Browse: Ligands

Entries beginning with 1
ID Name Formula Number Interacting Families Number Structures
100 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE C12 H8 CL N5 O2 1 1
101 2'-DEOXY-ADENOSINE 3'-MONOPHOSPHATE C10 H14 N5 O6 P 1 1
103 2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE C10 H14 N5 O5 P 1 1
104 N,N'-BIS(2-AMINOETHYL)-1,2-ETHANEDIAMINE C6 H18 N4 0 0
105 N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID C12 H12 B CL N2 O4 2 3
106 4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-BENZENESULFONAMIDE C14 H9 BR N4 O3 S 1 1
107 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE C21 H15 N5 O3 S2 1 1
108 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID C11 H15 N3 O3 1 2
109 2-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID C11 H15 N3 O3 1 2
10A DIDECYL-DIMETHYL-AMMONIUM C22 H48 N 1 1 2
10B N-2-(BIPHENYL-4-YLSULFONYL)-N-2-(ISOPROPYLOXY)-ACETOHYDROXAMIC ACID C17 H20 N2 O5 S 1 2
10C 0 0
10D (2E)-4-FLUORO-3-METHYLBUT-2-EN-1-YL TRIHYDROGEN DIPHOSPHATE C5 H11 F O7 P2 1 1
10E (2E)-4-AMINO-3-METHYLBUT-2-EN-1-YL TRIHYDROGEN DIPHOSPHATE C5 H13 N O7 P2 1 2
10F N-({4-[{[(2R,4S,4AR,6S,8AS)-2-AMINO-4-HYDROXYDECAHYDROPTERIDIN-6-YL]METHYL}(FORMYL)AMINO]PHENYL}CARBONYL)-D-GLUTAMIC ACID C20 H29 N7 O7 1 1
10G (2E)-3-METHYL-4-SULFANYLBUT-2-EN-1-YL TRIHYDROGEN DIPHOSPHATE C5 H12 O7 P2 S 1 2
10H 1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1,3-DIHYDRO-2H-PYRROL-2-ONE C16 H20 N2 O3 S 0 0
10J 3-{5-[(2E,4AR,7AR)-6-BENZOYL-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE C25 H21 N5 O2 S 1 1
10K N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-[4-(THIOPHEN-2-YL)PHENYL]ACETAMIDE C18 H17 N3 O S 0 0
10L 1H-INDAZOL-7-AMINE C7 H7 N3 0 0
10M DECYL 4-O-ALPHA-D-GLUCOPYRANOSYL-1-THIO-BETA-D-GLUCOPYRANOSIDE C22 H42 O10 S 1 3
10O 3-{5-[(2E,4AR,7AR)-2-IMINO-6-(6-METHOXYPYRIDIN-2-YL)-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE C24 H22 N6 O2 S 1 1
10P D-PHENYLALANYL-N-[(1-METHYLPYRIDINIUM-3-YL)METHYL]-L-PROLINAMIDE C21 H27 N4 O2 1 1 1
10Q 2-{(2E,4AR,7AR)-7A-[4-(3-CYANOPHENYL)THIOPHEN-2-YL]-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-6H-PYRROLO[3,4-D]PYRIMIDIN-6-YL}PYRIDINE-3-CARBONITRILE C24 H19 N7 O S 1 1
10R 1-(2-[(R)-2,4-DIHYDROXYBUTOXY]ETHYL)-12-(5-ETHYL-5-HYDROXYHEPTYL)-1,12-DICARBA-CLOSO-DODECABORANE C17 H42 B10 O4 1 1
10S 1-(2-[(S)-2,4-DIHYDROXYBUTOXY]ETHYL)-12-(5-ETHYL-5-HYDROXYHEPTYL)-1,12-DICARBA-CLOSO-DODECABORANE C17 H42 B10 O4 1 1
10T 5-(AMINOMETHYL)-2-METHYL-4-(4-METHYLPHENYL)-6-(2-METHYLPROPYL)PYRIDINE-3-CARBOXIC ACID C19 H24 N2 O2 2 1
10U (S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOPENTYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE C20 H29 N5 O2 1 3
10V 3-{5-[(2E,4AR,7AR)-2-IMINO-6-(3-METHOXYPYRIDIN-2-YL)-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE C24 H22 N6 O2 S 1 1
10W 2-FLUORO-5-{5-[(2E,4AR,7AR)-2-IMINO-3-METHYL-4-OXO-6-PHENYLOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-2-YL}BENZONITRILE C24 H20 F N5 O S 1 1
10X (9Z)-11-{(2S,3S)-3-[(2Z)-PENT-2-EN-1-YL]OXIRAN-2-YL}UNDEC-9-ENOIC ACID C18 H30 O3 1 1
10Y (9Z)-11-{(2R,3S)-3-[(2Z)-PENT-2-EN-1-YL]OXIRAN-2-YL}UNDEC-9-ENOIC ACID C18 H30 O3 1 2
10Z N-(4-{[(2-METHOXYETHYL)AMINO]METHYL}PHENYL)-6-(PYRIDIN-4-YL)QUINAZOLIN-2-AMINE C23 H23 N5 O 1 1
110 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER C28 H38 N4 O7 S 1 1
111 (1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE C16 H25 N3 O7 S2 1 1
112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER C12 H19 N6 O13 P3 S 1 5
113 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID C15 H14 O8 1 2
114 COMPACTIN C23 H36 O6 1 1
115 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID C24 H28 F N O4 1 1
116 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID C26 H36 F N O5 1 1
117 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID C33 H35 F N2 O5 1 1
118 TETRAPHENYLANTIMONIUM ION C24 H20 SB 1 1 1
11A UNDECANOIC ACID C11 H22 O2 1 1
11B (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE C23 H31 N4 O7 P 1 1
11C (2R)-2-AMINOHEXANEDIOIC ACID C6 H11 N O4 1 1
11D 11-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)UNDECANOIC ACID C23 H34 N2 O4 S 2 3
11F 5-[(3S)-3-(2-METHOXYBIPHENYL-4-YL)BUT-1-YN-1-YL]-6-METHYLPYRIMIDINE-2,4-DIAMINE C22 H22 N4 O 1 2
11H 9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,6-DISULFONIC ACID C14 H8 O8 S2 1 1
11J N-BIPHENYL-3-YL-2-IODOBENZAMIDE C19 H14 I N O 3 1
11K N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]ACETAMIDE C20 H26 N4 O2 0 0
11M 1-(1'-{[3-(METHYLSULFANYL)-2-BENZOTHIOPHEN-1-YL]CARBONYL}SPIRO[1-BENZOFURAN-3,4'-PIPERIDIN]-5-YL)METHANAMINE C23 H24 N2 O2 S2 1 1
11N 1-[1'-(3-PHENYLACRYLOYL)SPIRO[1-BENZOFURAN-3,4'-PIPERIDIN]-5-YL]METHANAMINE C22 H24 N2 O2 1 1
11O (TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACID C18 H32 O4 1 1
11P [(7R)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDIN-7-YL(HYDROXY)METHYLENE]BIS(PHOSPHONIC ACID) C9 H13 N O7 P2 1 1
11Q 1-(CYCLOHEXYLMETHYL)-L-PROLINE C12 H21 N O2 0 0
11R RUTHENIUM WIRE, 11 CARBON LINKER C51 H75 N7 O RU 1 1
11S 5-CHLORO-1H-INDOLE C8 H6 CL N 1 1
11U (S)-N-(4-CARBAMIMIDOYLBENZYL)-1-(2-(CYCLOHEXYLAMINO)ETHANOYL)PYRROLIDINE-2-CARBOXAMIDE C21 H31 N5 O2 1 3
11X N-(PYRIDIN-3-YLMETHYL)ANILINE C12 H12 N2 2 3
120 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE C13 H12 N5 O 1 1 3
121 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE C13 H12 N5 O 1 1 1
122 2-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINE C14 H13 N4 O 1 1 2
123 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE C15 H15 N4 O2 1 1 2
124 2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE C15 H14 N3 O 1 1 1
125 2'-O-FLUOROETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE C12 H18 F N2 O9 P 0 0
126 2'-O-METHYL-[TRI(OXYETHYL)]-5-METHYL-URIDINE-5'-MONOPHOSPHATE C17 H29 N2 O12 P 0 0
127 2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE C12 H20 N3 O10 P 0 0
128 SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE C16 H17 N8 O19 P3 3 3
129 [2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACID C3 H8 N O5 P 1 1
12A 2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE C16 H23 N6 O11 P S 0 0
12B BENZO[CD]INDOL-2(1H)-ONE C11 H7 N O 1 1
12C 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE C23 H22 CL N5 O 1 1
12D 2',3'-O-[(1R,6R)-2,4,6-TRINITROCYCLOHEXA-2,4-DIENE-1,1-DIYL]ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) C16 H16 N8 O16 P2 1 1
12E N-{[(2E)-2-(PYRIDIN-4-YLMETHYLIDENE)HYDRAZINO]CARBONOTHIOYL}-BETA-D-GLUCOPYRANOSYLAMINE C13 H18 N4 O5 S 1 1
12F [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[(1R,3R,3AS)-3-[2-(BENZYLOXY)-3-FLUOROPHENYL]-1-HYDROXY-10,11-DIMETHYL-4,6-DIOXO-2,3,5,6-TETRAHYDRO-1H-BENZO[G]PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE C43 H48 F N9 O17 P2 1 1
12H 12-HYDROXYDODECANOIC ACID C12 H24 O3 2 1
12I 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE C13 H16 N4 1 1
12J 2-IODO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE C16 H16 I N O2 3 1
12M (2-ETHYLPHENYL)METHANOL C9 H12 O 2 2
12P DODECAETHYLENE GLYCOL C24 H50 O13 17 32
12Q 1-METHYLQUINOLIN-2(1H)-ONE C10 H9 N O 1 1
12R 4-(2-PHENYLHYDRAZINYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE C11 H10 N6 1 1
12S 6,6'-{[5-(3-AMINOPROPYL)BENZENE-1,3-DIYL]DIETHANE-2,1-DIYL}BIS(4-METHYLPYRIDIN-2-AMINE) C25 H33 N5 1 1
12T 2-AMINOBENZENE-1,4-DICARBOXYLIC ACID C8 H7 N O4 1 1
12U N-CYCLOHEPTYLGLYCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE C22 H33 N5 O2 1 3
12V (2S,3R,4R,5S,6R)-3-(ACETYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2-YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE C17 H27 N3 O16 P2 S 1 3
12Z [4-AMINO-2-(CYCLOHEXYLAMINO)-1,3-THIAZOL-5-YL](PYRIDIN-3-YL)METHANONE C15 H18 N4 O S 1 1
130 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE C20 H16 N4 O 1 3
132 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE C21 H17 CL N3 O 1 1 4
133 6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE C18 H19 F N4 O2 1 1
134 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE C22 H24 F N3 O2 1 1
135 N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDE C14 H13 N3 O2 1 1
136 N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE C15 H13 CL I N3 O2 1 1
137 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE C12 H18 N O9 P 3 5
138 N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE C30 H37 N6 O15 P 1 1
139 ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE C19 H25 N7 O14 P2 1 1
13A 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE C9 H12 N4 O7 S 1 1
13C (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE C17 H20 CL N O4 1 1
13D 1,3-DIAMINOPROPANE C3 H10 N2 1 2
13F 3-METHYL-2-OXO-N-PHENYL-1,2,3,4-TETRAHYDROQUINAZOLINE-6-SULFONAMIDE C15 H15 N3 O3 S 1 1
13I (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE C20 H26 CL N O6 1 1
13J 3-{4-AMINO-1-[(3S)-1-PROPANOYLPIPERIDIN-3-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-[4-(PROPAN-2-YL)PHENYL]BENZAMIDE C29 H33 N7 O2 1 1
13K N~6~-(3,4-DIMETHOXYPHENYL)-2-(MORPHOLIN-4-YL)-4,5'-BIPYRIMIDINE-2',6-DIAMINE C20 H23 N7 O3 1 1
13L 3-{4-AMINO-1-[(3R)-1-PROPANOYLPIPERIDIN-3-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-[4-(PROPAN-2-YL)PHENYL]BENZAMIDE C29 H33 N7 O2 1 1
13M (2S)-2-(4-METHOXY-3-{[(PYREN-1-YLCARBONYL)AMINO]METHYL}BENZYL)BUTANOIC ACID C30 H27 N O4 1 1
13N (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE C25 H27 CL N2 O5 1 1
13P 1,3-DIHYDROXYACETONEPHOSPHATE C3 H7 O6 P 12 29
13Q [(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-(CYCLOPROPYLMETHYL)-2-OXOPIPERIDIN-3-YL]ACETIC ACID C23 H23 CL2 N O3 1 1
13R 13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID C18 H32 O4 1 1
13S 13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACID C18 H32 O4 1 1
13T 13-DEOXYTEDANOLIDE C32 H50 O10 0 0
13U N-CYCLOOCTYLGLYCYL-N-(4-CARBAMIMIDOYLBENZYL)-L-PROLINAMIDE C23 H35 N5 O2 1 2
