Zappu/PubChem_Compound_TOC_70M · Datasets at Hugging Face

cmpdname stringlengths 2 900 ⌀	mf stringlengths 1 63
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-piperazin-1-ylpyrimidine-5-carboxamide;(E)-but-2-enedioic acid	C30H28F7N5O5
(2-Chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine	C16H13ClFN3
2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide	C17H23F3N2O2
5-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxylic acid	C13H11NO3
4-amino-5-chloro-N'-[2-(4-fluorophenyl)acetyl]-2-methoxy-3-nitrobenzohydrazide;4-amino-5-chloro-2-methoxy-3-nitrobenzoic acid;6-chloro-4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methoxy-2-nitroaniline;4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methoxybenzene-1,2-diamine;5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate	C82H71Cl4F4N21O23
(4R)-4-[5-[(4-bromo-2-fluorobenzoyl)amino]pentoxycarbonylamino]pentanoic acid	C18H24BrFN2O5
potassium;1-chloropropane;2-propylsulfanyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione;2-sulfanylidene-1,3-dihydronaphtho[3,2-e]benzimidazole-6,11-dione;hydroxide	C36H30ClKN4O5S2
2-(spiro[2.5]octan-6-ylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione	C19H20F3N3O4
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-2-yl)-2-tri(propan-2-yl)silyloxyethyl]-dicyclohexylphosphanium;cycloocta-1,5-diene;iridium	C40H74IrNOPSi
2-Oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide	C13H13F3N4O2S
methyl (3'R,4S,6'R,7'S,8'Z,15'R)-7-chloro-15'-hydroxy-12'-methyl-7'-[2-[(3S)-3-methylmorpholin-4-yl]ethoxy]-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxylate	C41H54ClN3O7
3-[Ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(piperazin-1-ylmethyl)phenyl]benzamide	C26H36N4O2
(2-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}-5-oxopyrrolidin-1-yl)acetic acid	C21H29N3O4
Chrysene2,8-dicarboxylic dichloride	C20H10Cl2O2
3-[[4-(Trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium	C11H9F3NS+
3-Hydroxyimino-1,4-dimethyl-1,4-benzodiazepine-2,5-dione	C11H11N3O3
3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-[ethyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-methyl-3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid;3-[[4-[[4-cyclohexyl-N-[[3-[ethyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid;3-[[4-[[4-cyclohexyl-N-[[4-methyl-3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid	C152H160F4N16O24S4
[3-[5-[(Z)-3-[3-[3-(diazinan-1-yl)-2-[[2-[formyl(methyl)amino]-3-methylbutanoyl]amino]-3-oxopropyl]phenyl]prop-1-enyl]-4-ethenyl-1-ethyl-2-[2-(1-methoxyethyl)pyridin-3-yl]pyrrol-3-yl]-2,2-dimethylpropyl] formate	C45H62N6O6
(3R,4S)-1-tert-butylsulfinyl-4-hydroxy-3-methyl-5-(2-propyl-1,3-dioxolan-2-yl)pentan-2-one	C16H30O5S
4-chloro-N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-2-methoxybenzamide	C20H16ClFN2O3
6-(benzenesulfonylmethyl)-N-phenyl-1,3-benzodioxol-5-amine	C20H17NO4S
4-Fluoro-3-[[3-(methylaminomethyl)phenoxy]methyl]benzonitrile	C16H15FN2O
(3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(naphthalen-1-ylmethyl)piperazine-2,5-dione	C19H18N4O2
N-(phenylcarbamoyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide	C16H13N5O3S
(1R,2S,3R,11S,12R,13R,15R)-12-hydroxy-8-methoxy-10,17-diazaheptacyclo[9.9.2.01,13.02,17.03,11.03,15.04,9]docosa-4(9),5,7-trien-14-one	C21H24N2O3
(2S)-1-(2-chloroacetyl)-2,5-dihydropyrrole-2-carbonitrile	C7H7ClN2O
2-N-[[3-[4-[1-[3-(dimethylamino)pentyl-methylamino]ethenyl]phenyl]-1,2-dihydropyrazin-5-yl]methyl]-4-methyl-6-methylidenecyclohexa-2,4-diene-1,2-diamine	C29H42N6
