(C=CN(C)C)C(C)(C)CCC1
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
Cl.NCCCC(=O)NCCc1cccc(C(N)=O)c1
3-[2-(4-aminobutanoylamino)ethyl]benzamide;hydrochloride
Cc1ccc(N2CCCCCC2C)c(C(N)=S)c1
5-methyl-2-(2-methylazepan-1-yl)benzenecarbothioamide
COC[C@@](C)(O)C(O)C(C)C(=O)[C@H](C)C[C@](C)(CCCC(C)C=O)OC
(6S,8R,12R)-11,12-dihydroxy-6,13-dimethoxy-2,6,8,10,12-pentamethyl-9-oxotridecanal
CC(C)n1cc(CC(C)(C)C(=O)O)c2ccc(F)cc21
3-(6-fluoro-1-propan-2-ylindol-3-yl)-2,2-dimethylpropanoic acid
CC(C)NC(=O)NC1CC(=O)N(c2ccccc2)C1
1-(5-oxo-1-phenylpyrrolidin-3-yl)-3-propan-2-ylurea
CC1(C)c2ccccc2CC1(N)N
3,3-dimethyl-1H-indene-2,2-diamine
CNCCC=Cc1ccc(Cl)c(Cl)c1
4-(3,4-dichlorophenyl)-N-methylbut-3-en-1-amine
O=C1CN(c2cc(Cl)cc(Cl)c2)C(=S)N1
1-(3,5-dichlorophenyl)-2-sulfanylideneimidazolidin-4-one
CN(CCCOc1ccccc1)CCC(O)(O[P+](=O)O)O[P+](=O)O
hydroxy-[1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]oxy-3-[methyl(3-phenoxypropyl)amino]propoxy]-oxophosphanium
CCOP(C)c1ccc(C(NC(=O)c2cnc(-n3cc(F)cn3)[nH]c2=O)c2ccc(F)cc2)cc1
N-[[4-[ethoxy(methyl)phosphanyl]phenyl]-(4-fluorophenyl)methyl]-2-(4-fluoropyrazol-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CC=C(CCO)C(N)(Cl)CCO
3-amino-3-chloro-4-ethylidenehexane-1,6-diol
Cc1ccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1C
2-[2,4-dibromo-6-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
Cc1nc(N2CCOCC2)nc2nc(/C(N)=C(/C=N)NC(=O)c3c(F)cccc3F)[nH]c12
N-[(E)-1-amino-3-imino-1-(6-methyl-2-morpholin-4-yl-7H-purin-8-yl)prop-1-en-2-yl]-2,6-difluorobenzamide
Cl.O=c1cc(OCc2ccccc2)ccn1-c1ccc(N2CCC3(CC2)CNC3)cc1
1-[4-(2,7-diazaspiro[3.5]nonan-7-yl)phenyl]-4-phenylmethoxypyridin-2-one;hydrochloride
CC(C)(C)OC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)N1CCC[C@H](Cn2ccnc2)C1.CC(C)(C)OC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)O
(2R)-4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;tert-butyl (2R)-4-(6-bromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-2-[(3R)-3-(imidazol-1-ylmethyl)piperidine-1-carbonyl]piperazine-1-carboxylate
CCS(=O)c1cccnc1-c1nc2cccnc2n1C
2-(3-ethylsulfinylpyridin-2-yl)-3-methylimidazo[4,5-b]pyridine
CCCCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1
6-[(1-butylpiperidin-4-yl)methoxy]-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CCOC(=O)C(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ethyl 2-amino-2-[3,5-bis(trifluoromethyl)phenyl]acetate
CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C)cc2)CC1
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CCC1OCCC1C(N)c1cc(C)ccc1C
(2,5-dimethylphenyl)-(2-ethyloxolan-3-yl)methanamine
O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nc(-c3ccco3)no2)C1
(1S,9R)-11-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CCc1ccc(Oc2ccc(OCCCN3C(=O)C4=C(CCC=C4)C3=O)cc2F)c(OC)c1
2-[3-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenoxy]propyl]-4,5-dihydroisoindole-1,3-dione
CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
[(8S,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] butanoate
CC(=N)N(C)c1ccccc1C
N-methyl-N-(2-methylphenyl)ethanimidamide
Cc1ccc(-c2ccccc2)c(CC(C)(C)c2cc(C)ccc2-c2ccccc2)c1
4-methyl-2-[2-methyl-1-(5-methyl-2-phenylphenyl)propan-2-yl]-1-phenylbenzene
COC1CC2CCC(=O)C(C(O)CCC3CCC4C(C[NH2+]C5CC(=O)CCC54)C3)C#CC(CCC(O)CCC3CC[NH2+]C(N)C3)C2CC1O