13V 4-{3-[2-AMINO-5-(2-METHOXYETHOXY)PYRIMIDIN-4-YL]-1H-INDOL-5-YL}-2-METHYLBUT-3-YN-2-OL C20 H22 N4 O3 0 0
13W 3-{5-[(2E,4S)-2-IMINO-1,4-DIMETHYL-6-OXOHEXAHYDROPYRIMIDIN-4-YL]THIOPHEN-3-YL}BENZONITRILE C17 H16 N4 O S 1 1
13X BENZENE-1,3,5-TRIOL C6 H6 O3 1 1
13Y 2-(3-CHLOROPHENOXY)-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC ACID C28 H32 CL N3 O5 1 1
13Z 2-[(2-{(2S,4S)-2-[(R)-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)(HYDROXY)METHYL]-4-FLUOROPYRROLIDIN-1-YL}-2-OXOETHYL)AMINO]-2-METHYLPROPAN-1-OL C17 H29 F N4 O4 2 1
140 N-PALMITOYLGLYCINE C18 H35 N O3 1 5
141 PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIONE C5 H2 N4 O2 1 2
142 CARBIDOPA C10 H14 N2 O4 1 1
143 S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE C8 H13 N3 O5 S 2 2
144 TRIS-HYDROXYMETHYL-METHYL-AMMONIUM C4 H12 N O3 1 11 15
145 1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE C12 H15 N O8 5 2
146 [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] C49 H44 N8 O5 1 2
147 1-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSE C12 H15 N O8 6 5
149 D-GALACTONOLACTONE C6 H10 O6 1 8
14A N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE C19 H27 CL N4 O3 1 1
14B 2-AMINO-3,5-DIMETHYLBENZOIC ACID C9 H11 N O2 1 1
14C 2-(2-CHLOROPYRIDIN-4-YL)-4-METHYL-1H-ISOINDOLE-1,3(2H)-DIONE C14 H9 CL N2 O2 1 2
14D 5-METHYL-1-[(3S)-1-{3-[3-(TRIFLUOROMETHYL)PHENOXY]BENZYL}PIPERIDIN-3-YL]PYRIMIDINE-2,4(1H,3H)-DIONE C24 H24 F3 N3 O3 1 1
14F 2-AMINO-4,5-DIMETHOXYBENZOIC ACID C9 H11 N O4 0 0
14H N-[(1R,3R)-3-HYDROXY-1-(HYDROXYMETHYL)-3-PHENYLPROPYL]TETRADECANAMIDE C24 H41 N O3 1 1
14I NAPHTHO[2,1-B:7,8-B']DIFURAN-2,9-DICARBOXYLIC ACID C16 H8 O6 1 1
14K 4-(2-[(5-FLUORO-6-METHOXYPYRIDIN-3-YL)AMINO]-5-{(1R)-1-[4-(METHYLSULFONYL)PIPERAZIN-1-YL]ETHYL}PYRIDIN-3-YL)-6-METHYL-1,3,5-TRIAZIN-2-AMINE C22 H28 F N9 O3 S 1 1
14L (11S,12S,13S)-11,12,13,14-TETRAHYDRONAPHTHO[1,2,3,4-PQR]TETRAPHENE-11,12,13-TRIOL C24 H18 O3 0 0
14M {(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL)PYRIDIN-2-YL]PIPERIDIN-3-YL}ACETIC ACID C22 H33 N3 O3 S 1 1
14N 4-(4-METHYLPIPERAZIN-1-YL)BENZOIC ACID C12 H16 N2 O2 1 1
14O 5-FLUORO-1H-INDOLE C8 H6 F N 1 1
14Q 5-{3-[3-(1,3-BENZODIOXOL-5-YL)-5-METHOXYPHENYL]PROP-1-YN-1-YL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE C23 H22 N4 O3 1 2
14R 5-BENZYL-2-ETHYL-3-{(1S)-5-[2-(1H-TETRAZOL-5-YL)PHENYL]-2,3-DIHYDRO-1H-INDEN-1-YL}-3,5-DIHYDRO-4H-IMIDAZO[4,5-C]PYRIDIN-4-ONE C31 H27 N7 O 0 0
14S 4-(CYCLOPENTYLAMINO)-2-[(2-METHOXYBENZYL)AMINO]-N-[3-(2-OXOPYRROLIDIN-1-YL)PROPYL]PYRIMIDINE-5-CARBOXAMIDE C25 H34 N6 O3 1 1
14T 3,4-DIFLUOROPHENYL 2-DEOXY-2-[(DIFLUOROACETYL)AMINO]-BETA-D-GLUCOPYRANOSIDE C14 H15 F4 N O6 1 1
14U (2S)-2-METHYL-3-OXOOCTADECANOIC ACID C19 H36 O3 1 1
14V 3,5-DIOXOICOSANOIC ACID C20 H36 O4 1 1
14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE C10 H15 N3 1 3
14X 3-METHYL-6-(PYRROLIDIN-1-YLSULFONYL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE C13 H17 N3 O3 S 1 1
14Z N-ETHYL-3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINAZOLINE-6-SULFONAMIDE C11 H15 N3 O3 S 1 1
150 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE C8 H12 N2 1 1
151 (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID C19 H30 N4 O6 S 1 1
152 CARNITINE C7 H16 N O3 1 2 8
153 (2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID C24 H18 CL2 F3 N O3 1 1
154 (2S)-2-[(5-BENZOFURAN-2-YL-THIOPHEN-2-YLMETHYL)-(2,4-DICHLORO-BENZOYL)-AMINO]-3-PHENYL-PROPIONIC ACID C29 H21 CL2 N O4 S 1 1
155 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE C24 H24 N4 O 1 1
156 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID C24 H26 O3 1 1
157 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE C12 H22 N2 O2 1 1
158 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID C7 H11 N O4 S 1 2
159 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID C9 H11 N O5 S2 1 1
15A (2Z,3R,4S,5R,6R)-2-[(2-AMINOETHYL)IMINO]-6-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL C8 H17 N3 O4 2 1
15B N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE C23 H37 N5 O9 1 1
15C 2-(4-ACETYLPHENYL)-4-METHYL-1H-ISOINDOLE-1,3(2H)-DIONE C17 H13 N O3 1 1
15E 6-BROMO-3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE C9 H9 BR N2 O 1 1
15F 1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM C15 H14 CL3 N2 O 1 1 1
15G 2-{2-[(3,4-DIFLUOROPHENOXY)METHYL]-5-METHOXYPYRIDIN-4-YL}-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE C20 H17 F2 N3 O3 1 2
15H (1S)-1-(1-{3-[4-(1,3-BENZOTHIAZOL-2-YLAMINO)PHENOXY]PYRAZIN-2-YL}PIPERIDIN-4-YL)ETHANOL C24 H25 N5 O2 S 1 1
15I 6-(2,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE C14 H20 N6 1 1
15J (1-{3-[4-(1H-BENZIMIDAZOL-2-YLAMINO)PHENOXY]PYRIDIN-2-YL}PIPERIDIN-4-YL)METHANOL C24 H25 N5 O2 1 1
15L GALACTARO-1,5-LACTONE C6 H8 O7 1 1
15M (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-5-ENAMIDE C25 H37 N O4 1 1
15N (2R)-2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLIC ACID C9 H8 O4 1 1
15P POLYETHYLENE GLYCOL (N=34) C69 H140 O35 25 35
15Q 2-CHLORO-3'-FLUORO-3-[(E)-(HYDROXYIMINO)METHYL]BIPHENYL-4,4'-DIOL C13 H9 CL F N O3 1 1
15R (9AR)-1-[(1-{2-FLUORO-5-[(4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL]BENZOYL}PIPERIDIN-4-YL)CARBONYL]-1,2,3,8,9,9A-HEXAHYDRO-7H-BENZO[DE][1,7]NAPHTHYRIDIN-7-ONE C33 H30 F N5 O4 1 1
15S N-{(2S)-1-[4-(4-FLUOROPHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL]-1-OXOPROPAN-2-YL}-2-[(9AR)-7-OXO-2,3,7,8,9,9A-HEXAHYDRO-1H-BENZO[DE][1,7]NAPHTHYRIDIN-1-YL]ACETAMIDE C27 H29 F N4 O3 1 1
15T 3-(TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)PROPANENITRILE C19 H23 N5 O 1 1
15U (2R,4R)-4-METHYL-1-(N~2~-{[(3S)-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL]SULFONYL}-L-ARGINYL)PIPERIDINE-2-CARBOXYLIC ACID C23 H36 N6 O5 S 1 1
15V N-[1-(3-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-5-YL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE C17 H13 CL N6 O 1 1
15W 7-HYDROXY-2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE C16 H12 O4 1 1
15X 1-{4-[(2-FLUORO-6-METHOXY-3'-NITROBIPHENYL-3-YL)METHYL]PHENYL}UREA C21 H18 F N3 O4 1 1
15Z 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4H-CHROMEN-4-ONE C15 H10 O5 1 1
160 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID C20 H24 N2 O8 S5 1 1
161 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID C20 H20 N2 O9 S 1 1
162 (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-3-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL} -1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID C23 H32 N6 O4 1 1
163 (2-{2-[(5-CARBAMIMIDOYL-1-METHYL-1H-PYRROL-2-YLMETHYL)-CARBAMOYL]-PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL-2-OXO-ETHYLAMINO)-ACETIC ACID C23 H32 N6 O4 1 1
164 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID C11 H12 O6 1 1
165 N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE C28 H35 N5 O4 S2 1 1
166 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID C22 H26 N2 O4 1 1
167 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID C23 H28 N2 O4 1 1
168 PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID C18 H32 N2 O7 1 1
169 1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID C18 H33 N7 O5 1 1
16A CETYL-TRIMETHYL-AMMONIUM C19 H42 N 1 3 4
16B N-HYDROXYCYTIDINE 5'-(DIHYDROGEN PHOSPHATE) C9 H14 N3 O9 P 1 2
16C N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE C34 H67 N O3 2 3
16D HEXANE-1,6-DIAMINE C6 H16 N2 1 2
16E N-(16-CARBOXYHEXADECANOYL)-L-GLUTAMIC ACID C21 H37 N O7 1 2
16F N-({(2Z)-2-[(3-HYDROXYPHENYL)METHYLIDENE]HYDRAZINO}CARBONOTHIOYL)-BETA-D-GLUCOPYRANOSYLAMINE C14 H19 N3 O6 S 1 1
16G N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE C8 H16 N O9 P 6 7
16H N-[(1R,3R)-3-HYDROXY-1-(HYDROXYMETHYL)-3-PHENYLPROPYL]HEXADECANAMIDE C26 H45 N O3 1 1
16K 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-(3-NITROPHENYL)PYRIMIDIN-2-AMINE C15 H13 N5 O2 S 0 0
16O N-({(2E)-2-[(4-BROMOPHENYL)METHYLIDENE]HYDRAZINO}CARBONOTHIOYL)-BETA-D-GLUCOPYRANOSYLAMINE C14 H18 BR N3 O5 S 1 1
16P 3,6,9,12,15,18-HEXAOXAICOSANE C14 H30 O6 3 2
16S 2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE C15 H10 O4 1 1
16T 1-[(3S)-1-{[3-(3-CHLOROPHENOXY)-4-HYDROXYPHENYL]SULFONYL}PIPERIDIN-3-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE C22 H22 CL N3 O6 S 1 1
16U N-(3-CHLOROBENZYL)-1-(4-METHYLPENTANOYL)-L-PROLINAMIDE C18 H25 CL N2 O2 1 1
16V 3-[3-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)PROPOXY]-4-FLUOROBENZOIC ACID C15 H17 F N2 O3 0 0
16W 3-[(3-CHLOROPHENOXY)METHYL]-1-(TETRAHYDRO-2H-PYRAN-4-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE C17 H18 CL N5 O2 1 2
16X 4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)-N-(3-DIOXAZIRIDIN-3-YLPHENYL)PYRIMIDIN-2-AMINE C14 H12 N6 O2 S 1 1
16Y 16-HYDROXYHEXADECANOIC ACID C16 H32 O3 1 1
170 (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE C21 H17 CL2 F2 N9 O3 1 1
171 2-PHENYLAMINO-ETHANESULFONIC ACID C8 H11 N O3 S 1 1
172 2-AMINO-5-HYDROXY-BENZIMIDAZOLE C7 H7 N3 O 2 2
173 BENZOYL-FORMIC ACID C8 H6 O3 3 2
174 4-CHLORO-BENZOIC ACID C7 H5 CL O2 1 2
175 3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON C8 H16 N4 O3 1 2
176 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE C27 H27 CL2 N3 O2 1 1
177 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE C24 H35 CL N4 O4 1 1
178 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL C18 H22 O2 S 2 1
179 N-[(NAPHTHALEN-2-YLAMINO)(OXO)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE C18 H20 N2 O7 1 1
17A (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID C26 H31 N2 O6 P S 1 1
17B (2Z,3R,4S,5R,6R)-2-[(4-AMINOBUTYL)IMINO]-6-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL C10 H21 N3 O4 1 1
17C 2,2'-IMINODIBENZOIC ACID C14 H11 N O4 1 1
17D 2-BENZYLBENZOIC ACID C14 H12 O2 1 1