N-(1-adamantylmethyl)-4-aminooxane-4-carboxamide;hydrochloride	C17H29ClN2O2
N-[2-(propanoylamino)ethyl]pentacosa-10,12-diynamide	C30H52N2O2
1-[3-[(2S)-1-[ethylsulfonyl(methyl)amino]propan-2-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea	C18H23FN4O4S
Ethyl 1-(3,4-dichloro-2-methoxyphenyl)sulfonylpiperidine-3-carboxylate	C15H19Cl2NO5S
(2S,3S)-3-ethyl-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]pentanoic acid	C30H30N4O6
3-{5-[2-(Thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}-pyridine	C13H9N3OS
5'-Phenyl-7-(10-phenylanthracen-9-yl)spiro[1,2-dihydroindeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]	C55H35N3
N-(2-tert-butylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide	C23H30FN3O
7-Methylnaphthalene-1,6-disulfonic acid;sulfur trioxide	C11H10O9S3
N-[4-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-yl]-2-methylpropanamide	C21H20FN5O
15-(4-Fluorophenyl)-3-phenyl-10-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene	C38H24FN
3-bromo-5-(3-methylpyridin-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine	C18H15BrN6
4-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-(furan-2-yl)-6-propylpyridin-3-amine	C17H23FN4O
H-DL-xiThr-DL-Glu-DL-Glu-DL-xiIle-DL-Ala-DL-Glu-OH	C28H46N6O14
2-(6-Chloro-2-fluoro-3-methylphenyl)-1-(1-cyclopropylcyclopropyl)imidazole	C16H16ClFN2
1-(1-Methylbenzimidazol-2-yl)-3-methylsulfonylbutan-2-amine	C13H19N3O2S
7-[1-(2,6-dimethylphenyl)-3-methyl-2-phenylimidazol-1-ium-4-yl]-2,6-dimethyl-4H-imidazo[1,2-a]indole;3-[1-(2,6-dimethylphenyl)-3-methyl-2-phenylimidazol-1-ium-4-yl]-2,9-dimethyl-11H-indolo[1,2-a]benzimidazole;3-[1-(2,6-dimethylphenyl)-3-methyl-2-phenylimidazol-1-ium-4-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;7-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2,6-dimethyl-4H-imidazo[1,2-a]indole;3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(trideuteriomethyl)-3-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole	C168H165N23+6
1-Hydroxyimino-8-morpholin-4-yloctan-2-one;hydrochloride	C12H23ClN2O3
Ethyl 2-[5-(difluoromethyl)-6-fluoropyridin-2-yl]acetate	C10H10F3NO2
Ethyl 3-nitro-2-(4-phenylanilino)propanoate	C17H18N2O4
(6aR)-3-[3-[[(6aS)-8-(4-methoxyphenyl)-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one	C43H40N4O6
methyl 5-(15N)azanyl-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate	C14H18N2O5
N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-2-(1-prop-2-enylpyrrolidin-3-yl)oxypurin-6-amine	C26H36N8O
ethane;methyl (2S)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate	C13H20O4
2-(2,4-difluorophenyl)sulfonyl-N-propylcyclohexan-1-amine	C15H21F2NO2S
Diethoxy-propyl-[[4-(triethoxysilylmethyl)phenyl]methyl]silane	C21H40O5Si2
Tert-butyl 3-oxo-2-(phenylmethoxymethyl)-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate	C25H39N3O4
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-5-fluoro-2-methylaniline	C13H12Br2FNS
2-[[4-[Carboxy(piperidin-3-yl)amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;hydrochloride	C24H30ClN3O5S
Acetylene;ethynylbenzene;thiophene	C14H12S
Tert-butyl 3-[3-(3-bromo-5-carbamoyl-2-nitrophenoxy)propyl]azetidine-1-carboxylate	C18H24BrN3O6
(3R)-5-[(2S)-3-[(8-cyclopropyloxy-2-methylquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide	C32H28F4N4O5
9H-fluoren-9-ylmethyl N-[1-[cyclopropylmethyl(pentyl)amino]propan-2-yl]carbamate	C27H36N2O2
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide	C15H12FN3OS2
Cyanomethyl 2-[butyl-[[4-[[2-(4-fluorophenyl)-3-oxopropyl]amino]phenyl]methoxycarbonyl]amino]acetate	C25H28FN3O5
