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[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(4-tert-butylphenyl)methanone | C29H38N4O |
7-Fluoro-3,3-dimethyl-1-propan-2-ylindol-2-one | C13H16FNO |
4-(2-Diphenylphosphoryloxyethyl)morpholine | C18H22NO3P |
(1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-phenyl-butyl}-phosphinic acid | C38H41N4O6P |
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboximidamide | C10H14FN5 |
N-(3-fluorophenyl)-2-(6-oxo-4-phenylpyrimidin-1(6H)-yl)acetamide | C18H14FN3O2 |
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-[cyclopropylsulfonyl(methyl)amino]butan-2-yl]-3-methyl-2-oxopiperidin-3-yl]-N-(3,4-dihydroxybutyl)acetamide | C32H43Cl2N3O6S |
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol | C28H46O3 |
1-Tert-butyl-2,5-bis(3,4-dimethylphenoxy)-4-[2-[2-(3,4-dimethylphenyl)sulfanyl-4,5-dimethylphenyl]propan-2-yl]benzene | C45H52O2S |
1-[1-[(2R)-4,6-difluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone | C24H23F2N3O3 |
[3-(Difluoromethoxy)phenyl]methyl 3-[(2,2-difluorocyclopropylidene)methyl]-2,2-dimethylcyclopropane-1-carboxylate | C18H18F4O3 |
14lambda6,17-Dithia-11,15-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,7,9,15-tetraene-14,14-dione | C13H14N2O2S2 |
[3-(Dipropylamino)-2-hydroxypropyl] acetate | C11H23NO3 |
6-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine | C20H15N3O2 |
PI-Cer 20:3;2O/13:0;O | C39H72NO12P |
3-amino-4-hydroxy-1H-imidazol-2-one | C3H5N3O2 |
3-[4-(Thiophen-2-ylmethylamino)-6,7,8,9-tetrahydrooxepino[3,2-d]pyrimidin-2-yl]imidazo[1,5-a]pyridine-8-carboxamide | C21H20N6O2S |
2-(4-Methylphenyl)-2-[3-(phenylethoxy)propyl]-1,3-dioxolane | C21H26O3 |
Potassium;1,1-dimethoxyhex-2-yne;5,5-dimethoxypent-1-en-3-yne;2-methylpropan-2-olate;oxolane | C23H41KO6 |
(2S)-N2-(1-benzhydryl-3-azetanyl)-1-(1,3-benzoxazol-2-yl)-2-piperidinecarboxamide | C29H30N4O2 |
N-[1-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide | C23H25N7O4 |
(R)-N-[(4R)-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-3,3-dimethyl-1-oxaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide | C29H57N3O4S2 |
N-(2-fluorophenyl)-2-(oxan-4-ylamino)acetamide | C13H17FN2O2 |
4-Propan-2-yl-3-[2-[1-[4-(1,2,7-trimethyl-2,3-dihydroazepin-6-yl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one | C27H35N5O2 |
ethane;5-ethyl-1H-imidazole | C9H20N2 |
2-[[(4E,8E,12E)-2-[[(18Z,21Z,24Z,27Z,30Z,33Z)-hexatriaconta-18,21,24,27,30,33-hexaenoyl]amino]-3-hydroxydocosa-4,8,12-trienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium | C63H112N2O6P+ |
3-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-cyclopropylbenzamide | C21H24N4O3 |
(3aS,5aR,5bR,11aR)-3a-hydroxy-5a,5b,8,8,11a-pentamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one | C26H42O2 |
(6S)-3-(bromomethyl)-7-[[5-carboxy-5-(2,2,2-trichloroethoxycarbonylamino)pentanoyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid | C18H21BrCl3N3O9S |
2-[[(2E)-2-ethoxyiminopropanoyl]amino]-3-methoxy-N-[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide | C20H34N4O7 |
alpha-l-Galactose 2,3,6-tri-sulfate | C6H12O15S3 |
[3-(4-azaspiro[2.4]heptane-4-carbonyl)-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-5-yl]-(4-chloro-6-fluoro-2,3-dihydro-1H-indol-2-yl)methanone | C22H25ClFN5O2 |
N-(2-ethylphenyl)-2-[4-(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carbonyl)piperazin-1-yl]acetamide | C22H24FN5O2S |
3-[(3-Fluorophenyl)methyl]-6-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one | C18H13FN2OS2 |
(3S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,4S,6S)-3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide | C27H52FN7O14 |
2-Methoxy-1-[2-methyl-4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazin-1-yl]ethanone | C22H22F3N3O3 |
