| Molid | Formula | Iupac | Common Name | Chembl Id | Clinical Phase | Atoms | Charge | Curation | Visibility | Save |
| 2051380 | C15H10O5 | 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one ... | Apigenin | 28 | | 30 | 0 | ATB | Public | |
| 2051379 | C42H61O16 | - | - | | | 119 | -1 | ATB | Public | |
| 2051378 | C5H11NO2 | 2-trimethylazaniumylacetate ... | trimethylglycine | 1182 | 4 | 19 | 0 | ATB | Public | |
| 2051377 | C12H21Cl5 | - | - | | | 38 | 0 | ATB | Public | |
| 2051376 | C32H51N5O5 | - | - | | | 93 | 0 | ATB | Public | |
| 2051375 | C12H21F5 | - | - | | | 38 | 0 | ATB | Public | |
| 2051374 | C12H21F5 | - | - | | | 38 | 0 | ATB | Public | |
| 2051372 | C17H36 | - | - | | | 53 | 0 | ATB | Public | |
| 2051371 | C22H41N5O5 | - | - | | | 73 | 0 | ATB | Public | |
| 2051370 | C22H36O10 | - | - | | | 68 | 0 | ATB | Public | |
| 2051369 | C22H46 | - | - | | | 68 | 0 | ATB | Public | |
| 2051368 | C32H56O15 | - | - | | | 103 | 0 | ATB | Public | |
| 2051367 | C27H46O15 | - | - | | | 88 | 0 | ATB | Public | |
| 2051366 | C52H46O20 | - | - | | | 118 | 0 | ATB | Public | |
| 2051365 | C17H31N5O5 | - | - | | | 58 | 0 | ATB | Public | |
| 2051364 | C22H36 | - | - | | | 58 | 0 | ATB | Public | |
| 2051363 | C37H41N5 | - | - | | | 83 | 0 | ATB | Public | |
| 2051362 | C9H11Cl3NO3PS | - | Chlorpyrifos | 463210 | | 29 | 0 | ATB | Public | |
| 2051361 | C8H10ClN5O3S | (NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide ... | Thiamethoxam | 1896251 | | 28 | 0 | ATB | Public | |
| 2051360 | C14H20ClNO2 | 2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide ... | ACETOCHLOR | 1517425 | | 38 | 0 | ATB | Public | |
| 2051359 | C10H19N5S | 6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine ... | - | | | 35 | 0 | ATB | Public | |
| 2051358 | C8H14ClN5 | 6-chloro-N'-ethyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine ... | - | 15063 | | 28 | 0 | ATB | Public | |
| 2051357 | C32H56N3O2 | - | - | | | 93 | 1 | ATB | Public | |
| 2051356 | C32H55N3O2 | (3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-[2-(3H-imidazol-4-yl)ethylamino]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol ... | - | | | 92 | 0 | ATB | Public | |
| 2051355 | C27H46O3 | (3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one ... | Yakkasterone | | | 76 | 0 | ATB | Public | |
| 2051354 | C27H41O4 | - | - | | | 72 | -1 | ATB | Public | |
| 2051353 | C9H9N3O2 | methyl N-(1H-benzimidazol-2-yl)carbamate ... | Carbendazim | | | 23 | 0 | ATB | Public | |
| 2051352 | C27H45O5S | - | (3β)-25-Hydroxycholest-5-en-3-ylhydrogensulfate ... | | | 78 | -1 | ATB | Public | |
| 2051351 | C19H17Cl2N3O3 | - | (2S,4R)-difenoconazole ... | | | 44 | 0 | ATB | Public | |
| 2051350 | C16H22ClN3O | - | (S)-tebuconazole | 487186 | | 43 | 0 | ATB | Public | |
| 2051349 | C9H10ClN5O2 | - | Imidacloprid | 406819 | 4 | 27 | 0 | ATB | Public | |
| 2051348 | C27H43O4 | - | (3β,7α,25R)-3,7-Dihydroxycholest-5-en-26-oicacid ... | | | 74 | -1 | ATB | Public | |
| 2051347 | C27H43O3 | - | (25R)-3β-Hydroxycholest-5-en-26-oicacid ... | | | 73 | -1 | ATB | Public | |
| 2051346 | C27H44O2 | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol ... | 24(S),25-epoxycholesterol ... | | | 73 | 0 | ATB | Public | |
| 2051345 | C27H46O2 | (3S,4R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol ... | 4β-Hydroxycholesterol ... | | | 75 | 0 | ATB | Public | |
| 2051344 | C21H34O2 | 1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone ... | Pregnanolone | 210952 | | 57 | 0 | ATB | Public | |
| 2051343 | C20H32O2 | - | - | | | 54 | 0 | ATB | Public | |
| 2051342 | C18H36O6 | - | - | | | 60 | 0 | ATB | Public | |
| 2051341 | C18H36O6 | - | - | | | 60 | 0 | ATB | Public | |
| 2051339 | C42H82NO8P | - | 1-Oleoyl-2-palmitoyl-sn-glycero-3-PC ... | | | 134 | 0 | ATB | Public | |
| 2051338 | C42H82NO8P | - | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine ... | | | 134 | 0 | ATB | Public | |