4-ethoxy-N-(2-hydroxyethyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-phenylbenzenesulfonamide	C25H29N5O5S
methyl-[(5-pyrazol-1-yl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamic acid	C15H17N3O3
4,8-Dichloro-2-(3,5-difluorophenyl)quinazoline	C14H6Cl2F2N2
ethyl N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]tryptophanate	C23H21N3O5
(3Z)-3-[[2-cyclohexylimino-4-(2-fluorophenyl)-1,3-thiazol-3-yl]imino]-1-pentylindol-2-one	C28H31FN4OS
2-chloro-N-[ethyl-[2-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-6-fluorobenzamide	C18H13ClF6N2O3
Azetidin-1-yl-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone	C19H14F3N3O2
2-[2-[3-[2-[1-(5-Carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3,3-dimethylindol-1-ium-5-sulfonate	C77H122ClN2O30S2-
N-[(2,5-difluorophenyl)methyl]-2-ethylaniline	C15H15F2N
1-{[1-(4-Fluorobenzyl)-4-piperidinyl]carbonyl}-4-phenylpiperazine oxalate	C25H30FN3O5
tert-butyl N-[(3S,9Z,11R,14S,16R)-11-(dimethylsulfamoylcarbamoyl)-11-ethyl-16-(7-methyl-1-propan-2-ylbenzimidazol-2-yl)oxy-2,13-dioxo-1,12-diazabicyclo[12.3.0]heptadec-9-en-3-yl]carbamate	C36H55N7O8S
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-2-methoxyphenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one	C36H40Cl2N8O5
2-N,9-N-bis[6-(3-piperidin-1-ylpropanoylamino)pyridin-2-yl]-1,10-phenanthroline-2,9-dicarboxamide	C40H44N10O4
(7-Fluoro-9-hydroxy-9-phenylxanthen-3-yl)-(4-methylpiperazin-1-yl)methanone	C25H23FN2O3
5-(4-ethenylsulfonylpiperazin-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine	C18H23N3O4S2
2-Chloro-6-(4-chlorophenyl)-4-fluoroaniline	C12H8Cl2FN
(5R)-3-[3-fluoro-4-[5-(methylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one	C16H15FN6O2S2
1-[Ethoxy-[ethoxy(ethyl)phosphoryl]methoxy]ethane	C9H21O4P
Benzenethiol;methanol	C7H10OS
2-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine	C19H13F3N4
ethyl 4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate	C17H23N3O3
3-chloro-6-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-1-benzothiophene-2-carboxamide	C14H13ClFNO2S
(12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1-fluoro-18-hydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,30,30,35-octamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone	C52H80FNO11
5-[3a-[2-(dimethylamino)ethylcarbamoyl]-5b,8,8,11a-tetramethyl-2,3,4,5,5a,6,7,7a,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]thiophene-2-carboxylic acid;prop-1-ene	C38H58N2O3S
2,4-dibromo-N-[1-(3,5-difluorophenyl)ethyl]aniline	C14H11Br2F2N
4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile	C23H18N4
2,5-Bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]oxolane	C14H8F20O3
N-[4-[2-(4-fluorophenyl)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-yl]acetamide	C24H26FN5O2
5-[(4-Aminoimidazo[4,5-c]pyridin-1-yl)methyl]benzene-1,2,3-triol;hydrochloride	C13H13ClN4O3
5-fluoro-N-(2-pyridin-3-ylethyl)pyridin-2-amine	C12H12FN3
N-(4-(benzo[d][1,3]dioxol-5-yloxy)but-2-yn-1-yl)-2-(naphthalen-1-yl)acetamide	C23H19NO4
(2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-N-(4-chloro-3-nitrophenyl)sulfonyl-4-methylsulfanylbutanamide	C30H28Cl2N4O8S2
1,2-Bis(ethylsulfonyl)-7-(pyridin-4-yl)indolizine-3-carboxamide	C18H19N3O5S2
3-(2-Bromo-6-fluorophenyl)prop-2-yn-1-ol	C9H6BrFO
10-[4-(3,5-Dibromo-2-hydroxyphenyl)butan-2-ylamino]-9-hydroxy-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one	C21H23Br2N3O3
1-Methyl-2-propylpiperidin-1-ium;cyanide	C10H20N2
2-(1-Ethylbenzimidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine	C19H20F3N3
6-[4-Phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]	C52H32N4