N'-(2-cyclopropylethyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide | C19H31IN4O |
3-[4-(3,3-difluoroazetidin-1-yl)cyclohexen-1-yl]-1H-indole | C17H18F2N2 |
4-Butyl-2-[[(3-chloro-2-hydroxypropyl)-(pyridin-2-ylmethyl)amino]methyl]phenol | C20H27ClN2O2 |
2-amino-3-(7H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)propanoic acid;hydrochloride | C9H12ClN3O2S |
Dabigatran metabolite M354 | C18H19N5O3 |
N-ethyl-2-[6-fluoro-4-(2-formamidoimidazo[1,2-a]pyrazin-6-yl)-5-methyl-1H-indazol-7-yl]propanamide | C20H20FN7O2 |
N-(6-amino-5-nitropyridin-2-yl)-4-methylthiadiazole-5-carboxamide | C9H8N6O3S |
[1-(cyanomethyl)cyclopropyl]methyl (3S,4S)-4-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-3-cyanopiperidine-1-carboxylate | C23H24FN7O3 |
(8S,11S,14S)-3,18-bis(2-aminoethoxy)-14-[[(2S)-4-amino-2-[2-(methylamino)ethylsulfonylamino]butanoyl]-methylamino]-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 | C34H50N10O8S |
N-[4-chloro-2-fluoro-5-(methylamino)phenyl]-N-methoxydiazinane-1-carbothioamide | C13H18ClFN4OS |
5-[1-Fluoro-3-hydroxy-7-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one | C13H21FN2O5S |
1-[7-Fluoro-2-(2-methoxyethylamino)-8-methylquinolin-3-yl]ethylcarbamic acid | C16H20FN3O3 |
4-fluoro-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-indole-2-carboxamide | C20H21FN4O3S |
1,4-Bis(4-bromobenzyl)piperazine | C18H20Br2N2 |
3-[1-[[2-amino-7-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfonyl]ethyl]benzonitrile | C20H24N6O3S2 |
8-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)imidazo[1,2-a]pyrazine;dihydrochloride | C10H13Cl2N5S |
1-(5-bromo-2,4-difluorophenyl)-N-ethyl-4-methylimidazol-2-amine | C12H12BrF2N3 |
N-(4-butan-2-ylphenyl)-4-methyl-N-[4-(10-methylperylen-3-yl)phenyl]aniline | C44H37N |
Dodecylbenzene;2,3,4-trimethylpentan-2-amine | C26H49N |
2-(3,5-Dichlorophenyl)-4-phenylindene-1,3-dione | C21H12Cl2O2 |
4-(3-amino-4-chlorobenzoyl)-1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;4-[4-(aminomethyl)benzoyl]-1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one;1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-4-(1H-indole-5-carbonyl)-3,5-dihydro-1,4-benzodiazepin-2-one;1-[[4-(2,5-dihydropyrrole-1-carbonyl)phenyl]methyl]-4-(1H-indole-6-carbonyl)-3,5-dihydro-1,4-benzodiazepin-2-one;ethyl 3-[4-(4-chlorobenzoyl)-1-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]methyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-7-yl]propanoate;2,2,2-trifluoroacetic acid | C162H149Cl2F15N20O27 |
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate | C21H18FNO3S2 |
N-[3-(3-bromopyridin-2-yl)oxycyclobutyl]quinolin-2-amine;tert-butyl 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxypyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxypyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;carbanide;N-[3-(3-cyclohexylpyridin-2-yl)oxycyclobutyl]quinolin-2-amine;methanol;palladium;hydrochloride | C116H145BBrClN15O13Pd- |
2-tert-butyl-N-(7,7-dimethyl-6-oxooctyl)-5,5,6,6-tetramethylheptanamide | C25H49NO2 |
[4-(3-Chloro-4-fluorophenoxy)-3,5-difluorophenyl]methanamine | C13H9ClF3NO |
1-(4-Bromo-2-methylindazol-7-yl)-1,2,2,2-tetradeuterioethanol | C10H11BrN2O |
1-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]acetamido}cyclopropane-1-carboxylic acid | C26H28N2O5 |
Ethane;1-nitro-4-propan-2-ylnaphthalene | C15H19NO2 |
(Propan-2-ylamino) 2,2-dibutylhexanoate | C17H35NO2 |
(2S)-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(3-methylphenoxy)propanamide | C19H21ClFNO2S |
N-[(3-fluoro-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine | C15H22FNO |
Ethyl 1-[1-(4-bromophenoxy)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carboxylate | C17H20BrN3O4 |