8-[3-[11-[5-(2-aminopiperidin-1-ium-4-yl)-3-hydroxypentyl]-2-hydroxy-3-methoxy-7-oxo-9,10-didehydro-1,2,3,4,4a,5,6,8,11,11a-decahydrobenzo[9]annulen-8-yl]-3-hydroxypropyl]-2,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-phenanthridin-5-ium-3-one
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1C
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]furan-2-carboxamide
CCC(C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O
2-[(4-fluorophenyl)methyl-[4-(4-methyl-N-methylsulfonylanilino)butanoyl]amino]-N-(2-methylpropyl)butanamide
CCOc1ccc2c(N(C)c3ccccc3)c(C#N)cnc2c1OCC
7,8-diethoxy-4-(N-methylanilino)quinoline-3-carbonitrile
Cc1nc(CCN)c2c(n1)CCSC2
2-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine
Cc1nc(C(C)N)cs1.OCC1c2ccccc2-c2ccccc21
9H-fluoren-9-ylmethanol;1-(2-methyl-1,3-thiazol-4-yl)ethanamine
O=S(=O)(NC1CC2CCC(C1)N2)c1ccc(Oc2ccccc2Cl)cc1
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-chlorophenoxy)benzenesulfonamide
O=C(Cn1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1=O)NCc1ccco1
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxopyridin-1-yl]-N-(furan-2-ylmethyl)acetamide
CC(C)C(=Cc1cc(-c2cccs2)cs1)CCl
2-[2-(chloromethyl)-3-methylbut-1-enyl]-4-thiophen-2-ylthiophene
NC1CCCC(CNC(=O)C2Cc3ccccc3O2)C1
N-[(3-aminocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
Cc1c(N)nc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)/C(=N\OC(C)(C)C(=O)O)c4csc(N)n4)C3SC2)n2nc(C)[n+](C)c12.O=C([O-])C(F)(F)F
7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(7-amino-1,2,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-1-ium-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetate
c1ccc(-n2c3ccccc3c3c(Nc4ccc5c(c4)sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)ccc45)cccc32)cc1
N-[7-(9-naphthalen-2-ylcarbazol-3-yl)dibenzothiophen-3-yl]-9-phenylcarbazol-4-amine
[C-]#[N+]c1c(-c2ccccc2)c(CC(C)C)cc2c1oc1c(-c3cccc[n+]3C)c(C)ccc12
2-[6-isocyano-3-methyl-8-(2-methylpropyl)-7-phenyldibenzofuran-4-yl]-1-methylpyridin-1-ium
O=S(=O)(NC(CBr)Cc1ccccc1)C1CCOCC1
N-(1-bromo-3-phenylpropan-2-yl)oxane-4-sulfonamide
CC(C)N(CCCN)CCCOc1ccccc1
N'-(3-phenoxypropyl)-N'-propan-2-ylpropane-1,3-diamine
CCN(C)CCOC(=O)C1(Cc2ccccc2)c2ccccc2Oc2ccccc21
2-[ethyl(methyl)amino]ethyl 9-benzylxanthene-9-carboxylate
Nc1c(-c2ccco2)ncnc1N(N)Cc1cc2cc[nH]c2cc1Cl
4-[amino-[(6-chloro-1H-indol-5-yl)methyl]amino]-6-(furan-2-yl)pyrimidin-5-amine
CCC(C)(C)n1cc(O)cn1
1-(2-methylbutan-2-yl)pyrazol-4-ol
CCCCn1c(Cn2nnc3ccccc32)n[nH]c1=S
3-(benzotriazol-1-ylmethyl)-4-butyl-1H-1,2,4-triazole-5-thione
Cc1cc(-c2ccccc2)c2ccccc2[n+]1C.[O-][Cl+3]([O-])([O-])[O-]
1,2-dimethyl-4-phenylquinolin-1-ium;perchlorate
Nc1cn[nH]c1C(=O)NCCC(=O)N1CCOCC1
4-amino-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-5-carboxamide
Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1
N-(4-chlorophenyl)-2-(4-methylanilino)acetamide
COc1ccc(C[C@H]2NC(=O)C=CC[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)O[C@@H](O)[C@H](CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl
(2R,3S,10R,16S)-16-[(2R,3R,4S)-4-chloro-3-hydroxy-4-phenylbutan-2-yl]-10-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-5,9,12-trione
Nc1ccc(C(=O)OC2CCCC2)cc1N
cyclopentyl 3,4-diaminobenzoate
CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)OCC(=O)Nc4ccc(C)cc4)cc3)C2=O)ccc1Cl
butyl 2-chloro-5-[[2-[(5Z)-5-[[4-[2-(4-methylanilino)-2-oxoethoxy]carbonylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNC[C@@H]1Cn1ccc2ccccc21
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(indol-1-ylmethyl)piperazin-1-yl]methanone