17F O-[(S)-({(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL}OXY)(HYDROXY)PHOSPHORYL]-L-SERINE C42 H78 N O10 P 4 1
17G 9-(6-AMINOPYRIDIN-3-YL)-1-[3-(TRIFLUOROMETHYL)PHENYL]BENZO[H][1,6]NAPHTHYRIDIN-2(1H)-ONE C24 H15 F3 N4 O 1 1
17H 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE C21 H28 O2 1 1
17J 4-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)-N-(PYRIDIN-3-YL)PIPERAZINE-1-CARBOXAMIDE C18 H18 N6 O S 1 1
17K (3R)-N-(2-FORMYLINDOLIZIN-3-YL)-4-[(PHENYLACETYL)OXY]-3-SULFINO-D-VALINE C22 H22 N2 O7 S 1 1
17L (9AS)-8-ACETYL-N-[(3-ETHOXYNAPHTHALEN-1-YL)METHYL]-1,7-DIHYDROXY-3-METHOXY-9A-METHYL-9-OXO-9,9A-DIHYDRODIBENZO[B,D]FURAN-4-CARBOXAMIDE C30 H27 N O8 1 1
17M 17-METHYL-17-ALPHA-DIHYDROEQUILENIN C19 H22 O2 1 1
17N 8-METHOXYPHENANTHRO[3,4-D][1,3]DIOXOLE-5,6-DICARBOXYLIC ACID C18 H12 O7 1 1
17O (7R)-6-FORMYL-7-(4H-PYRAZOLO[1,5-C][1,3]THIAZOL-2-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID C12 H11 N3 O3 S2 1 1
17P 1-(CYCLOHEXYLAMINO)-7-(1-METHYL-1H-PYRAZOL-4-YL)-5H-PYRIDO[4,3-B]INDOLE-4-CARBOXAMIDE C22 H24 N6 O 1 1
17R (2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYL-1-{[3-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]SULFONYL}PIPERAZINE C20 H19 F4 N5 O2 S 1 1
17S N-({(2E)-2-[(4-METHOXYPHENYL)METHYLIDENE]HYDRAZINO}CARBONOTHIOYL)-BETA-D-GLUCOPYRANOSYLAMINE C15 H21 N3 O6 S 1 1
17T N-({(2E)-2-[(4-CHLOROPHENYL)METHYLIDENE]HYDRAZINO}CARBONOTHIOYL)-BETA-D-GLUCOPYRANOSYLAMINE C14 H18 CL N3 O5 S 1 1
17V 2-[1-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]-4,5-DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-8-CARBOXAMIDE C18 H18 N4 O2 S 1 1
17W 2-[(2-PHENOXYETHYL)SULFANYL]-1H-BENZIMIDAZOLE C15 H14 N2 O S 1 1
17X (2S)-2-(2-PHENYL-1H-BENZIMIDAZOL-1-YL)-2-(PIPERIDIN-4-YL)ETHYL 1-(1-BENZYL-1H-BENZIMIDAZOL-2-YL)PIPERIDINE-4-CARBOXYLATE C40 H42 N6 O2 1 1
17Z 2-METHYLNAPHTHALENE-1,4-DIOL C11 H10 O2 1 1
180 2-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-3-[[2-CARBONYL-5-[2-(PIPERIDIN-4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-PROPIONIC ACID C22 H26 N4 O5 S3 1 1
181 1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE C13 H14 N2 O4 S 1 1
182 1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLSELANYL)PYRIMIDINE-2,4(1H,3H)-DIONE C13 H14 N2 O4 SE 1 1
183 1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE C21 H22 N2 O5 1 1
184 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID C26 H28 O3 1 1
185 (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL C21 H16 BR N5 O2 1 1
186 [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER C23 H24 N2 O5 1 1
187 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE C25 H17 F4 N7 O 1 1
188 PYOCHELIN FE(III) C14 H14 FE N2 O3 S2 1 1
189 N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE C33 H43 N3 O4 S 1 1
18B 3-[2-[(Z)-[3-(2-CARBOXYETHYL)-5-[(Z)-(3-ETHENYL-4-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-PYRROL-2-YLIDENE]METHYL]-5-[(Z)-(4-ETHYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID C33 H36 N4 O6 1 1
18C N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE C36 H71 N O3 1 2
18D 3,5-DIDEOXY-5-(PROPANOYLAMINO)-D-GLYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSONIC ACID C12 H21 N O9 1 1
18E 7-CHLORO-10-METHYL-11H-BENZO[G]PYRIDO[4,3-B]INDOL-3-OL C16 H11 CL N2 O 1 1
18F 1-BENZYL-2-PHENYL-1H-BENZIMIDAZOLE C20 H16 N2 1 1
18K N'-[4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N,N-DIMETHYLBENZENE-1,4-DIAMINE C16 H18 N6 S 0 0
18L (2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL (9Z,12Z)-OCTADECA-9,12-DIENOATE C21 H39 O7 P 1 1
18M 2'-O-METHYLGUANOSINE 3',5'-BIS(DIHYDROGEN PHOSPHATE) C11 H17 N5 O11 P2 0 0
18N 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE C12 H7 N O2 1 1
18O N-({(2E)-2-[(4-NITROPHENYL)METHYLIDENE]HYDRAZINO}CARBONOTHIOYL)-BETA-D-GLUCOPYRANOSYLAMINE C14 H18 N4 O7 S 1 1
18P N-{3-[(2R)-6-AMINO-2,4-DIMETHYL-3-OXO-2,3,4,5-TETRAHYDROPYRAZIN-2-YL]PHENYL}-5-CHLOROPYRIDINE-2-CARBOXAMIDE C18 H18 CL N5 O2 1 1
18Q 2'-DEOXY-5-[(THIOPHEN-2-YLMETHYL)CARBAMOYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) C15 H18 N3 O9 P S 0 0
18R 3-{1-[(3R)-1-ACRYLOYLPIPERIDIN-3-YL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-(3-TERT-BUTYLPHENYL)BENZAMIDE C30 H33 N7 O2 1 1
18S N-({(2E)-2-[(4-METHYLPHENYL)METHYLIDENE]HYDRAZINO}CARBONOTHIOYL)-BETA-D-GLUCOPYRANOSYLAMINE C15 H21 N3 O5 S 1 1
18T [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL (2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL DIHYDROGEN DIPHOSPHATE C16 H26 N2 O15 P2 1 1
18W 3-[(5Z)-5-{[3-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-5-METHYL-1H-PYRROL-2-YL]METHYLIDENE}-4-(CARBOXYMETHYL)-2-OXO-2,5-DIHYDRO-1H-PYRROL-3-YL]PROPANOIC ACID C20 H22 N2 O9 1 1
18Z 2-{[(2-AMINOPYRIMIDIN-5-YL)METHYL]AMINO}-5-NITRO-4-{[2-(PIPERAZIN-1-YL)ETHYL]AMINO}BENZAMIDE C18 H25 N9 O3 1 1
190 N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE C31 H37 BR F N O5 S 1 1
191 PROPIONYL COENZYME A C24 H41 N7 O17 P3 S 1 1 1
192 1-AMINOCYCLOBUTANECARBOXLIC ACID C5 H9 N O2 2 1
193 0 0
194 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID C21 H14 N2 O8 1 1
195 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID C28 H18 N4 O11 1 1
196 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE C17 H10 F N O2 1 1
197 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID C32 H33 N3 O6 1 1
198 R-BICALUTAMIDE C18 H14 F4 N2 O4 S 3 3
199 N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE C24 H24 N6 O 1 1
19A N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE C16 H16 N4 O 1 1
19B 4-METHYL-N-(3-MORPHOLIN-4-YLPHENYL)-3-(3-PIPERIDIN-4-YL-1,2-BENZISOXAZOL-6-YL)BENZAMIDE C30 H32 N4 O3 1 1
19C 2-[(3-CHLORANYL-4-FLUORANYL-PHENYL)METHYL]-6,7-BIS(OXIDANYL)ISOINDOL-1-ONE C15 H11 CL F N O3 1 1
19E 11-CHLORO-8-METHYL-7H-BENZO[E]PYRIDO[4,3-B]INDOL-3-OL C16 H11 CL N2 O 1 1
19G 3-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)PROPYL]-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID C20 H19 CL O3 S 1 1
19H 6-CHLORO-3-[3-(4-CHLORO-3,5-DIMETHYLPHENOXY)PROPYL]-1H-INDOLE-2-CARBOXYLIC ACID C20 H19 CL2 N O3 1 1
19J 2-[2-[(2-AZANYL-4-OXIDANYLIDENE-1H-PTERIDIN-7-YL)CARBONYLAMINO]ETHANOYLAMINO]ETHANOIC ACID C11 H11 N7 O5 1 1
19K N~4~-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N~1~,N~1~-DIMETHYL-2-NITROBENZENE-1,4-DIAMINE C17 H18 N6 O2 S 0 0
19L (2S)-2-[[(2S)-2-[(2-AZANYL-4-OXIDANYLIDENE-1H-PTERIDIN-7-YL)CARBONYLAMINO]-3-OXIDANYL-PROPANOYL]AMINO]-3-(1H-INDOL-3-YL)PROPANOIC ACID C21 H20 N8 O6 1 1
19M (2S)-2-[[(2S)-2-[2-[(2-AZANYL-4-OXIDANYLIDENE-1H-PTERIDIN-7-YL)CARBONYLAMINO]ETHANOYLAMINO]-3-PHENYL-PROPANOYL]AMINO]-3-PHENYL-PROPANOIC ACID C27 H26 N8 O6 1 1
19N [(1R)-1-AMINO-5-CARBAMIMIDAMIDOPENTYL]PHOSPHONIC ACID C6 H17 N4 O3 P 1 1
19O NATRIUM-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-OCTAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACEN-8,19-BISPHOSPHATE C44 H36 O6 P2 1 2
19Q 2-CYCLOPROPYL-N-[(2S)-3-HYDROXY-3-METHYLBUTAN-2-YL]-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE C15 H20 N4 O2 1 1
19R 2-CYCLOPROPYL-N-[(2R)-3-HYDROXY-3-METHYLBUTAN-2-YL]-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE C15 H20 N4 O2 1 1
19S 2-CYCLOPROPYL-N-[(2R)-1-OXO-1-(PIPERIDIN-1-YL)PROPAN-2-YL]-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE C18 H23 N5 O2 1 1
19U 1-[(2R)-2-AMINOBUTANOYL]-N-(3-CHLOROBENZYL)-L-PROLINAMIDE C16 H22 CL N3 O2 1 1
19V 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R,2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2-YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE C33 H45 N7 O2 1 1
19W 5-(AMINOOXY)-L-NORVALINE C5 H12 N2 O3 0 0
19X 6-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1H-ISOINDOL-1-ONE C20 H19 CL N6 O S 1 1
19Y 6-ETHYL-4-METHOXY-2-(PYRIDIN-3-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBALDEHYDE C15 H14 N4 O2 S 1 2
19Z 2-[(4-HYDROXYBENZYL)AMINO]-5-NITROBENZAMIDE C14 H13 N3 O4 1 1
1A0 (3R)-1-[5-CHLORO-6-ETHYL-2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]PYRROLIDIN-3-AMINE C19 H19 CL N8 S 1 1
1A1 N-[7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL]CYCLOPROPANECARBOXAMIDE C17 H13 N7 O S 1 1
1A2 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE C21 H22 F2 N6 O 1 1
1A3 N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE C16 H14 N2 O3 S2 1 1
1A4 N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE C13 H10 N2 O3 S3 1 1
1A5 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE C10 H10 N2 O3 1 1
1A6 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE C11 H10 N4 O S 1 1
1A7 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE C9 H6 F N O S 1 1
1A8 N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE C17 H17 N3 O4 S3 1 1
1A9 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE C22 H25 N3 O4 S3 1 1
1AA 5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE C18 H24 N4 O13 P2 1 1
1AB 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL C5 H11 N O3 1 1
1AC 1-AMINOCYCLOPROPANECARBOXYLIC ACID C4 H7 N O2 3 4
1AD (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE C15 H25 N3 O 2 1
1AE (1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE C6 H11 O6 P 1 1
1AG (2S)-2,3-DIHYDROXYPROPYL (5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOATE C23 H38 O4 1 1
1AH 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE C34 H41 BR N4 O6 1 1
1AJ 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE C11 H11 N3 O S 1 1
1AK 4-{5-[(E)-2-{4-(2-CHLOROPHENYL)-5-[5-(METHYLSULFONYL)PYRIDIN-2-YL]-4H-1,2,4-TRIAZOL-3-YL}ETHENYL]-1,3,4-OXADIAZOL-2-YL}BENZONITRILE C25 H16 CL N7 O3 S 1 1
1AL ALLANTOATE ION C4 H7 N4 O4 -1 2 2
1AM 2-(6-METHOXY-1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-N-[4-(PIPERAZIN-1-YL)PYRIDIN-3-YL]-1,3-THIAZOLE-4-CARBOXAMIDE C22 H22 N6 O3 S 1 1
1AN 2-FLUOROANILINE C6 H6 F N 1 1
1AO 2-(1H-INDAZOL-1-YL)-N-[2-(PIPERAZIN-1-YL)PHENYL]-1,3-THIAZOLE-4-CARBOXAMIDE C21 H20 N6 O S 1 1
1AP 2,6-DIAMINOPURINE NUCLEOTIDE C10 H15 N6 O6 P 2 2