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-piperazin-1-ylpyrimidine-5-carboxamide;(E)-but-2-enedioic acid

C30H28F7N5O5

(2-Chloro-4-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine

C16H13ClFN3

2-[cyclohexyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H23F3N2O2

5-Oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxylic acid

C13H11NO3

4-amino-5-chloro-N'-[2-(4-fluorophenyl)acetyl]-2-methoxy-3-nitrobenzohydrazide;4-amino-5-chloro-2-methoxy-3-nitrobenzoic acid;6-chloro-4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methoxy-2-nitroaniline;4-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methoxybenzene-1,2-diamine;5-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methoxy-1H-benzimidazol-2-amine;methyl 4-amino-5-chloro-2-methoxy-3-nitrobenzoate

C82H71Cl4F4N21O23

(4R)-4-[5-[(4-bromo-2-fluorobenzoyl)amino]pentoxycarbonylamino]pentanoic acid

C18H24BrFN2O5

potassium;1-chloropropane;2-propylsulfanyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione;2-sulfanylidene-1,3-dihydronaphtho[3,2-e]benzimidazole-6,11-dione;hydroxide

C36H30ClKN4O5S2

2-(spiro[2.5]octan-6-ylideneamino)oxy-5-(4,4,4-trifluorobutyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C19H20F3N3O4

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-id-2-yl)-2-tri(propan-2-yl)silyloxyethyl]-dicyclohexylphosphanium;cycloocta-1,5-diene;iridium

C40H74IrNOPSi

2-Oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H13F3N4O2S

methyl (3'R,4S,6'R,7'S,8'Z,15'R)-7-chloro-15'-hydroxy-12'-methyl-7'-[2-[(3S)-3-methylmorpholin-4-yl]ethoxy]-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-1,12-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-carboxylate

C41H54ClN3O7

3-[Ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(piperazin-1-ylmethyl)phenyl]benzamide

C26H36N4O2

(2-{[4-(2-tert-Butylphenyl)piperazin-1-yl]carbonyl}-5-oxopyrrolidin-1-yl)acetic acid

C21H29N3O4

Chrysene2,8-dicarboxylic dichloride

C20H10Cl2O2

3-[[4-(Trifluoromethyl)phenyl]methyl]-1,3-thiazol-3-ium

C11H9F3NS+

3-Hydroxyimino-1,4-dimethyl-1,4-benzodiazepine-2,5-dione

C11H11N3O3

3-[[4-[[4-(cyclohexen-1-yl)-N-[[3-[ethyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid;3-[[4-[[4-(cyclohexen-1-yl)-N-[[4-methyl-3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid;3-[[4-[[4-cyclohexyl-N-[[3-[ethyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid;3-[[4-[[4-cyclohexyl-N-[[4-methyl-3-[methyl(phenyl)sulfamoyl]phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-fluoropropanoic acid