[2H]c1cc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)ccc1C(=O)NC
4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-deuterio-N-methylbenzamide
CC(CC(=O)NCCC(=O)N(C)C)C1CCNCC1
N-[3-(dimethylamino)-3-oxopropyl]-3-piperidin-4-ylbutanamide
Cc1cc(Nc2ncnc3ccc(N4CCNCC4)cc23)ccc1O[C@@H]1CCCOC1
N-[3-methyl-4-[(3R)-oxan-3-yl]oxyphenyl]-6-piperazin-1-ylquinazolin-4-amine
[C-]#[N+]c1ccc2c(c1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3cc(C(C)(C)C)ccc3n4-c3ccc(C#N)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1B2c1ccc(C#N)cc1N3c1ccccc1.[C-]#[N+]c1ccc2c(c1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccc(C(C)(C)C)cc3n4-c3ccc(C#N)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1B2c1ccc(C#N)cc1N3c1ccccc1
11-[6-tert-butyl-9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[7-tert-butyl-9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile
O=C1c2cc(COC3=CC(F)=CCC3)nn2CCN1C[C@H]1CC1(F)F
5-[[(1R)-2,2-difluorocyclopropyl]methyl]-2-[(3-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
Cc1ccc(Nc2ncc3c(n2)CCCC3)cc1C#N
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-2-ylamino)benzonitrile
C=CC[S+](C)CCO.[Br-]
2-hydroxyethyl-methyl-prop-2-enylsulfanium;bromide
CCCNc1ncccc1S(=O)(=O)N(CCC)C(C)C
N-propan-2-yl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
Br.CC(=O)OCCn1cc(C(F)(F)F)ccc1=N
2-[2-imino-5-(trifluoromethyl)pyridin-1-yl]ethyl acetate;hydrobromide
CC(NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cn[nH]c1
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
Oc1cccc2oc(-c3ccccc3)cc12
2-phenyl-1-benzofuran-4-ol
CCc1o[nH]c(=O)c1F
5-ethyl-4-fluoro-1,2-oxazol-3-one
[Fe].[Fe].c1cc[c-](N2CCNCC2[c-]2[cH-][cH-][cH-][cH-]2)c1.c1cc[cH-]c1.c1cc[cH-]c1
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-2-cyclopentylpiperazine;iron
CNC(=O)Cn1c(-c2ccc(N)cc2)csc1=O
2-[4-(4-aminophenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylacetamide
[C-]#[N+]c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ccc(-c3ccc(C(F)(F)F)cc3C)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CCOc1ccc2c(n1)N(c1ccc(OC)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(OC5CC5)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1
7-cyclopropyloxy-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-1-(6-methoxypyridin-3-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
Nc1ccc2[nH]cc(S(=O)(=O)N3CCC[C@H](O)C3)c2c1
(3S)-1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-3-ol
Cc1ccc(C(=O)OC(C)C(=O)NC(C)c2ccc(F)cc2)cn1
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
Cc1cc(CC(F)(F)F)nn1CC(=O)N1CCCC(c2nc(C(=O)O)cs2)C1
2-[1-[2-[5-methyl-3-(2,2,2-trifluoroethyl)pyrazol-1-yl]acetyl]piperidin-3-yl]-1,3-thiazole-4-carboxylic acid
CN(Cc1cccs1)C(=O)C1CNC1.Cl
N-methyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide;hydrochloride
CC(Oc1ccc2c(c1)OCO2)C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
2-(1,3-benzodioxol-5-yloxy)-1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]propan-1-one
O=C(O)c1cc(=O)c(OP)cn1O
1-hydroxy-4-oxo-5-phosphanyloxypyridine-2-carboxylic acid
Nc1cccc(CN2CCS(=O)(=O)CC2)c1C(=O)O
2-amino-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid
COCCCn1ncc(C(=O)O)c1-n1cccn1
1-(3-methoxypropyl)-5-pyrazol-1-ylpyrazole-4-carboxylic acid
C/C=C(\C)OC1(C)CCN(C(C)=O)CC1
1-[4-[(E)-but-2-en-2-yl]oxy-4-methylpiperidin-1-yl]ethanone
Cc1ccc(/C=C/S(=O)(=O)NC(Cn2nccn2)C(C)C)cc1