1AQ (3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N-METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H-CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE C31 H45 F2 N5 O5 1 2
1AT BETA-D-FRUCTOFURANOSYL 6-O-DECANOYL-ALPHA-D-GLUCOPYRANOSIDE C22 H40 O12 2 1
1AU 1-[1-(3-AMINOPHENYL)-3-TERT-BUTYL-1H-PYRAZOL-5-YL]-3-NAPHTHALEN-1-YLUREA C24 H25 N5 O 2 2
1AV 7-(1H-IMIDAZOL-1-YL)-2-(PYRIDIN-3-YL)[1,3]THIAZOLO[5,4-D]PYRIMIDIN-5-AMINE C13 H9 N7 S 1 1
1AW 1-[1-(3-AMINOPHENYL)-3-TERT-BUTYL-1H-PYRAZOL-5-YL]-3-PHENYLUREA C20 H23 N5 O 1 1
1AX (2R,2'R)-3,3'-OXYDIPROPANE-1,2-DIOL C6 H14 O5 1 1
1AY 5-CHLORO-2-(5-CHLOROPYRIDIN-2-YL)-6-METHYL-N-((R)-2-PHENYL-2-(4-PHENYLBUTYLAMINO)ETHYL)PYRIMIDIN-4-AMINE C30 H35 N5 1 1
1AZ 1-(3,4-DICHLOROBENZYL)-3,7-DIMETHYL-8-MORPHOLIN-4-YL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE C18 H19 CL2 N5 O3 1 2
1B0 N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE C27 H27 N3 O2 1 1
1B1 (2R)-2-CYCLOPROPYL-5-METHYL-2-[3-(5-PROP-1-YN-1-YLPYRIDIN-3-YL)PHENYL]-2H-IMIDAZOL-4-AMINE C21 H20 N4 1 1
1B8 3-[2-BROMO-4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]-N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-L-ALANINE C21 H20 BR CL N4 O2 S 1 1
1B9 3-(4-BROMOTHIOPHEN-3-YL)-N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-L-ALANINE C18 H18 BR CL N2 O2 S 1 1
1BA 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE C17 H20 N2 O2 1 1
1BB 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE C24 H22 CL N5 O 1 1
1BC 2-{(1S)-1-{[(1Z)-6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1(2H)-YLIDENE]AMINO}-2-[2-PROPYL-4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]ETHYL}PYRIMIDIN-4(5H)-ONE C27 H29 CL N6 O S 1 1
1BD 3-[({(1E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}AMINO)OXY]PROPANOIC ACID C11 H10 F3 N O3 1 1
1BE N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-3-[2-PROPYL-4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]-L-ALANINE C24 H27 CL N4 O2 S 1 1
1BF N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-3-[4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]-L-ALANINE C21 H21 CL N4 O2 S 1 1
1BG (3S,8AR)-2-{(2S)-2-CYCLOHEXYL-2-[(N-METHYL-L-ALANYL)AMINO]ACETYL}-N-[(1R)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]OCTAHYDROPYRROLO[1,2-A]PYRAZINE-3-CARBOXAMIDE C30 H45 N5 O3 1 1
1BH N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL C26 H33 N3 O5 1 1
1BI 3-CYCLOHEXYL-2-(FURAN-3-YL)-1-[2-(MORPHOLIN-4-YL)-2-OXOETHYL]-N-(PHENYLSULFONYL)-1H-INDOLE-6-CARBOXAMIDE C31 H33 N3 O6 S 0 0
1BL (2R)-5-{[(2S,3R)-4-{[1-(3-TERT-BUTYLPHENYL)CYCLOHEXYL]AMINO}-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]AMINO}-2-HYDROXY-5-OXOPENTANOIC ACID C31 H42 F2 N2 O5 1 1
1BM 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-4-YL]AMINO}-4-METHYLPHENOL C24 H29 N7 O 1 1
1BN 1-BENZYL-1H-IMIDAZOLE C10 H10 N2 1 2
1BO 1-BUTANOL C4 H10 O 7 10
1BP 1-BROMOPROPANE-2-OL C3 H7 BR O 1 1
1BQ [4-(2-HYDROXYETHYL)PIPERIDIN-1-YL][4-(5-METHYL-4,4-DIOXIDO-1,5-DIHYDROPYRAZOLO[4,3-C][2,1]BENZOTHIAZIN-8-YL)PHENYL]METHANONE C24 H26 N4 O4 S 1 1
1BR N-(4-TERT-BUTYLBENZYL)-1,5-DIMETHYL-1,5-DIHYDROPYRAZOLO[4,3-C][2,1]BENZOTHIAZIN-8-AMINE 4,4-DIOXIDE C22 H26 N4 O2 S 1 1
1BS 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}PYRIDO[4,3-D]PYRIMIDIN-4(1H)-ONE C26 H24 CL N5 O 1 1
1BT (2E)-3-(4-{[6-(1,3-BENZOTHIAZOL-5-YLAMINO)-9H-PURIN-2-YL]AMINO}-3,5-DIMETHYLPHENYL)PROP-2-ENENITRILE C23 H18 N8 S 1 1
1BU 1-{4-[(6-AMINOQUINAZOLIN-4-YL)AMINO]PHENYL}-3-[3-TERT-BUTYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA C29 H30 N8 O 2 3
1BV (2R,6S,7E,10E,13AR,14AR,16AS)-2-{[7-METHOXY-8-METHYL-2-(PROPAN-2-YLOXY)QUINOLIN-4-YL]OXY}-N-[(1-METHYLCYCLOPROPYL)SULFONYL]-6-{[(1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]AMINO}-5,16-DIOXO-1,2,3,6,9,12,13,13A,14,15,16,16A-DODECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECINE-14A(5H)-CARBOXAMIDE C41 H51 N7 O9 S 1 3
1BW N-[(3S,4R,5R,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)PIPERIDIN-3-YL]BUTANAMIDE C10 H20 N2 O4 1 1
1BX 1-HYDROXY-6-(4-HYDROXYBENZYL)-4-METHYLPYRIDIN-2(1H)-ONE C13 H13 N O3 1 1
1BY [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) C7 H12 N2 O6 P2 1 1
1BZ 6-BENZYL-1-HYDROXY-4-METHYLPYRIDIN-2(1H)-ONE C13 H13 N O2 1 1
1C0 5-CYCLOPROPYL-6-{[(7-FLUORO-1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL)METHYL](METHYLSULFONYL)AMINO}-2-(4-FLUOROPHENYL)-N-METHYL-1-BENZOFURAN-3-CARBOXAMIDE C28 H25 B F2 N2 O6 S 1 1
1C1 AMINO({[(1R,2R)-1-({[(4-CHLORO-3-FLUOROPHENYL)AMINO](OXO)ACETYL}AMINO)-2,3-DIHYDRO-1H-INDEN-2-YL]METHYL}AMINO)METHANIMINIUM C19 H20 CL F N5 O2 1 1 2
1C2 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER C16 H23 N3 O6 S 1 1
1C4 (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-3,5,9-TRIHYDROXY-8,8-DIMETHYL-3,5-DIOXIDO-10,14,20-TRIOXO-2,4,6-TRIOXA-18-THIA-11,15-DIAZA-3LAMBDA~5~,5LAMBDA~5~-DIPHOSPHAICOSAN-20-YL}AMINO)PENTANEDIOIC ACID (NON-PREFERRED NAME) C28 H45 N8 O21 P3 S 0 0
1C5 [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE C26 H39 N4 O10 P 1 1
1C6 6-METHOXY-2-{[(4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL]SULFANYL}-1H-BENZIMIDAZOLE C17 H19 N3 O2 S 1 2
1C8 (7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-2-[2-(1,3-THIAZOL-4-YL)-1H-IMIDAZOL-1-YL]-7,8-DIHYDROPTERIDIN-6(5H)-ONE C20 H23 N7 O S 1 1
1C9 (2E)-N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-METHOXYQUINAZOLIN-6-YL}-4-(PIPERIDIN-1-YL)BUT-2-ENAMIDE C24 H25 CL F N5 O2 1 2
1CA DESOXYCORTICOSTERONE C21 H30 O3 2 7
1CB CYCLOPENTANAMINE C5 H11 N 1 1
1CC 1 1
1CD (13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE C22 H21 N5 O3 1 1
1CE 3-(1H-TETRAZOL-5-YLMETHYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE C12 H12 N6 O S 1 1
1CG [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID C23 H18 F N3 O6 S 1 1
1CH N-(3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-L-PHENYLALANINE C20 H22 N2 O2 1 1
1CI 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE C9 H7 CL N2 1 1
1CK 4-BROMO-N-(5-METHYL-1H-PYRAZOL-3-YL)BENZAMIDE C11 H10 BR N3 O 0 0
1CL FE(8)-S(7) CLUSTER, OXIDIZED FE8 S7 1 1
1CM (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE C15 H16 N2 O 1 1
1CN 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE C8 H7 CL F N5 O4 S3 1 1
1CO (3S)-3-HYDROXY-3-METHYL-5-SULFANYLPENTANOIC ACID C6 H12 O3 S 1 2
1CP COPROPORPHYRIN I C36 H44 N4 O8 1 3
1CQ 4,4'-{3-[(4-HYDROXYPHENYL)AMINO]-1H-PYRAZOLE-4,5-DIYL}DIPHENOL C21 H17 N3 O3 0 0
1CR POPO-2-[4-(2-(4-(METHOXY)-1H-1,2,3-TRIAZOL-1-YL)ETHYL)BENZENESULFONAMIDE]-7,12-BIS-[3-(4-(METHOXY)-1H-1,2,3-TRIAZOL-1-YL)PROPANOIC ACID]-CRYPTOPHANE-A C74 H74 N10 O18 S 1 1
1CS 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA C12 H12 CL N5 O4 S 2 2
1CT [2-(2-OXO-2-{[2-(TRIFLUOROMETHYL)PHENYL]AMINO}ETHOXY)PHENYL]PHOSPHONIC ACID C15 H13 F3 N O5 P 1 1
1CV (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-3,5,9,21-TETRAHYDROXY-8,8,21-TRIMETHYL-10,14-DIOXO-19-SULFANYL-2,4,6-TRIOXA-18-THIA-11,15-DIAZA-3,5-DIPHOSPHATRICOSAN-23-OIC ACID 3,5-DIOXIDE C27 H46 N7 O19 P3 S2 1 1
1CX (5S)-4,5-DIFLUORO-6-[(2-FLUORO-4-IODOPHENYL)IMINO]-N-(2-HYDROXYETHOXY)CYCLOHEXA-1,3-DIENE-1-CARBOXAMIDE C15 H12 F3 I N2 O3 1 1
1CY 1-(4-CHLOROPHENYL)-6,6-DIMETHYL-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE C11 H14 CL N5 1 4
1CZ (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-3,5,9,21-TETRAHYDROXY-8,8,21-TRIMETHYL-10,14-DIOXO-19-THIOXO-2,4,6-TRIOXA-18-THIA-11,15-DIAZA-3,5-DIPHOSPHATRICOSAN-23-OIC ACID 3,5-DIOXIDE C27 H44 N7 O19 P3 S2 1 1
1D2 CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE C20 H39 N O3 1 1
1D4 CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE C21 H41 N O3 1 1
1DA 1-DEAZA-ADENOSINE C11 H14 N4 O4 1 1
1DB 1-DECANE-SULFONIC-ACID C10 H22 O3 S 2 1
1DF 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID C8 H7 N O6 1 2
1DG (4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE C27 H33 N8 O18 P3 1 1
1DH 5-CHLORO-1,3-THIAZOL-2-AMINE C3 H3 CL N2 S 1 1
1DI (2R)-2-AMINO-3-(2,4-DICHLOROPHENYL)-1-(1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPAN-1-ONE C17 H16 CL2 N2 O 1 1
1DJ (1R)-1-PHENYLPROP-2-YN-1-OL C9 H8 O 1 1
1DM N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE C24 H36 N4 O11 1 1
1DO 1-DODECANOL C12 H26 O 2 3
1DP N1-DEAZA-ADENOSINE-5'-MONOPHOSPHATE C11 H15 N4 O7 P 0 0
1DQ 5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE C4 H3 F3 N2 1 1
1DR 1,10-DIHYDROPYRROLO[2,3-A]CARBAZOLE-3-CARBALDEHYDE C15 H10 N2 O 1 1
1DS 1-O-DECANOYL-BETA-D-TAGATOFURANOSYL BETA-D-ALLOPYRANOSIDE C22 H40 O12 2 1
1DU 2-(1H-PYRAZOL-1-YL)ETHANOL C5 H8 N2 O 1 1
1DV 5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE C5 H5 F3 N2 1 1
1DW 2-BROMO-5-HYDROXYBENZALDEHYDE C7 H5 BR O2 1 1
1DY N-(2-METHOXYPHENYL)-4-{[3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PROPANOYL]AMINO}BENZAMIDE C25 H22 N4 O4 1 1
1E2 (2S)-3-(ACETYLOXY)-2-HYDROXYPROPYL 6-DEOXY-6-SULFO-BETA-D-GLUCOPYRANOSIDE C11 H20 O11 S 0 0
1E4 1-O-[3-(5-CARBOXYPYRIDIN-2-YL)-5-FLUOROPHENYL]-6-O-[4-({[(5-CARBOXYPYRIDIN-2-YL)SULFANYL]ACETYL}AMINO)-2-CHLORO-5-METHOXYPHENYL]-D-MANNITOL C33 H31 CL F N3 O12 S 2 1
1E5 6-[3-(CARBOXYMETHOXY)-5-FLUOROPHENYL]PYRIDINE-3-CARBOXYLIC ACID C14 H10 F N O5 2 1
1E6 6-({2-[(5-CHLORO-4-{[(2S)-2,3-DIHYDROXYPROPYL]OXY}-2-METHOXYPHENYL)AMINO]-2-OXOETHYL}SULFANYL)PYRIDINE-3-CARBOXYLIC ACID C18 H19 CL N2 O7 S 1 1
1E7 6-({2-[(5-CHLORO-2-METHOXYPHENYL)AMINO]-2-OXOETHYL}SULFANYL)PYRIDINE-3-CARBOXYLIC ACID C15 H13 CL N2 O4 S 1 1
1E9 N-(6-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-1,1-DIOXIDO-1,2-BENZOTHIAZOL-3-YL)-4-{[(2R)-4-(DIMETHYLAMINO)-1-(PHENYLSULFANYL)BUTAN-2-YL]AMINO}-3-NITROBENZENESULFONAMIDE C42 H44 CL N7 O6 S3 1 1
1EA 6-FLUORO-2-[2-METHYL-4-PHENOXY-5-(PROPAN-2-YL)PHENYL]QUINOLINE-4-CARBOXYLIC ACID C26 H22 F N O3 0 0
1EC [(5R)-5-AMINO-5-CARBOXY-8-HYDROXYOCTYL](TRIHYDROXY)BORATE(1-) C9 H21 B N O6 -1 1 2