C152H160F4N16O24S4

[3-[5-[(Z)-3-[3-[3-(diazinan-1-yl)-2-[[2-[formyl(methyl)amino]-3-methylbutanoyl]amino]-3-oxopropyl]phenyl]prop-1-enyl]-4-ethenyl-1-ethyl-2-[2-(1-methoxyethyl)pyridin-3-yl]pyrrol-3-yl]-2,2-dimethylpropyl] formate

C45H62N6O6

(3R,4S)-1-tert-butylsulfinyl-4-hydroxy-3-methyl-5-(2-propyl-1,3-dioxolan-2-yl)pentan-2-one

C16H30O5S

4-chloro-N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-2-methoxybenzamide

C20H16ClFN2O3

6-(benzenesulfonylmethyl)-N-phenyl-1,3-benzodioxol-5-amine

C20H17NO4S

4-Fluoro-3-[[3-(methylaminomethyl)phenoxy]methyl]benzonitrile

C16H15FN2O

(3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(naphthalen-1-ylmethyl)piperazine-2,5-dione

C19H18N4O2

N-(phenylcarbamoyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H13N5O3S

(1R,2S,3R,11S,12R,13R,15R)-12-hydroxy-8-methoxy-10,17-diazaheptacyclo[9.9.2.01,13.02,17.03,11.03,15.04,9]docosa-4(9),5,7-trien-14-one

C21H24N2O3

(2S)-1-(2-chloroacetyl)-2,5-dihydropyrrole-2-carbonitrile

C7H7ClN2O

2-N-[[3-[4-[1-[3-(dimethylamino)pentyl-methylamino]ethenyl]phenyl]-1,2-dihydropyrazin-5-yl]methyl]-4-methyl-6-methylidenecyclohexa-2,4-diene-1,2-diamine

C29H42N6

N-(1-adamantylmethyl)-4-aminooxane-4-carboxamide;hydrochloride

C17H29ClN2O2

N-[2-(propanoylamino)ethyl]pentacosa-10,12-diynamide

C30H52N2O2

1-[3-[(2S)-1-[ethylsulfonyl(methyl)amino]propan-2-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea

C18H23FN4O4S

Ethyl 1-(3,4-dichloro-2-methoxyphenyl)sulfonylpiperidine-3-carboxylate

C15H19Cl2NO5S

(2S,3S)-3-ethyl-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-[1-[2-(pyridine-2-carbonylamino)phenyl]ethylideneamino]pentanoic acid

C30H30N4O6

3-{5-[2-(Thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}-pyridine

C13H9N3OS

5'-Phenyl-7-(10-phenylanthracen-9-yl)spiro[1,2-dihydroindeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]

C55H35N3

N-(2-tert-butylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C23H30FN3O

7-Methylnaphthalene-1,6-disulfonic acid;sulfur trioxide

C11H10O9S3

N-[4-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-yl]-2-methylpropanamide

C21H20FN5O

15-(4-Fluorophenyl)-3-phenyl-10-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C38H24FN

3-bromo-5-(3-methylpyridin-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H15BrN6

4-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-(furan-2-yl)-6-propylpyridin-3-amine