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzothiophen-5-yl]benzenesulfonamide | C29H29N5O3S2 |
Methyl 2-cuban-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate | C16H21NO4 |
(2S)-5-[(1-carboxy-4-methoxy-4-oxobutyl)amino]-2-(methylamino)-5-oxopentanoic acid | C12H20N2O7 |
1-(2,5-Difluorophenyl)-5-methoxyhexan-2-amine | C13H19F2NO |
7-chloro-N-(3-hydroxyoxan-4-yl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide | C21H22ClN3O4 |
3-(dibutylamino)-2-sulfanyl-1H-triazine-6-thione | C11H22N4S2 |
sodium;4-(1-adamantyl)-N-phenylaniline;N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-[4-(4-chlorophenyl)phenyl]-N-phenyldibenzothiophen-2-amine;2-methylpropan-2-olate | C108H98ClN4NaOS2 |
N-benzyl-2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetamide;N,N-diethyl-2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetamide;N-[(2S)-1-hydroxy-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-2-yl]acetamide;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N-(2-phenylethyl)acetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(3-methoxypropyl)propanamide | C115H109I15N6O21 |
2-[5-(4-Ethylpiperidin-1-yl)-4-[(5-methoxynaphthalen-1-yl)sulfonylamino]-5-oxopentyl]guanidine | C24H35N5O4S |
4-[2-chloro-4-[(1R)-1-(chloroamino)ethyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)-1,3,5-triazin-2-amine | C16H17Cl2N7 |
2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide | C20H29IN6O2S |
5-[2-[2-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]ethynyl]pyridine-2-carboxylic acid | C22H16N2O4S |
2-[5-Hydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-4-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol | C53H86O22 |
6-[9,9-Dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene;6-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;19-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene | C228H144O8 |
(10S,15S)-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2,5-dioxo-1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,6-diene-6-carboxamide | C21H20F2N4O4 |
2-(1,3-Benzodioxol-5-ylmethylamino)-1-(3-nitrophenyl)ethanol | C16H16N2O5 |
2-Amino-3-phenyl-1-(piperidin-1-yl)propan-1-one | C14H20N2O |
7-butyl-10-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium | C23H25IrN2- |
4-(difluoromethylsulfanyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide | C20H19F2N3OS |
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-4-oxo-6,7-dihydrothieno[3,2-c]pyridin-5-yl]acetamide | C27H29N7O3S |
N-tert-butyl-1,3-dimethyl-1,3,2-diazaphosphinan-4-imine | C9H20N3P |
1-[4-(4-Methylpiperazin-1-yl)phenyl]-3-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]urea | C30H34N8O2 |
2-[[3-fluoro-4-(2-fluorophenyl)benzoyl]-methylamino]-N-hydroxy-N'-methylpropanediamide | C18H17F2N3O4 |
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide | C28H33ClFN5O3 |
6-[2,6-dichloro-4-(6-methylidene-4-oxo-1H-pyridazin-3-yl)phenoxy]-2-methyl-4-propan-2-ylpyridazin-3-one;6-[2,6-dichloro-4-(1-methyl-6-methylidene-4-oxopyridazin-3-yl)benzoyl]-2-methyl-4-propan-2-ylpyridazin-3-one;6-[2,6-dichloro-4-(1-methyl-6-methylidene-4-oxopyridazin-3-yl)phenoxy]-2-methyl-4-propan-2-ylpyridazin-3-one;3-[3,5-dichloro-4-[(3-oxo-4-propan-2-yl-2H-pyridin-6-yl)oxy]phenyl]-6-methylidene-1H-pyridazin-4-one;3-[3,5-dichloro-4-[(3-oxo-4-propan-2-yl-2H-pyridin-6-yl)oxy]phenyl]-1-methyl-6-methylidenepyridazin-4-one;methane | C100H98Cl10N18O15 |
3-amino-6-[2-(4,4-difluoropiperidin-1-yl)-5-fluoropyrimidin-4-yl]-N-[3-(dipropylamino)pyridin-2-yl]pyrazine-2-carboxamide | C25H30F3N9O |
[[1-(4-Cyclohexa-1,5-dien-1-ylsulfanylphenyl)-1-oxopentan-2-yl]amino] benzoate | C24H25NO3S |
[(2R,3R,4R,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate | C36H36O18 |
Subsets and Splits