1ED (3S,6S)-3-BENZYL-6-(4-HYDROXYBENZYL)PIPERAZINE-2,5-DIONE C18 H18 N2 O3 0 0
1EE [(5R)-5-AMINO-5-CARBOXY-7-(4-HYDROXYPIPERIDIN-1-YL)HEPTYL](TRIHYDROXY)BORATE(1-) C13 H28 B N2 O6 -1 1 1
1EJ 3-CHLORO-6-[3-(4-FLUOROPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID C17 H9 CL F N3 O2 S2 1 1
1EK {[5-(3-CHLORO-1-BENZOTHIOPHEN-2-YL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID C18 H12 CL N3 O2 S2 1 1
1EL 9-HYDROXY-5,11-DIMETHYL-4,6-DIHYDRO-1H-PYRIDO[4,3-B]CARBAZOL-1-ONE C17 H14 N2 O2 1 1
1EM (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE C26 H50 O5 1 3
1EP (5S)-3-(4-TERT-BUTYLBENZYL)-5-(PROPAN-2-YL)IMIDAZOLIDINE-2,4-DIONE C17 H24 N2 O2 1 1
1ER 3-(3-TERT-BUTYLPHENYL)PYRIDIN-2(1H)-ONE C15 H17 N O 1 1
1ET 6,6'-{[5-(AMINOMETHYL)BENZENE-1,3-DIYL]DIETHANE-2,1-DIYL}BIS(4-METHYLPYRIDIN-2-AMINE) C23 H29 N5 1 1
1EU 1-(4-ACETYL-6-PYRIDIN-3-YL-1H-BENZIMIDAZOL-2-YL)-3-ETHYLUREA C17 H17 N5 O2 1 1
1EV 3,5-BIS[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]BENZONITRILE C23 H25 N5 1 2
1EW 6,6'-{[4-(3-AMINOPROPYL)BENZENE-1,3-DIYL]DIETHANE-2,1-DIYL}BIS(4-METHYLPYRIDIN-2-AMINE) C25 H33 N5 1 1
1EX (11Z,13Z)-HEXADECA-11,13-DIEN-1-OL C16 H30 O 1 1
1EY (11Z,13Z)-HEXADECA-11,13-DIENAL C16 H28 O 1 1
1EZ N-(4-SULFAMOYLPHENYL)-2-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]ACETAMIDE C18 H24 N2 O3 S 1 1
1F0 [(4S,5R)-2-(4-TERT-BUTYL-2-ETHOXYPHENYL)-4,5-BIS(4-CHLOROPHENYL)-4,5-DIMETHYL-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]{4-[3-(METHYLSULFONYL)PROPYL]PIPERAZIN-1-YL}METHANONE C38 H48 CL2 N4 O4 S 1 1
1F1 1H-INDOLE-6-CARBOXYLIC ACID C9 H7 N O2 2 4
1F2 (3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL (2R)-2-(PYRIDIN-3-YL)PYRROLIDINE-1-CARBOXYLATE C41 H64 N4 O11 1 1
1F3 (3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL (2R)-2-[4-(ACETYLAMINO)PHENYL]-2,3-DIHYDRO-1H-PYRROLE-1-CARBOXYLATE C44 H66 N4 O12 1 1
1F4 (3AS,4R,7R,8S,9S,10R,11R,13R,15S,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL (2R)-4,4-DIMETHYL-2-(PYRIDIN-3-YL)PYRROLIDINE-1-CARBOXYLATE C43 H68 N4 O11 1 1
1F6 (3Z)-3-{[(2-METHOXYETHYL)AMINO]METHYLIDENE}-1-METHYL-5-PHENYL-7-(TRIFLUOROMETHYL)-1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE C21 H20 F3 N3 O3 1 1
1F8 2-METHYL-N-(2-SULFANYLETHYL)-1-BENZOFURAN-3-CARBOXAMIDE C12 H13 N O2 S 1 1
1FA [(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]ACETIC ACID C32 H27 F3 N2 O4 S 0 0
1FC 1 1
1FD 1-[4-(TRIFLUOROMETHOXY)PHENYL]METHANAMINE C8 H8 F3 N O 0 0
1FE N-(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-YL)GLYCINAMIDE C9 H10 N4 O2 1 1
1FF 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID C11 H10 N2 O2 1 1
1FG 2-({[2-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-2-OXOETHYL](METHYL)AMINO}METHYL)QUINAZOLIN-4(1H)-ONE C21 H22 N4 O2 3 1
1FH 12-PHENYLHEME C40 H38 FE N4 O4 2 1 1
1FK 1-[7-AMINO-1-(PYRIMIDIN-2-YL)INDOLIZIN-3-YL]ETHANONE C14 H12 N4 O 1 1
1FL 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID C13 H8 F2 O3 2 3
1FM (3S,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE C19 H22 O7 2 2
1FN 1-(4-FLUOROPHENYL)-N-[3-FLUORO-4-(1H-PYRROLO[2,3-B]PYRIDIN-4-YLOXY)PHENYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE C25 H16 F2 N4 O3 1 1
1FP PIPERAZINE-1-CARBALDEHYDE C5 H10 N2 O 1 1
1FR 3-[3-CHLORO-5-(5-{[(1S)-1-PHENYLETHYL]AMINO}ISOXAZOLO[5,4-C]PYRIDIN-3-YL)PHENYL]PROPAN-1-OL C23 H22 CL N3 O2 1 1
1FT 4-S-(6-O-PHOSPHONO-ALPHA-L-IDOPYRANOSYL)-4-THIO-BETA-D-GLUCOPYRANOSE C12 H23 O13 P S 1 1
1FV N-{3-[(5-CYCLOPROPYL-2-{[3-(MORPHOLIN-4-YLMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PROPYL}CYCLOBUTANECARBOXAMIDE C26 H36 N6 O2 1 2
1FW (2S)-3-CYCLOHEXYL-2-(6-FLUORO-4-OXOQUINAZOLIN-3(4H)-YL)-N-(1,3-THIAZOL-2-YL)PROPANAMIDE C20 H21 F N4 O2 S 1 1
1FX (2S)-3-CYCLOHEXYL-2-(6-FLUORO-2,4-DIOXO-1,4-DIHYDROQUINAZOLIN-3(2H)-YL)-N-(1,3-THIAZOL-2-YL)PROPANAMIDE C20 H21 F N4 O3 S 1 1
1FY (2S)-3-CYCLOHEXYL-2-[4-(METHYLSULFONYL)-2-OXOPIPERAZIN-1-YL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE C17 H26 N4 O4 S2 1 1
1FZ 5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]THYMIDINE C10 H18 N3 O13 P3 1 1
1G0 CIS-3-[8-AMINO-1-(4-PHENOXYPHENYL)IMIDAZO[1,5-A]PYRAZIN-3-YL]CYCLOBUTANOL C22 H20 N4 O2 1 1
1G1 N3PHE-LEU-LEU-PHE(4-NH2CH2)-METHYL VINYL SULFONE, BOUND FORM C33 H49 N7 O5 S 1 1
1G4 (3S,6S)-3,6-BIS(4-HYDROXYBENZYL)PIPERAZIN-2-ONE C18 H20 N2 O3 0 0
1G5 HMB-VAL-SER-PHE(4-NH2CH2)-METHYL VINYL SULFONE, BOUND FORM C28 H40 N4 O7 S 1 1
1G6 N3PHE-PHE(4-NH2CH2)-LEU-PHE(4-NH2CH2)-METHYL VINYL SULFONE, BOUND FORM C37 H50 N8 O5 S 1 1
1G7 (3S,6S)-3-(3,4-DIHYDROXYBENZYL)-6-(4-HYDROXYBENZYL)PIPERAZINE-2,5-DIONE C18 H18 N2 O5 0 0
1G9 (3S,6S)-3-(4-HYDROXYBENZYL)-6-METHYLPIPERAZINE-2,5-DIONE C12 H14 N2 O3 0 0
1GA GERANILINE C16 H21 N 1 1
1GB (3S,6S)-3-(4-HYDROXYBENZYL)-6-(1H-INDOL-3-YLMETHYL)PIPERAZINE-2,5-DIONE C20 H19 N3 O3 0 0
1GC 2'-DEOXY-5'-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]GUANOSINE C11 H18 N5 O12 P3 2 3
1GE 2'-[(6R,6AR,11BR)-2-CARBAMIMIDOYL-6,6A,7,11B-TETRAHYDRO-5H-INDENO[2,1-C]QUINOLIN-6-YL]-5'-HYDROXY-4'-METHOXYBIPHENYL-4-CARBOXYLIC ACID C31 H27 N3 O4 1 1
1GG (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE C24 H31 CL N6 O2 1 1
1GH 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE C23 H21 N5 O3 1 2
1GJ 4-[2-BENZYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL C21 H15 F3 N2 O2 1 1
1GK N-(FURAN-2-YLMETHYL)-4-[(2-METHYLPHENYL)CARBONYL]-1H-PYRROLE-2-CARBOXAMIDE C18 H16 N2 O3 1 1
1GL 4-O-METHYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE C7 H14 O4 0 0
1GM 4-[2-ETHYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL C16 H13 F3 N2 O2 1 1
1GN 2-DEOXY-2-AMINOGALACTOSE C6 H13 N O5 1 1
1GP SN-GLYCEROL-1-PHOSPHATE C3 H9 O6 P 6 7
1GQ 4-[1-BUTYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL C18 H17 F3 N2 O2 1 1
1GR 4-[1-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL C18 H17 F3 N2 O2 1 1
1GS 4-[2-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL C18 H17 F3 N2 O2 1 1
1GT 4-[1-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL C18 H15 F3 N2 O2 1 1
1GU 4-[2-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE-1,3-DIOL C18 H15 F3 N2 O2 1 1
1GV 4,4'-THIENE-2,5-DIYLBIS(3-METHYLPHENOL) C18 H16 O2 S 1 1
1GW 5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DIPHOSPHATE-ALPHA-D-GALACTOSE C20 H26 N2 O18 P2 S 1 1
1GZ METHYLTHIOACRYLOYL-COA C25 H40 N7 O17 P3 S2 1 1
1H1 ETHYL (3R)-4-CYANO-3-HYDROXYBUTANOATE C7 H11 N O3 1 1
1H2 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-[(R)-HYDROXY(PHENYL)METHYL]PHENOL C18 H17 N O3 1 1
1H3 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-[(S)-HYDROXY(PHENYL)METHYL]PHENOL C18 H17 N O3 1 1
1H4 N-{3-[(5-CYCLOPROPYL-2-{[3-(2-OXOPYRROLIDIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PROPYL}CYCLOBUTANECARBOXAMIDE C25 H32 N6 O2 1 1
1H5 N-{3-[(4S,5R)-2-AMINO-5-FLUORO-4-(FLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C18 H14 F3 N5 O2 1 1
1H6 N-{3-[(4R,5S)-2-AMINO-5-FLUORO-4-METHYL-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C18 H15 F2 N5 O2 1 1
1H7 N-{3-[(4R,5R)-2-AMINO-5-FLUORO-4-METHYL-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C18 H15 F2 N5 O2 1 1
1HA 1-HYDROXY-2-NAPHTHOYL-COA C32 H42 N7 O18 P3 S 1 2
1HB (4S)-4-AMINO-5-HYDROXY-N,N-DIMETHYLPENTANAMIDE C7 H16 N2 O2 0 0
1HD N-[(2S)-2-AMINO-3-HYDROXYPROPYL]ACETAMIDE C5 H12 N2 O2 0 0
1HE 3-METHYLMERCAPTOPROPIONATE-COA (MMPA-COA) C25 H42 N7 O17 P3 S2 1 1
1HF (3E)-3-{(2Z)-[(5Z)-5-(FURAN-2-YLMETHYLIDENE)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]HYDRAZINYLIDENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE-5-SULFONIC ACID C16 H10 N4 O6 S2 1 1
1HG N-{3-[(4R,5R,6S)-2-AMINO-5-FLUORO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C19 H14 F5 N5 O2 1 1
1HH N-{3-[(4R,5R,6R)-2-AMINO-5-FLUORO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C19 H14 F5 N5 O2 1 1
1HJ N-{3-[(4S,6R)-2-AMINO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C19 H15 F4 N5 O2 1 1
1HK 4-[2-(2,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)ETHYL]-2-METHOXYPHENOL C19 H18 N2 O2 1 1
1HL N-{3-[(4S,6S)-2-AMINO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C19 H15 F4 N5 O2 1 1
1HM N-{3-[(4S,6S)-2-AMINO-4-(FLUOROMETHYL)-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C19 H14 F5 N5 O2 1 1
1HN 1-HYDROXYNAPHTHALENE-2-CARBOXYLIC ACID C11 H8 O3 1 1
1HO N-{3-[(4S)-2-AMINO-5,5-DIFLUORO-4-(FLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C18 H13 F4 N5 O2 1 1
1HP 4-(2-AMINO-1-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)PHENOL C13 H12 N4 O 1 1
1HQ N-{3-[(4S)-2-AMINO-4-(DIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE C18 H14 F3 N5 O2 1 1
1HR (1S,2S)-2-(3,4-DICHLOROBENZOYL)CYCLOPROPANECARBOXYLIC ACID C11 H8 CL2 O3 0 0
1HS 2-{[(2S)-2-HYDROXYPROPYL]SULFANYL}ETHANESULFONIC ACID C5 H12 O4 S2 1 1
1HT (3S,3AR,4S,6S,6AR,7S,8S,9BS)-6-(ACETYLOXY)-3A,4-BIS(BUTANOYLOXY)-3-HYDROXY-3,6,9-TRIMETHYL-8-{[(2E)-2-METHYLBUT-2-ENOYL]OXY}-2-OXO-2,3,3A,4,5,6,6A,7,8,9B-DECAHYDROAZULENO[4,5-B]FURAN-7-YL OCTANOATE C38 H56 O13 1 1
1HW 1-{(3S,3AS)-3-[3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL]-8-METHOXY-3,3A,4,5-TETRAHYDRO-2H-BENZO[G]INDAZOL-2-YL}-2-HYDROXYETHANONE C21 H18 F4 N2 O4 1 1
1HX N-[(1S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHYL]-5-CYANO-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE C15 H13 CL F N3 O 1 1
1HZ 5'-DEOXY-5'-({[2-(2,3-DIHYDROXYPHENYL)ETHYL]SULFONYL}AMINO)ADENOSINE C18 H22 N6 O7 S 1 1
1IG N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE C20 H26 N6 O2 S 1 1
1IN 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE C35 H51 N5 O5 1 2
1IP N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE C6 H11 N2 O7 P 1 1
1IQ 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID C17 H17 N3 O3 2 1
1IT DIBENZOFURAN C12 H8 O 1 1
1J1 N~6~-[(2R)-3,4-DIHYDRO-2H-PYRROL-2-YLCARBONYL]-L-LYSINE C11 H19 N3 O3 0 0