(E)-2-(4-methylphenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]ethenesulfonamide
C#CC1CC(=O)N(c2ccc3c(c2)COC3)C1
1-(1,3-dihydro-2-benzofuran-5-yl)-4-ethynylpyrrolidin-2-one
COc1ccc(Br)cc1/C=C1\Oc2c(ccc3c2CN(CCc2ccc(Cl)cc2Cl)CO3)C1=O
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-8-[2-(2,4-dichlorophenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
Cc1cccnc1NC(=O)Cn1ccc2cc(Cl)ccc21
2-(5-chloroindol-1-yl)-N-(3-methylpyridin-2-yl)acetamide
Cc1cc(C)c(S(N)(=O)=O)c(C)c1C1=C2C=CC(=N2)C(c2c(C)cc(C)c(S(N)(=O)=O)c2C)=c2ccc([nH]2)=C(c2c(C)cc(C)c(S(N)(=O)=O)c2C)c2ccc([n-]2)C(c2c(C)cc(C)c(S(N)(=O)=O)c2C)c2ccc1[n-]2.[Fe+2]
iron(2+);2,4,6-trimethyl-3-[10,15,20-tris(2,4,6-trimethyl-3-sulfamoylphenyl)-5,23-dihydroporphyrin-21,22-diid-5-yl]benzenesulfonamide
CC1(C)COC2(C=C3c4ccccc4CC[C@H]3[C@]2(C)C=O)OC1
(3'R,3'aR)-3',5,5-trimethylspiro[1,3-dioxane-2,2'-4,5-dihydro-3aH-cyclopenta[a]naphthalene]-3'-carbaldehyde
O=C1CC2(O)C(=O)OOP(=O)(OO1)OOC(=O)C2[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
6-hydroxy-1-oxo-5-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3,9,10,11,12-hexaoxa-1λ5-phosphabicyclo[4.4.3]tridecane-4,8,13-trione
COCC(C)Nc1cccnc1-n1cncn1
N-(1-methoxypropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
C[S+](O)c1cccc(-c2cnn3cc(-c4ccc(C5CCNC5)cc4)cnc23)c1
hydroxy-methyl-[3-[6-(4-pyrrolidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]sulfanium
O=P(O)(O)CN1CCN2CCN(CC1)CCN(P(=O)(O)CO)CCN(P(=O)(O)CO)CC2
[4,7-bis[hydroxy(hydroxymethyl)phosphoryl]-1,4,7,10,13-pentazabicyclo[8.5.2]heptadecan-13-yl]methylphosphonic acid
CN1CC(C(=O)O)Oc2ccc(Cl)cc21
6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccccc5S)c4)cc3)ccc2-c2c1ccc1c2sc2ccccc21
2-[3-[4-(N-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-4-phenylanilino)phenyl]phenyl]benzenethiol
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCC/C=C\CCCCCCCCCC
[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-triacont-19-enoate
CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(-c3ccc4c(c3)C(C)(C)C(/C=C/C=C/C=C/C=C3/N(C)c5ccc(-c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5C3(C)C)=[N+]4C)cc2)C(C)(C)CC1(CCC)CCC
(2E)-1,3,3-trimethyl-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-2-[(2E,4E,6E)-7-[1,3,3-trimethyl-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]indol-1-ium-2-yl]hepta-2,4,6-trienylidene]indole
c1ccc(-c2nnc(-c3ccc(-c4cc5ccc6cc(-c7ccc(-c8nnc(-c9ccccc9)s8)cc7)cc7ccc(c4)c5c67)cc3)s2)cc1
2-phenyl-5-[4-[7-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]pyren-2-yl]phenyl]-1,3,4-thiadiazole
CSCCc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
COc1ccc2c(c1)CN(CCCC(=O)O)C2
4-(5-methoxy-1,3-dihydroisoindol-2-yl)butanoic acid
CC(O)[C@@H]1CC(=O)C(CCCCCCC(=O)O)[C@@H]1C(=O)O
(1R,5R)-2-(6-carboxyhexyl)-5-(1-hydroxyethyl)-3-oxocyclopentane-1-carboxylic acid
CC(C)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1.O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1.O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccccc1F
5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;4-[[2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]methyl]benzoic acid;5-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
NC1(C2CCOC3(CCCCC3)C2)CCCC(C2CC2)C1
3-cyclopropyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
NS(=O)(=O)c1nnc(NC(=O)C=CC2CCCCC2)s1
3-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)prop-2-enamide