C17H23FN4O

H-DL-xiThr-DL-Glu-DL-Glu-DL-xiIle-DL-Ala-DL-Glu-OH

C28H46N6O14

2-(6-Chloro-2-fluoro-3-methylphenyl)-1-(1-cyclopropylcyclopropyl)imidazole

C16H16ClFN2

1-(1-Methylbenzimidazol-2-yl)-3-methylsulfonylbutan-2-amine

C13H19N3O2S

7-[1-(2,6-dimethylphenyl)-3-methyl-2-phenylimidazol-1-ium-4-yl]-2,6-dimethyl-4H-imidazo[1,2-a]indole;3-[1-(2,6-dimethylphenyl)-3-methyl-2-phenylimidazol-1-ium-4-yl]-2,9-dimethyl-11H-indolo[1,2-a]benzimidazole;3-[1-(2,6-dimethylphenyl)-3-methyl-2-phenylimidazol-1-ium-4-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;7-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2,6-dimethyl-4H-imidazo[1,2-a]indole;3-(2,3-dimethyl-1-propan-2-ylimidazol-1-ium-4-yl)-2-methyl-11H-indolo[1,2-a]benzimidazole;2-methyl-1-(trideuteriomethyl)-3-(1,4,5-trimethylquinolin-1-ium-2-yl)-11H-indolo[1,2-a]benzimidazole

C168H165N23+6

1-Hydroxyimino-8-morpholin-4-yloctan-2-one;hydrochloride

C12H23ClN2O3

Ethyl 2-[5-(difluoromethyl)-6-fluoropyridin-2-yl]acetate

C10H10F3NO2

Ethyl 3-nitro-2-(4-phenylanilino)propanoate

C17H18N2O4

(6aR)-3-[3-[[(6aS)-8-(4-methoxyphenyl)-2-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-(4-methylphenyl)-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

C43H40N4O6

methyl 5-(15N)azanyl-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate

C14H18N2O5

N-[4-(4-methylpiperazin-1-yl)phenyl]-9-propan-2-yl-2-(1-prop-2-enylpyrrolidin-3-yl)oxypurin-6-amine

C26H36N8O

ethane;methyl (2S)-3-(3,4-dihydroxyphenyl)-2-methylpropanoate

C13H20O4

2-(2,4-difluorophenyl)sulfonyl-N-propylcyclohexan-1-amine

C15H21F2NO2S

Diethoxy-propyl-[[4-(triethoxysilylmethyl)phenyl]methyl]silane

C21H40O5Si2

Tert-butyl 3-oxo-2-(phenylmethoxymethyl)-4-(3-piperidin-1-ylpropyl)piperazine-1-carboxylate

C25H39N3O4

4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-5-fluoro-2-methylaniline

C13H12Br2FNS

2-[[4-[Carboxy(piperidin-3-yl)amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;hydrochloride

C24H30ClN3O5S

Acetylene;ethynylbenzene;thiophene

C14H12S

Tert-butyl 3-[3-(3-bromo-5-carbamoyl-2-nitrophenoxy)propyl]azetidine-1-carboxylate

C18H24BrN3O6

(3R)-5-[(2S)-3-[(8-cyclopropyloxy-2-methylquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C32H28F4N4O5

9H-fluoren-9-ylmethyl N-[1-[cyclopropylmethyl(pentyl)amino]propan-2-yl]carbamate

C27H36N2O2

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C15H12FN3OS2

Cyanomethyl 2-[butyl-[[4-[[2-(4-fluorophenyl)-3-oxopropyl]amino]phenyl]methoxycarbonyl]amino]acetate

C25H28FN3O5

4-ethoxy-N-(2-hydroxyethyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-phenylbenzenesulfonamide

C25H29N5O5S

methyl-[(5-pyrazol-1-yl-3,4-dihydro-1H-isochromen-1-yl)methyl]carbamic acid

C15H17N3O3

4,8-Dichloro-2-(3,5-difluorophenyl)quinazoline

C14H6Cl2F2N2

ethyl N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]tryptophanate

C23H21N3O5

(3Z)-3-[[2-cyclohexylimino-4-(2-fluorophenyl)-1,3-thiazol-3-yl]imino]-1-pentylindol-2-one

C28H31FN4OS

2-chloro-N-[ethyl-[2-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-6-fluorobenzamide