1J3 4-{[(7R)-9-CYCLOPENTYL-7-ETHENYL-7-FLUORO-5-METHYL-6-OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-2-YL]AMINO}-3-METHOXY-N-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE C28 H37 F N8 O3 1 1
1J4 4-[(9-CYCLOPENTYL-7,7-DIFLUORO-5-METHYL-6-OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-2-YL)AMINO]-2-FLUORO-5-METHOXY-N-(1-METHYLPIPERIDIN-4-YL)BENZAMIDE C27 H34 F3 N7 O3 1 1
1J5 TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE C17 H19 N5 O 1 2
1J6 (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE C18 H21 N5 O 1 1
1J9 (2S)-2-{[1-(2-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY}-N-(5-CHLOROPYRIDIN-2-YL)-3-(2-HYDROXYETHOXY)PROPANAMIDE C21 H18 CL2 N6 O4 1 1
1JB [[(2R,3S,5R)-5-[5-METHYL-2,4-BIS(OXIDANYLIDENE)PYRIMIDIN-1-YL]-3-OXIDANYL-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3R,4S,5R,6R)-6-METHYL-3,4,5-TRIS(OXIDANYL)OXAN-2-YL] HYDROGEN PHOSPHATE C16 H26 N2 O15 P2 1 1
1JD (2S)-2-{[1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]OXY}-N-(5-METHYLPYRIDIN-2-YL)-3-(PROPAN-2-YLOXY)PROPANAMIDE C22 H22 CL N7 O3 1 1
1JE [(1R)-5,8-DICHLORO-1-PROPYL-1,3,4,9-TETRAHYDROPYRANO[3,4-B]INDOL-1-YL]ACETIC ACID C16 H17 CL2 N O3 0 0
1JF 4-CHLORO-2-{[(2,4,5-TRICHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID C13 H7 CL4 N O4 S 0 0
1JG 2-{[(5-BROMOTHIOPHEN-2-YL)SULFONYL]AMINO}-4-CHLOROBENZOIC ACID C11 H7 BR CL N O4 S2 0 0
1JH 2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-5-PHENOXYBENZOIC ACID C20 H17 N O5 S 0 0
1JJ [(1S)-1-HYDROXYPROPYL]PHOSPHONIC ACID C3 H9 O4 P 1 1
1JL 2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-4-PHENOXYBENZOIC ACID C20 H17 N O5 S 0 0
1JR (4S)-3-PHENYL-4-(PYRIDIN-3-YL)-4,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-6(2H)-ONE C16 H12 N4 O 1 1
1JS N~1~-HYDROXY-N~5~-(3-HYDROXYPROPYL)-N~2~-[4-(PHENYLETHYNYL)BENZOYL]-L-GLUTAMAMIDE C23 H25 N3 O5 1 1
1JX (2R)-2-METHYL-1,4-DIHYDROPYRIDO[2,3-B]PYRAZIN-3(2H)-ONE C8 H9 N3 O 1 1
1JZ 1-[4-(HYDROXYMETHYL)PHENYL]GUANIDINE C8 H11 N3 O 1 1
1K3 5-(4-METHOXYPHENYL)-N-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE C24 H26 N6 O 1 1
1K4 N-DECANOYL-L-HOMOSERINE C14 H27 N O4 1 1
1K5 (9-OXOACRIDIN-10(9H)-YL)ACETIC ACID C15 H11 N O3 0 0
1K9 1-[5-(CYCLOPROPYLSULFAMOYL)-2-THIOPHEN-3-YL-PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA C21 H18 F3 N3 O3 S2 1 1
1KA (2-HYDROXYETHOXY)ACETALDEHYDE C4 H8 O3 2 3
1KJ N~5~-(N-METHOXYCARBAMIMIDOYL)-L-ORNITHINE C7 H16 N4 O3 1 1
1KO 2-(4-CHLOROPHENYL)-8-[(3S)-PIPERIDIN-3-YLAMINO]IMIDAZO[1,2-C]PYRIMIDINE-5-CARBOXAMIDE C18 H19 CL N6 O 0 0
1KP (3E)-6,7-DICHLORO-3-(HYDROXYIMINO)-1,3-DIHYDRO-2H-INDOL-2-ONE C8 H4 CL2 N2 O2 2 1
1KR BENZYL [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-FORMYL-2-HYDROXY-4-METHYLHEXANOYL]AMINO}CYCLOPROPYL]-4-PHENYLBUTAN-2-YL}AMINO)-1-OXOPROPAN-2-YL]CARBAMATE C32 H43 N3 O6 0 0
1KS 4-FLUORO-N-METHYL-N-{1-[4-(1-METHYL-1H-PYRAZOL-5-YL)PHTHALAZIN-1-YL]PIPERIDIN-4-YL}-2-(TRIFLUOROMETHYL)BENZAMIDE C26 H24 F4 N6 O 1 1
1KX {(1S,4R)-4-[2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]CYCLOPENT-2-EN-1-YL}METHANOL C14 H18 N6 O 3 3
1L2 (2S)-3-(ALPHA-D-GALACTOPYRANOSYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL (9Z,12Z)-OCTADECA-9,12-DIENOATE C45 H80 O10 0 0
1L4 N-[(2R)-3-(3-CYANOPHENYL)-1-OXO-1-(PYRROLIDIN-1-YL)PROPAN-2-YL]-8-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE-6-SULFONAMIDE C23 H25 F N4 O3 S 1 1
1L5 [(1E)-1-NITROPROP-1-EN-2-YL]BENZENE C9 H9 N O2 1 1
1L6 1-(2-HYDROXYETHYL)-3-(2-METHYLBUTAN-2-YL)-5-[4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENYL]-6,7-DIHYDROPYRAZOLO[4,3-E][1,4]DIAZEPIN-8(1H)-ONE C23 H28 N6 O2 1 1
1L7 (2E)-N-BENZYL-2-CYANO-3-(PYRIDIN-4-YL)PROP-2-ENAMIDE C16 H13 N3 O 1 1
1L8 8-FLUORO-N-{(2R)-1-OXO-1-(PYRROLIDIN-1-YL)-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPAN-2-YL}-1,2,3,4-TETRAHYDROISOQUINOLINE-6-SULFONAMIDE C23 H25 F4 N3 O3 S 1 1
1LB (2S)-2-CYANO-3-(1H-INDAZOL-5-YL)PROPANAMIDE C11 H10 N4 O 1 1
1LC (2R)-2-CYANO-3-[3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLCARBONYL)PHENYL]PROPANAMIDE C18 H14 N4 O2 1 1
1LE (2S)-2-CYANO-N-(1-HYDROXY-2-METHYLPROPAN-2-YL)-3-[3-(3,4,5-TRIMETHOXYPHENYL)-1H-INDAZOL-5-YL]PROPANAMIDE C24 H28 N4 O5 1 1
1LF 1-[4-METHYL-6-(METHYLAMINO)-1,3,5-TRIAZIN-2-YL]-N-[2-(TRIFLUOROMETHYL)BENZYL]PIPERIDINE-4-CARBOXAMIDE C19 H23 F3 N6 O 1 1
1LG 2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE C20 H19 CL2 N3 O4 S2 0 0
1LH (2S)-4-[(2-AMMONIOETHYL)AMINO]-N-[(1R)-1-(4-CHLORO-2-FLUORO-3-PHENOXYPHENYL)PROPYL]-4-OXOBUTAN-2-AMINIUM C21 H29 CL F N3 O2 2 1 1
1LI N-[(1S,2R)-3-{[1-(3-TERT-BUTYLPHENYL)CYCLOHEXYL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE C28 H38 F2 N2 O2 1 1
1LJ 1-[(6-AMINOPYRIDIN-3-YL)METHYL]-3-[4-(PHENYLSULFONYL)PHENYL]UREA C19 H18 N4 O3 S 1 1
1LL THIODITALOSIDE C12 H22 O10 S 1 1
1LM QUINOLIN-4-AMINE C9 H8 N2 1 1
1LN 2-(2-AMINOPYRIDIN-1-IUM-1-YL)ETHANOL C7 H11 N2 O 1 1 1
1LQ QUINAZOLIN-4-AMINE C8 H7 N3 1 1
1LS 1-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]-3-(PYRIDIN-3-YLMETHYL)THIOUREA C18 H22 N4 O2 S2 0 0
1LU 2 1
1LW 5,6,7,8-TETRAHYDROTHIENO[2,3-B]QUINOLIN-4-AMINE C11 H12 N2 S 1 1
1LX IMIDAZO[1,2-A]PYRIDIN-5-AMINE C7 H7 N3 1 1
1LY IMIDAZO[1,2-A]PYRIDIN-6-AMINE C7 H7 N3 1 1
1LZ 1H-PYRROLO[3,2-B]PYRIDIN-6-YLMETHANOL C8 H8 N2 O 1 1
1M0 1-BENZYL-2-(4-{[(2R)-2-(2-PHENYL-1H-BENZIMIDAZOL-1-YL)PENT-4-EN-1-YL]OXY}PHENYL)-1H-BENZIMIDAZOLE C38 H32 N4 O 1 1
1M1 (6R)-6-(PYRIDIN-2-YL)-5,6-DIHYDROBENZIMIDAZO[1,2-C]QUINAZOLINE C19 H14 N4 1 1
1M2 N-METHYL-1H-BENZIMIDAZOL-2-AMINE C8 H9 N3 1 1
1M3 N-TERT-BUTYL-3-[(5-METHYL-2-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]BENZENESULFONAMIDE C26 H35 N7 O2 S 1 1
1M4 (4R)-2'-AMINO-6-BROMO-1',2,2-TRIMETHYL-2,3-DIHYDROSPIRO[CHROMENE-4,4'-IMIDAZOL]-5'(1'H)-ONE C14 H16 BR N3 O2 1 1
1M5 (4R)-2'-AMINO-6-(3-CHLOROPHENYL)-1',2,2-TRIMETHYL-2,3-DIHYDROSPIRO[CHROMENE-4,4'-IMIDAZOL]-5'(1'H)-ONE C20 H20 CL N3 O2 1 1
1M6 3-[(4R)-2'-AMINO-1',2,2-TRIMETHYL-5'-OXO-1',2,3,5'-TETRAHYDROSPIRO[CHROMENE-4,4'-IMIDAZOL]-6-YL]BENZONITRILE C21 H20 N4 O2 1 1
1M7 (4R)-2-AMINO-1,3',3'-TRIMETHYL-7'-(PYRIMIDIN-5-YL)-3',4'-DIHYDRO-2'H-SPIRO[IMIDAZOLE-4,1'-NAPHTHALEN]-5(1H)-ONE C19 H21 N5 O 1 1
1M8 5-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL]THIOPHENE-2-CARBOXAMIDE C22 H19 CL N2 O2 S 1 1
1M9 2-{[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL](PROPAN-2-YL)AMINO}-5-[2-(TRIFLUOROMETHYL)PHENOXY]BENZOIC ACID C25 H28 F3 N O4 1 1
1MA 6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE C11 H16 N5 O7 P 0 0
1MB 1-(2,4-DIFLUOROBENZYL)-6-{[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY}QUINAZOLIN-4(1H)-ONE C21 H12 F5 N3 O2 1 1
1MC 1-METHYLCYTOSINE C5 H7 N3 O 1 1
1MG 1N-METHYLGUANOSINE-5'-MONOPHOSPHATE C11 H16 N5 O8 P 2 10
1MH 3-PYRIDIN-3-YL-L-ALANINE C8 H10 N2 O2 0 0
1MJ 1H-PYRROLO[3,2-B]PYRIDINE-6-CARBALDEHYDE C8 H6 N2 O 1 1
1MK CHLORIDO(ETA-6-P-CYMENE)(N-FLUOROPHENYL-2-PYRIDINECARBOTHIOAMIDE)OSMIUM(II) C22 H23 CL F N2 OS S 0 0
1MM METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE C14 H15 N5 O6 S 2 2
1MN (2S,5R,6S)-2-BENZYL-5,6-BIS(4-BROMOPHENYL)-4-METHYLMORPHOLIN-3-ONE C24 H21 BR2 N O2 1 1
1MO (2S,5R,6S)-2-BENZYL-5,6-BIS(4-CHLOROPHENYL)-4-METHYLMORPHOLIN-3-ONE C24 H21 CL2 N O2 1 1
1MQ (2R,3E)-2-[(2S,3R,6S)-2,3-BIS(4-CHLOROPHENYL)-6-(4-FLUOROBENZYL)-5-OXOMORPHOLIN-4-YL]PENT-3-ENOIC ACID C28 H24 CL2 F N O4 1 1
1MR N-METHYLANILINE C7 H9 N 1 1
1MS N-[(4-METHYLPYRIMIDIN-2-YL)CARBAMOYL]-2-NITROBENZENESULFONAMIDE C12 H11 N5 O5 S 1 1
1MT (2'S,3R,4'S,5'R)-N-(2-AMINOETHYL)-6-CHLORO-4'-(3-CHLORO-2-FLUOROPHENYL)-2'-(2,2-DIMETHYLPROPYL)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3'-PYRROLIDINE]-5'-CARBOXAMIDE C25 H29 CL2 F N4 O2 1 1
1MY {(2S,5R,6S)-6-(3-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-4-[(2S)-1-HYDROXYBUTAN-2-YL]-3-OXOMORPHOLIN-2-YL}ACETIC ACID C22 H23 CL2 N O5 1 1
1MZ 1-METHYLIMIDAZOLE C4 H7 N2 1 4 4
1N0 1,1'-HEXANE-1,6-DIYLDIPYRROLIDINE-2,5-DIONE C14 H20 N2 O4 2 2
1N1 N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE C22 H26 CL N7 O2 S 2 10
1N3 1-(AMINOMETHYL)-N-(3-{[6-BROMO-2-(4-METHOXYPHENYL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL]AMINO}PROPYL)CYCLOPROPANECARBOXAMIDE C21 H25 BR N6 O2 1 1
1N4 (2R)-AMINO(1-HYDROXY-4-PROPYL-1H-PYRAZOL-5-YL)ETHANOIC ACID C8 H13 N3 O3 1 2
1N5 (2R,4S)-2,4,7-TRIHYDROXYHEPTANOIC ACID C7 H14 O5 0 0
1N7 CHAPSO C32 H59 N2 O8 S 1 2 5
1N8 N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE C30 H31 F3 N6 O2 1 1
1N9 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE C37 H46 N6 O7 1 1
1NB 2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL C10 H16 O2 1 1
1ND 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE C19 H20 F3 N3 O 0 0
1NE N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE C17 H18 F3 N3 O 1 1
1NF N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE C19 H19 F4 N3 O 1 1
1NG 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE C20 H22 F3 N3 O 0 0
1NH (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE C24 H30 O9 P2 2 1
1NJ 2-{2-[(4-CARBAMIMIDOYLPHENYL)CARBAMOYL]-6-METHOXYPYRIDIN-3-YL}-5-{[(2S)-1-HYDROXY-3,3-DIMETHYLBUTAN-2-YL]CARBAMOYL}BENZOIC ACID C28 H31 N5 O6 1 1
1NK 2-{2-[(1-AMINOISOQUINOLIN-6-YL)CARBAMOYL]-6-METHOXYPYRIDIN-3-YL}-5-{[(2S)-1-HYDROXY-3,3-DIMETHYLBUTAN-2-YL]CARBAMOYL}BENZOIC ACID C30 H31 N5 O6 1 1
1NL 2-{2-[(3-CARBAMOYLPHENYL)CARBAMOYL]-6-METHOXYPYRIDIN-3-YL}-5-{[(2S)-1-HYDROXY-3,3-DIMETHYLBUTAN-2-YL]CARBAMOYL}BENZOIC ACID C28 H30 N4 O7 1 1
1NP 1-NAPHTHOL C10 H8 O 2 2
1NQ N-{2-[1-(6-CARBAMOYLTHIENO[3,2-D]PYRIMIDIN-4-YL)PIPERIDIN-4-YL]ETHYL}-N'-ETHYLTHIOPHENE-2,5-DICARBOXAMIDE C22 H26 N6 O3 S2 1 1
1NR 4-(4-{2-[(2,2-DIMETHYLPROPANOYL)AMINO]ETHYL}PIPERIDIN-1-YL)THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE C19 H27 N5 O2 S 1 1
1NS 4-(4-{2-[(METHYLSULFONYL)AMINO]ETHYL}PIPERIDIN-1-YL)THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE C15 H21 N5 O3 S2 1 1
1NT (2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID C8 H18 O15 P2 1 2
1NU 1-(2,4,6-TRIFLUOROBENZYL)-6-[2-(TRIFLUOROMETHYL)PHENOXY]QUINAZOLIN-4(1H)-ONE C22 H12 F6 N2 O2 1 1
1NV 3-{[4-OXO-1-(2,4,6-TRIFLUOROBENZYL)-1,4-DIHYDROQUINAZOLIN-6-YL]OXY}-2-(TRIFLUOROMETHYL)BENZAMIDE C23 H13 F6 N3 O3 1 1
1NW 3-{[4-OXO-1-(2,4,6-TRIFLUOROBENZYL)-1,4-DIHYDROQUINAZOLIN-6-YL]OXY}-N-(PYRIDIN-3-YL)-2-(TRIFLUOROMETHYL)BENZAMIDE C28 H16 F6 N4 O3 1 1
1NZ 6-[3-([1,3]OXAZOLO[4,5-B]PYRIDIN-2-YL)-2-(TRIFLUOROMETHYL)PHENOXY]-1-(2,4,6-TRIFLUOROBENZYL)QUINAZOLIN-4(1H)-ONE C28 H14 F6 N4 O3 1 1
1O0 6-[3-(PYRIDIN-2-YL)-2-(TRIFLUOROMETHYL)PHENOXY]-1-(2,4,6-TRIFLUOROBENZYL)QUINAZOLIN-4(1H)-ONE C27 H15 F6 N3 O2 1 1
1O2 (2S)-3-(ALPHA-D-GALACTOPYRANOSYLOXY)-2-(HEXADECANOYLOXY)PROPYL (9Z)-OCTADEC-9-ENOATE C43 H80 O10 0 0
1O5 5-[5-ETHOXY-6-(1-METHYL-1H-PYRAZOL-4-YL)-1H-INDAZOL-3-YL]-2-METHYLBENZENESULFONAMIDE C20 H21 N5 O3 S 1 1
1OA N-(4-FLUOROPHENYL)-7-HYDROXY-5-(PIPERIDIN-4-YL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE C18 H18 F N5 O2 1 1
1OB 5-(4-CYANOBENZYL)-N-(4-FLUOROPHENYL)-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE C21 H14 F N5 O2 1 1
1OC N-[5-(2-FLUOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-5-({[(3R,4R)-3-FLUOROPIPERIDIN-4-YL]METHYL}AMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE C26 H24 F2 N8 O 1 1
1OD (4S,5R)-N,N-BIS{3-[(2,3-DIHYDROXYBENZOYL)AMINO]PROPYL}-2-(2,3-DIHYDROXYPHENYL)-5-METHYL-4,5-DIHYDRO-1,3-OXAZOLE-4-CARBOXAMIDE C31 H34 N4 O10 1 1
1OH 4-(1-METHYL-1-PHENYLETHYL)PHENOL C15 H16 O 1 1
1OJ (2R)-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-2-(ISOQUINOLIN-6-YLAMINO)-N-[(3-SULFAMOYLPHENYL)SULFONYL]ETHANAMIDE C28 H30 N4 O7 S2 1 1
1OK (2R)-2-[(1-AMINOISOQUINOLIN-6-YL)AMINO]-2-[3-ETHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(PHENYLSULFONYL)ETHANAMIDE C28 H30 N4 O5 S 1 1
1OL 1 4
1OP O-(5-HYDROXYPENTYL)-L-TYROSINE C14 H21 N O4 0 0
1OS [(R)-AMINO(4-CARBAMIMIDOYLPHENYL)METHYL]PHOSPHONIC ACID C8 H12 N3 O3 P 1 1
1OT {(R)-AMINO[4-(1H-PYRAZOL-1-YL)PHENYL]METHYL}PHOSPHONIC ACID C10 H12 N3 O3 P 2 2
1OU [(R)-AMINO(4-CARBAMIMIDAMIDOPHENYL)METHYL]PHOSPHONIC ACID C8 H13 N4 O3 P 1 1
1OV [(1R)-1-AMINO-4-CARBAMIMIDAMIDOBUTYL]PHOSPHONIC ACID C5 H15 N4 O3 P 1 1
1OX 2-(1H-BENZIMIDAZOL-1-YLMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE C16 H12 N4 O 0 0
1OY (3S,4R,5S)-3-(3-CHLORO-2-FLUOROPHENYL)-4-(4-CHLORO-2-FLUOROPHENYL)-4-CYANO-N-[(3S)-3,4-DIHYDROXYBUTYL]-5-(2,2-DIMETHYLPROPYL)-D-PROLINAMIDE C27 H31 CL2 F2 N3 O3 1 1
1P1 (22R,51R)-22,51-DIAMINO-5,11,17,28,34,40,46,57-OCTAMETHYL-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,61,64,65-DOCOSAAZANONACYCLO[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]HEXAHEXACONTA-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-HEXADECAENE-3,9,15,21,26,32,38,44,50,55-DECONE C52 H60 N24 O10 0 0
1P2 (23R,52R)-23,52-DIAMINO-5,11,17,28,34,40,46,57-OCTAMETHYL-2,5,8,11,14,17,20,25,28,31,34,37,40,43,46,49,54,57,60,64-ICOSAAZANONACYCLO[54.2.1.1~4,7~.1~10,13~.1~16,19~.1~27,30~.1~33,36~.1~39,42~.1~45,48~]HEXAHEXACONTA-1(58),4(66),6,10(65),12,16(64),18,27(63),29,33(62),35,39(61),41,45(60),47,56(59)-HEXADECAENE-3,9,15,21,26,32,38,44,50,55-DECONE C54 H62 N22 O10 0 0
1P3 (3R)-1-ACETYL-3-METHYLPIPERIDINE C8 H15 N O 1 1
1P5 (3S)-1-[6-(2-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-3-YL)PYRIMIDIN-4-YL]-N,N-DIETHYLPIPERIDINE-3-CARBOXAMIDE C20 H26 N8 O 1 1
1P6 3-(6-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}PYRIMIDIN-4-YL)PYRAZOLO[1,5-A]PYRIMIDIN-2-AMINE C18 H16 F N7 1 1
1P7 6-CHLORO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE C8 H6 CL N O 1 1
1P8 6-BROMO-1,3-DIHYDRO-2H-INDOL-2-ONE C8 H6 BR N O 1 1
1P9 (3S)-3-{3-[(6-BROMO-2-OXO-2,3-DIHYDRO-1H-INDOL-4-YL)METHYL]-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL}HEXANOIC ACID C22 H22 BR N3 O4 1 1
1PB 1,4-DIPHENYL-2-BUTENE C16 H16 1 1
1PC 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE C17 H25 N 1 1
1PD 2-({3-[5-HYDROXY-2-(3-METHYLBUTYL)-3-OXO-6-(1,3-THIAZOL-5-YL)-2,3-DIHYDROPYRIDAZIN-4-YL]-1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE C21 H22 N6 O6 S2 1 1
1PE PENTAETHYLENE GLYCOL C10 H22 O6 158 243
1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL C11 H24 O6 20 38
1PJ 1-(4-METHOXYPHENYL)CYCLOPROPANECARBOXYLIC ACID C11 H12 O3 0 0
1PK 1H-PERIMIDIN-2-AMINE C11 H9 N3 1 1
1PL (1S,3AS,5AR,8AS)-1,7,7-TRIMETHYL-1,2,3,3A,5A,6,7,8-OCTAHYDROCYCLOPENTA[C]PENTALENE-4-CARBOXYLIC ACID C15 H22 O2 1 2
1PM METHYL (3S)-3-{2-[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]-2-OXOETHYL}-4-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]PIPERAZINE-1-CARBOXYLATE C23 H25 N7 O5 1 1
1PN PROP-2-EN-1-YL (2S)-2-[(2S,3R)-3-(ACETYLOXY)-1-OXOBUTAN-2-YL]-2,3-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLATE C13 H17 N O5 S 1 1
1PP 1-(3-TERT-BUTYL-1-PHENYL-1H-PYRAZOL-5-YL)-3-(2,3-DICHLOROPHENYL)UREA C20 H20 CL2 N4 O 1 1
1PQ (4S)-N~4~-(6-METHOXYQUINOLIN-8-YL)PENTANE-1,4-DIAMINE C15 H21 N3 O 1 1
1PR PHOSPHORIC ACID MONO-[5-({[5-CARBAMOYL-3-(5-PHOSPHONOOXY-5-DEOXY-RIBOFURANOSYL)- 3H-IMIDAZOL-4-YLAMINO]-METHYL}-AMINO)-2,3,4-TRIHYDROXY-PENTYL] ESTER C15 H29 N5 O15 P2 1 2
1PS 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE C8 H11 N O3 S 6 6
1PT CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) C6 H14 N2 PT 2 0 0
1PU 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA C17 H16 N4 O2 1 2
1PV [4-({[5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-3-(METHYLCARBAMOYL)-1-BENZOFURAN-6-YL](METHYLSULFONYL)AMINO}METHYL)-2-FLUOROPHENYL]BORONIC ACID C27 H25 B F2 N2 O6 S 1 4
1PW (2S,3R,4E)-2-(ACETYLAMINO)-3-HYDROXYOCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE C20 H40 N O6 P 1 1
1PX (2S,3R,4E)-2-(HEXADECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE C34 H68 N O6 P 1 1
1PZ (2S,3R,4E)-2-(DODECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE C30 H60 N O6 P 1 1
1Q0 (2S,3R,4Z)-3-HYDROXY-2-[(9E)-OCTADEC-9-ENOYLAMINO]OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE C36 H70 N O6 P 1 1
1Q5 3,6-DIMETHYL-N-(PENTAN-3-YL)-2-(2,4,6-TRIMETHYLPHENOXY)PYRIDIN-4-AMINE C21 H30 N2 O 1 1
1Q8 N-(HYDROXYMETHYL)BENZAMIDE C8 H9 N O2 0 0
1Q9 N-(2-ETHOXY-3,5-DIMETHYLBENZYL)-1H-TETRAZOL-5-AMINE C12 H17 N5 O 1 3
1QA (2S)-({[2-(5-CYANO-3-HYDROXYPYRIDIN-2-YL)-1,3-THIAZOL-4-YL]ACETYL}AMINO)(PHENYL)ETHANOIC ACID C19 H14 N4 O4 S 1 1
1QB N-(4,7-DIHYDRO-1H-INDEN-6-YL)ACETAMIDE C11 H13 N O 0 0
1QP ETHYL PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE C10 H10 N2 O2 1 1
1QQ (3S)-3-METHYL-2-OXOPENTANOIC ACID C6 H10 O3 0 0
1QR N-[4-(PIPERIDIN-1-YLSULFONYL)BENZYL]-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXAMIDE C20 H22 N4 O3 S 1 1
1QS N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2-A]PYRIDINE-6-CARBOXAMIDE C21 H15 F2 N3 O3 S 1 1
1QT (3S)-3-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1'-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-4-AZABICYCLO[11.3.1]HEPTADECA-1(17),13,15-TRIEN-5-ONE C32 H44 N2 O3 1 1
1QU 1-CYCLOPENTYL-N-[(2S,3R)-3-HYDROXY-1-PHENYL-4-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}BUTAN-2-YL]-6-OXO-5-(2-OXOPYRROLIDIN-1-YL)-1,6-DIHYDROPYRIDINE-3-CARBOXAMIDE C33 H37 F3 N4 O4 1 1
1QV 4,5,6,7-TETRAFLUORO-1,3-BENZOTHIAZOLE-2-SULFONAMIDE C7 H2 F4 N2 O2 S2 1 1
1R4 L-GAMMA-GLUTAMYL-S-[2-(4-NITROPHENYL)-2-OXOETHYL]-L-CYSTEINYLGLYCINE C18 H22 N4 O9 S 0 0
1R5 7-(4-FLUOROPHENYL)-3-HYDROXYQUINOLIN-2(1H)-ONE C15 H10 F N O2 1 1
1R6 (12S)-12-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1'-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-1,13-DIAZATRICYCLO[13.3.1.1~6,10~]ICOSA-6(20),7,9,15(19),16-PENTAENE-14,18-DIONE C34 H41 N3 O4 1 1
1R7 N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2-CARBOXAMIDE C25 H30 N4 O4 S 1 1
1R8 (3S)-3-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1'-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-4-AZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIEN-5-ONE C31 H42 N2 O3 1 1
1R9 2-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL]-1,3-THIAZOLE-5-CARBOXAMIDE C21 H18 CL N3 O2 S 1 1
1RA ETHYL 6-{[5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL]CARBAMOYL}-1H-INDOLE-1-CARBOXYLATE C23 H23 N3 O4 1 1
1RB 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE C12 H15 N2 O7 P 1 1
1RC (1R)-2-[(5-CHLORO-2,4-DIHYDROXYPHENYL)CARBONYL]-N-ETHYL-2,3-DIHYDRO-1H-ISOINDOLE-1-CARBOXAMIDE C18 H17 CL N2 O4 1 1
1RD N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4-YL]METHYL}CARBAMOYL)-N-(4-{[(1,3-THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}BUTYL)-L-VALINAMIDE C23 H36 N6 O4 S2 1 1
1RE 4-({4-METHOXY-6-[2-(MORPHOLIN-4-YL)ETHOXY]-1,3,5-TRIAZIN-2-YL}AMINO)-2-(3-METHYLBUTOXY)BENZONITRILE C22 H30 N6 O4 1 1
1RG (4R,5S)-3-({(3S,5S)-5-[(3-CARBOXYPHENYL)CARBAMOYL]PYRROLIDIN-3-YL}SULFANYL)-5-[(1S,2R)-1-FORMYL-2-HYDROXYPROPYL]-4-METHYL-4,5-DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID C22 H27 N3 O7 S 3 3
1RL BENZOXAZINORIFAMYCIN-2B C49 H61 N3 O13 1 1
1RM BENZOXAZINORIFAMYCIN-2C C56 H70 N6 O13 1 1
1RN (E)-N-{[4-OXO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL]METHYLIDENE}GLYCINE C12 H16 N3 O10 P S 1 1
1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2-YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE C18 H13 N3 O S2 1 5
1RP 6-FLUORO-3-OXO-4-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-3,4-DIHYDROPYRAZINE-2-CARBOXAMIDE C10 H13 F N3 O9 P 1 1
1RS 1-(PIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE C13 H15 N5 1 1
1RT 4-AMINO-2-OXO-1,2-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID C5 H5 N3 O3 1 1
1S1 2-ETHYL-2-{[4-(METHYLAMINO)-6-(1H-1,2,4-TRIAZOL-1-YL)-1,3,5-TRIAZIN-2-YL]AMINO}BUTANENITRILE C12 H17 N9 1 1
1SA 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE C2 H4 N4 O2 S2 1 1
1SB N'-[(1E)-(4-HYDROXYPHENYL)METHYLIDENE]-2-(3-METHOXYPHENYL)ACETOHYDRAZIDE C16 H16 N2 O3 1 1