C18H13ClF6N2O3

Azetidin-1-yl-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone

C19H14F3N3O2

2-[2-[3-[2-[1-(5-Carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3,3-dimethylindol-1-ium-5-sulfonate

C77H122ClN2O30S2-

N-[(2,5-difluorophenyl)methyl]-2-ethylaniline

C15H15F2N

1-{[1-(4-Fluorobenzyl)-4-piperidinyl]carbonyl}-4-phenylpiperazine oxalate

C25H30FN3O5

tert-butyl N-[(3S,9Z,11R,14S,16R)-11-(dimethylsulfamoylcarbamoyl)-11-ethyl-16-(7-methyl-1-propan-2-ylbenzimidazol-2-yl)oxy-2,13-dioxo-1,12-diazabicyclo[12.3.0]heptadec-9-en-3-yl]carbamate

C36H55N7O8S

2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(triazol-2-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-2-methoxyphenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

C36H40Cl2N8O5

2-N,9-N-bis[6-(3-piperidin-1-ylpropanoylamino)pyridin-2-yl]-1,10-phenanthroline-2,9-dicarboxamide

C40H44N10O4

(7-Fluoro-9-hydroxy-9-phenylxanthen-3-yl)-(4-methylpiperazin-1-yl)methanone

C25H23FN2O3

5-(4-ethenylsulfonylpiperazin-1-yl)sulfonyl-N,N-dimethylnaphthalen-1-amine

C18H23N3O4S2

2-Chloro-6-(4-chlorophenyl)-4-fluoroaniline

C12H8Cl2FN

(5R)-3-[3-fluoro-4-[5-(methylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C16H15FN6O2S2

1-[Ethoxy-[ethoxy(ethyl)phosphoryl]methoxy]ethane

C9H21O4P

Benzenethiol;methanol

C7H10OS

2-[2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]imidazo[1,2-a]pyridine

C19H13F3N4

ethyl 4-[[3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C17H23N3O3

3-chloro-6-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-1-benzothiophene-2-carboxamide

C14H13ClFNO2S

(12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,32S,35R)-1-fluoro-18-hydroxy-12-[(2R)-1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,30,30,35-octamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

C52H80FNO11

5-[3a-[2-(dimethylamino)ethylcarbamoyl]-5b,8,8,11a-tetramethyl-2,3,4,5,5a,6,7,7a,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-yl]thiophene-2-carboxylic acid;prop-1-ene

C38H58N2O3S

2,4-dibromo-N-[1-(3,5-difluorophenyl)ethyl]aniline

C14H11Br2F2N

4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile

C23H18N4

2,5-Bis[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]oxolane

C14H8F20O3

N-[4-[2-(4-fluorophenyl)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyridin-2-yl]acetamide

C24H26FN5O2

5-[(4-Aminoimidazo[4,5-c]pyridin-1-yl)methyl]benzene-1,2,3-triol;hydrochloride

C13H13ClN4O3

5-fluoro-N-(2-pyridin-3-ylethyl)pyridin-2-amine

C12H12FN3

N-(4-(benzo[d][1,3]dioxol-5-yloxy)but-2-yn-1-yl)-2-(naphthalen-1-yl)acetamide

C23H19NO4

(2S)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-N-(4-chloro-3-nitrophenyl)sulfonyl-4-methylsulfanylbutanamide

C30H28Cl2N4O8S2

1,2-Bis(ethylsulfonyl)-7-(pyridin-4-yl)indolizine-3-carboxamide

C18H19N3O5S2

3-(2-Bromo-6-fluorophenyl)prop-2-yn-1-ol

C9H6BrFO

10-[4-(3,5-Dibromo-2-hydroxyphenyl)butan-2-ylamino]-9-hydroxy-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

C21H23Br2N3O3

1-Methyl-2-propylpiperidin-1-ium;cyanide

C10H20N2

2-(1-Ethylbenzimidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C19H20F3N3

6-[4-Phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C52H32N4