1SC 5'-O-THIOPHOSPHONOCYTIDINE C9 H14 N3 O7 P S 0 0
1SD (2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXANE-2-SULFONAMIDE C6 H13 N O7 S 1 1
1SM METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE C15 H16 N4 O5 S 2 2
1SP (2S)-PENTANE-1,2-DIOL C5 H12 O2 1 1
1SQ ISOQUINOLIN-1-AMINE C9 H8 N2 2 2
1SS (1R,4AS,7S,8AR)-1,4A-DIMETHYL-7-(PROP-1-EN-2-YL)DECAHYDROQUINOLINIUM C14 H26 N 1 1 1
1ST (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE C28 H24 N4 O4 1 1
1SU N-{7-CYANO-6-[4-FLUORO-3-({[3-(TRIFLUOROMETHYL)PHENYL]ACETYL}AMINO)PHENOXY]-1,3-BENZOTHIAZOL-2-YL}CYCLOPROPANECARBOXAMIDE C27 H18 F4 N4 O3 S 1 1
1SV (4AS,7S)-4A-METHYL-7-(PROP-1-EN-2-YL)-2,3,4,4A,5,6,7,8-OCTAHYDROQUINOLINIUM C13 H22 N 1 1 1
1SW N-{7-CYANO-6-[4-FLUORO-3-({[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}AMINO)PHENOXY]-1,3-BENZOTHIAZOL-2-YL}CYCLOPROPANECARBOXAMIDE C26 H17 F4 N5 O3 S 1 1
1SY CGAMP C20 H24 N10 O13 P2 1 3
1SZ N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(DIMETHYLAMINO)PROPYLAMINO]-3-OXIDANYLIDENE-PROPYL]CARBAMOYL]-1-METHYL-PYRROL-3-YL]CARBAMOYL]-1-METHYL-PYRROL-3-YL]CARBAMOYL]-1-METHYL-PYRROL-3-YL]CARBAMOYL]-1-METHYL-PYRROL-3-YL]AMINO]-4-OXIDANYLIDENE-BUTYL]CARBAMOYL]-1-METHYL-PYRROL-3-YL]-1-METHYL-4-[[1-METHYL-4-[(1-METHYLIMIDAZOL-2-YL)CARBONYLAMINO]PYRROL-2-YL]CARBONYLAMINO]IMIDAZOLE-2-CARBOXAMIDE C58 H71 N21 O10 0 0
1T9 (2S,3R,4E)-3-HYDROXY-2-(OCTANOYLAMINO)OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE C26 H52 N O6 P 1 1
1TB METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE C15 H17 N5 O6 S 2 2
1TJ 1,8-DIHYDROXY-3-METHYLTETRAPHENE-6,7,12(5H)-TRIONE C19 H12 O5 1 1
1TL 0 0
1TM 4,4'-(3-AMINO-1H-PYRAZOLE-4,5-DIYL)DIPHENOL C15 H13 N3 O2 0 0
1TP 1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-[(1S)-1-CARBOXY-1-HYDROXYETHYL]-4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-DIPHOSPHOX-1-EN-2-IUM 3-OXIDE C15 H26 N4 O10 P2 S 2 1
1TQ 6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN C12 H13 N3 O4 0 0
1TS (2S)-N-[(4-CARBAMIMIDOYLPHENYL)METHYL]-1-[(2S)-2-[(3-CHLORO-4-METHOXYBENZENE)SULFONAMIDO]-3-{[(4-CYANOPHENYL)METHYL]CARBAMOYL}PROPANOYL]PYRROLIDINE-2-CARBOXAMIDE C32 H34 CL N7 O6 S 1 1
1TW 2-AMINO-9-(2-SE-METHYL-5-O-PHOSPHONO-2-SELENO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE C11 H16 N5 O7 P SE 0 0
1TY 3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE C17 H18 N2 O4 1 2
1U0 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1,2-DIHYDROXYETHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE C15 H23 N3 O9 P2 S 2 1
1U2 6-[(PHENYLCARBAMOYL)AMINO]NAPHTHALENE-2-CARBOXIMIDAMIDE C18 H16 N4 O 1 1
1U4 N-[(S)-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)(HYDROXY)PHOSPHORYL]-L-PHENYLALANYL-L-LEUCINE C24 H32 N3 O7 P 1 1
1U8 (3S)-3-AMINO-5-[(2,6-DIMETHYLBENZOYL)OXY]-4-OXOPENTANOIC ACID C14 H17 N O5 0 0
1U9 6-{(E)-2-[3-(2-HYDROXYETHYL)PHENYL]ETHENYL}NAPHTHALENE-2-CARBOXIMIDAMIDE C21 H20 N2 O 1 1
1UF N-{4-[(2-AMINO-6-METHYL-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)SULFANYL]-2-CHLOROBENZOYL}-L-GLUTAMIC ACID C19 H18 CL N5 O6 S 1 1
1UH 2-(1-BENZOTHIOPHEN-7-YL)-4-[1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]FURO[2,3-C]PYRIDIN-7-AMINE C23 H21 N5 O S 1 1
1UJ METHYL 2-(ACETYLAMINO)-1,3-BENZOTHIAZOLE-6-CARBOXYLATE C11 H10 N2 O3 S 1 1
1UK N-{6-[6-AMINO-5-(TRIFLUOROMETHYL)PYRIDIN-3-YL]IMIDAZO[1,2-A]PYRIDIN-2-YL}ACETAMIDE C15 H12 F3 N5 O 1 1
1UL 1-(4-{4-[7-AMINO-2-(1,2,3-BENZOTHIADIAZOL-7-YL)FURO[2,3-C]PYRIDIN-4-YL]-1H-PYRAZOL-1-YL}PIPERIDIN-1-YL)ETHANONE C23 H21 N7 O2 S 1 1
1UN 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE C32 H45 N3 O4 S 1 10
1UO TRANS-4-{4-[7-AMINO-2-(1,2,3-BENZOTHIADIAZOL-7-YL)-3-CHLOROFURO[2,3-C]PYRIDIN-4-YL]-1H-PYRAZOL-1-YL}CYCLOHEXANOL C22 H19 CL N6 O2 S 1 1
1UP 2-[(7-CARBAMIMIDOYL-2-METHOXYNAPHTHALEN-1-YL)OXY]ACETAMIDE C14 H15 N3 O3 1 1
1V2 (2R,4S)-1-[2-(4-{[4-(3,4-DICHLOROPHENYL)-1,3-THIAZOL-2-YL]AMINO}PHENYL)ETHYL]-2-(HYDROXYMETHYL)PIPERIDIN-4-OL C23 H25 CL2 N3 O2 S 0 0
1V5 N-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-[(TRANS-4-HYDROXYCYCLOHEXYL)AMINO]IMIDAZO[1,2-A]QUINOXALINE-8-CARBOXAMIDE C26 H26 F N5 O2 1 1
1VP N-(PHENYLACETYL)GLYCYL-N~6~-ACETYL-L-LYSINE C18 H25 N3 O5 0 0
1VY 1-DEOXY-1-(7-HYDROXY-6-METHYL-2,4-DIOXO-3,4-DIHYDROPTERIDIN-8(2H)-YL)-D-RIBITOL C12 H16 N4 O7 2 1
1VZ 4-(PYRROLIDIN-1-YL)-1-{4-[2-(PYRROLIDIN-1-YL)ETHYL]PHENYL}PIPERIDINE C21 H33 N3 1 1
1W6 ETHYL ({2-[(1,3-BENZOTHIAZOL-2-YLCARBONYL)AMINO]THIOPHEN-3-YL}CARBONYL)CARBAMATE C16 H13 N3 O4 S2 0 0
1W7 N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE C18 H20 N2 O3 S 1 1
1WL NALPHA-{4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZOYL}-N-HYDROXY-L-HISTIDINAMIDE C23 H19 N5 O3 1 1
1WM (BETAS)-NALPHA-{4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZOYL}-N,BETA-DIHYDROXY-L-TYROSINAMIDE C26 H21 N3 O5 1 1
1WN (BETAS)-NALPHA-{4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZOYL}-N,BETA-DIHYDROXY-BETA-METHYL-L-TYROSINAMIDE C27 H23 N3 O5 1 1
1WQ (2S)-6-{[4-(4-CHLOROPHENYL)-3,6-DIHYDROPYRIDIN-1(2H)-YL]METHYL}-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE C21 H21 CL N2 O2 1 1
1WS N-(3-AMINOPROPYL)-8-[(3-FLUOROPHENYL)AMINO]-2,4,5,7-TETRAHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE C18 H20 F N7 O 1 1
1WT 11-ETHYL-5-METHYL-8-[2-(1-OXIDANYLQUINOLIN-4-YL)OXYETHYL]DIPYRIDO[3,2-[1,4]DIAZEPIN-6-ONE C25 H24 N5 O3 1 1
1X3 (2R,6S,13AR,14AR,16AS)-6-{[(CYCLOPENTYLOXY)CARBONYL]AMINO}-14A-[(CYCLOPROPYLSULFONYL)CARBAMOYL]-5,16-DIOXOOCTADECAHYDROCYCLOPROPA[E]PYRROLO[1,2-A][1,4]DIAZACYCLOPENTADECIN-2-YL 3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE C37 H51 N5 O9 S 1 1
1X4 2,3-DIDEOXYRIBOSE-5-PHOSPHATE C5 H11 O6 P 1 3
1X5 2-[(CYCLOPROPYLCARBONYL)AMINO]-5-[METHYL(PYRIDIN-3-YLMETHYL)AMINO]BENZOIC ACID C18 H19 N3 O3 0 0
1X6 O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE C6 H10 N2 O4 1 1
1XA 3-METHYL-4-PHENYL-1,2-OXAZOL-5-AMINE C10 H10 N2 O 1 1
1XB 2-[(6S)-4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-6H-[1,2]OXAZOLO[5,4-C]THIENO[2,3-E]AZEPIN-6-YL]ACETAMIDE C20 H18 CL N3 O2 S 1 1
1XE [5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)FURAN-2-YL]METHYL (3R)-4-{[3-({(E)-2-[(2,2-DIHYDROXYETHYL)SULFANYL]ETHENYL}AMINO)-3-OXOPROPYL]AMINO}-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE C23 H34 N7 O18 P3 S 1 1
1XJ 4-(4-{[2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL]METHYL}PIPERAZIN-1-YL)-N-[(4-{[(2R)-4-(MORPHOLIN-4-YL)-1-(PHENYLSULFANYL)BUTAN-2-YL]AMINO}-3-[(TRIFLUOROMETHYL)SULFONYL]PHENYL)SULFONYL]BENZAMIDE C47 H55 CL F3 N5 O6 S3 1 1
1XO N-[(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)METHYL]-3-PHENYL-N-(THIOPHEN-2-YLMETHYL)PROPANAMIDE C23 H21 N3 O2 S 1 1
1XP 4-CHLORO-5-CYANO-N-{2-[4-(4-FLUOROBENZOYL)PIPERIDIN-1-YL]ETHYL}-2-METHOXYBENZAMIDE C23 H23 CL F N3 O3 1 1
1XQ 2-[4-(4-FLUOROBENZOYL)PIPERIDIN-1-YL]-N-[(4-OXO-3,5,7,8-TETRAHYDRO-4H-PYRANO[4,3-D]PYRIMIDIN-2-YL)METHYL]-N-(THIOPHEN-2-YLMETHYL)ACETAMIDE C27 H29 F N4 O4 S 1 1
1XV 4-(4-{[4-(4-CHLOROPHENYL)-5,6-DIHYDRO-2H-PYRAN-3-YL]METHYL}PIPERAZIN-1-YL)-N-{[3-NITRO-4-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PHENYL]SULFONYL}BENZAMIDE C34 H38 CL N5 O7 S 1 1
1XX (2R)-4-HYDROXY-2,5-DIMETHYLFURAN-3(2H)-ONE C6 H8 O3 0 0
1Y1 4-[4-({4'-CHLORO-3-[2-(DIMETHYLAMINO)ETHOXY]BIPHENYL-2-YL}METHYL)PIPERAZIN-1-YL]-2-(1H-INDOL-5-YLOXY)-N-({3-NITRO-4-[(TETRAHYDRO-2H-PYRAN-4-YLMETHYL)AMINO]PHENYL}SULFONYL)BENZAMIDE C48 H52 CL N7 O8 S 0 0
1Y7 (2R,3R,4S,5R,6S)-2,3,4,5,6,7-HEXAHYDROXYHEPTYL DIHYDROGEN PHOSPHATE C7 H17 O10 P 1 1
1YA N-{4-[{[(6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}(FORMYL)AMINO]BENZOYL}-L-GLUTAMIC ACID C20 H23 N7 O7 0 0
1YC 2-AMINO-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-AMINO-9H-PURIN-9-YL)-3,11,17,18-TETRAHYDROXY-3,11-DIOXIDO-2,4,7,10,12,15-HEXAOXA-3,11-DIPHOSPHATRICYCLO[12.2.1.1~6,9~]OCTADEC-8-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE C20 H24 N10 O13 P2 1 1
1YD 2-AMINO-9-[(2R,3R,3AR,5S,7AS,9R,10R,10AR,12R,14AS)-9-(6-AMINO-9H-PURIN-9-YL)-3,5,10,12-TETRAHYDROXY-5,12-DIOXIDOOCTAHYDRO-2H,7H-DIFURO[3,2-D:3',2'-J][1,3,7,9,2,8]TETRAOXADIPHOSPHACYCLODODECIN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE C20 H24 N10 O13 P2 1 1
1YE (5,6-DIMETHYL-9-OXO-9H-XANTHEN-4-YL)ACETIC ACID C17 H14 O4 1 1
1YF [(2R,3R,4S,5S,6R)-3,5-DIHYDROXY-2-{[(R)-HYDROXY{[(R)-HYDROXY{[(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHOXY}PHOSPHORYL]OXY}PHOSPHORYL]OXY}-6-METHYLTETRAHYDRO-2H-PYRAN-4-YL]IMIDOFORMIC ACID (NON-PREFERRED NAME) C17 H27 N3 O15 P2 0 0
1YJ N-[4-({[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID C19 H23 N7 O6 1 1
1Z0 N-METHYL-D-PHENYLALANYL-N-{(1S)-4-CARBAMIMIDAMIDO-1-[(6-CARBOXY-1,3-BENZOTHIAZOL-2-YL)CARBONYL]BUTYL}-L-PROLINAMIDE C29 H35 N7 O5 S 1 1
1Z1 N-(DIMETHYLSULFAMOYL)-L-PHENYLALANYL-N-[(1S,2S)-2-HYDROXY-4-{[(2S)-2-METHYLBUTYL]AMINO}-1-(2-METHYLPROPYL)-4-OXOBUTYL]-N~6~-(METHYLCARBAMOTHIOYL)-L-LYSINAMIDE C32 H57 N7 O6 S2 1 1
1Z7 N-(3-METHYLBUTANOYL)-L-VALYL-N-{(1S)-1-[(R)-[(1R)-1-BENZYL-2-METHOXY-2-OXOETHOXY](HYDROXY)PHOSPHORYL]-3-METHYLBUTYL}-L-VALINAMIDE C30 H50 N3 O8 P 1 1
1ZB N-[(1S)-1-BENZYL-3-DIAZEN-1-IUMYLIDENE-2-OXOPROPYL]GLYCINAMIDE C12 H14 N4 O2 2 1
1ZG N-(3-CARBOXYPROPANOYL)-L-VALYL-N-{(1R)-1-[(S)-HYDROXY(OXIDO)PHOSPHANYL]-2-PHENYLETHYL}-L-PROLINAMIDE C22 H32 N3 O8 P 1 1
1ZK 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYL-4-({(1S,2R)-2-METHYL-1-[(PYRIDIN-2-YLMETHYL)CARBAMOYL]BUTYL}CARBAMOYL)HEXYL]AMINO}-2-{[(NAPHTHALEN-1-YLOXY)ACETYL]AMINO}-3-OXOPROPYL]-1H-IMIDAZOL-3-IUM C45 H62 N7 O7 1 1 2
1ZN (2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID C20 H29 N O3 0 0
1ZV AMINO({3-[(3R,5R,14S,16S,21AR)-5,14-DIHYDROXY-1,4,17-TRIOXO-16-(2-PHENYLETHYL)ICOSAHYDRO-1H-PYRROLO[1,2-D][1,4,7,11]TETRAAZACYCLONONADECIN-3-YL]PROPYL}AMINO)METHANIMINIUM C30 H50 N7 O5 1 1 1
1ZZ 5'-O-[(S)-(DODECANOYLOXY)(HYDROXY)PHOSPHORYL]ADENOSINE C22 H36 N5 O8 P 1 4