| 2051337 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051336 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051335 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051334 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051333 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051332 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051331 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051330 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051329 | C27H46O2 | (3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol ... | 7β-hydroxycholesterol ... | 497834 | | 75 | 0 | ATB | Public | |
| 2051328 | C27H46O2 | (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol ... | 7α-Hydroxycholesterol ... | 497207 | | 75 | 0 | ATB | Public | |
| 2051327 | C35H58O3 | - | - | | | 96 | 0 | ATB | Public | |
| 2051326 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051325 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051324 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051323 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051322 | C35H62O4 | - | - | | | 101 | 0 | ATB | Public | |
| 2051321 | C35H62O4 | - | - | | | 101 | 0 | ATB | Public | |
| 2051320 | C35H62O4 | - | - | | | 101 | 0 | ATB | Public | |
| 2051318 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051317 | C35H60O3 | - | - | | | 98 | 0 | ATB | Public | |
| 2051316 | C41H75N5O14 | - | - | | | 135 | 0 | ATB | Public | |
| 2051315 | C92H123O60 | - | - | | | 275 | -3 | ATB | Public | |
| 2051313 | C66H112O53S6 | - | - | | | 237 | -6 | ATB | Public | |
| 2051312 | C9H11NO2 | methylaminomethyl benzoate ... | - | | | 23 | 0 | ATB | Public | |
| 2051310 | C16H12O6 | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one ... | Scoparol | 214321 | | 34 | 0 | ATB | Public | |
| 2051309 | C24H21NO5 | - | Fmoc-Tyr-OH | | | 51 | 0 | ATB | Public | |
| 2051308 | C24H21NO5 | - | FMOC-D-TYR-OH | | | 51 | 0 | ATB | Public | |
| 2051307 | C14H28N2O4 | propyl N-[6-(propoxycarbonylamino)hexyl]carbamate ... | Dipropyl1,6-hexanediylbiscarbamate ... | | | 48 | 0 | ATB | Public | |
| 2051304 | C27H33N9O15P2 | - | - | | | 86 | 0 | ATB | Public | |
| 2051301 | C26H27F6NO3 | - | - | | | 63 | 0 | ATB | Public | |
| 2051300 | C23H25N | - | - | | | 49 | 0 | ATB | Public | |
| 2051299 | C9H13NO2 | 4-(3-aminopropyl)benzene-1,2-diol ... | 4-(3-Aminopropyl)-1,2-benzenediol ... | | | 25 | 0 | ATB | Public | |
| 2051298 | C11H15NO2 | (2R)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine ... | (−)-Methylenedioxymethamphetamine ... | 382757 | | 29 | 0 | ATB | Public | |
| 2051296 | C19H23N | - | 1-[(1R)-1,2-Diphenylethyl]piperidine ... | 466089 | | 43 | 0 | ATB | Public | |
| 2051295 | C20H25NO | - | - | | | 47 | 0 | ATB | Public | |
| 2051294 | C20H25NO | - | - | | | 47 | 0 | ATB | Public | |
| 2051293 | C20H25NO | - | - | | | 47 | 0 | ATB | Public | |
| 2051291 | C20H26N3O | - | Lysergicaciddiethylamide ... | 263881 | 2 | 50 | 1 | ATB | Public | |
| 2051290 | C12H18O | 2,6-di(propan-2-yl)phenol ... | Propofol | 526 | 4 | 31 | 0 | ATB | Public | |
| 2051288 | C41H36S | - | - | | | 78 | 0 | ATB | Public | |
| 2051287 | C196H311N36O51S5 | - | - | | | 599 | 1 | Template | Public | |
| 2051286 | C10H8N2O2 | 3-hydroxyquinoline-2-carboxamide ... | 3-Hydroxy-2-quinolinecarboxamide ... | | | 22 | 0 | ATB | Public | |
| 2051285 | C50H61N7O9 | - | - | | | 127 | 0 | ATB | Public | |
| 2051284 | C18H20N8O2S | N-(4-acetamidophenyl)-2-[[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide ... | N-(4-Acetamidophenyl)-2-{[4-amino-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide ... | | | 49 | 0 | ATB | Public | |
| 2051283 | C34H77NO15S2Si7 | - | - | | | 136 | 0 | ATB | Public | |
| 2051282 | C23H17N3O2 | - | - | | | 45 | 0 | ATB | Public | |
| 2051281 | C5O5 | (2R,3R,4S,5S)-oxane-2,3,4,5-tetrol ... | α-L-Arabinopyranose ... | | | 10 | 0 | ATB | Public | |
| 2051280 | C12H22O11 | (2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-2-(hydroxymethyl)oxolane-2,3,4-triol ... | Levanbiose | | | 45 | 0 | ATB | Public | |
| 2051277 | C41H70O13 | (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol ... | notoginsenosideR2 | | | 124 | 0 | ATB | Public | |
| 2051276 | C43H74O13 | - | - | | | 130 | 0 | ATB | Public | |
| 2051275 | C53H90O22 | - | GinsenosideRb3 | | | 165 | 0 | ATB | Public | |
| 2051274 | C15H10O7 | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one ... | Quercetin | 50 | | 32 | 0 | ATB | Public | |
| 2051271 | C9H15N5O | - | Minoxidil | | | 30 | 0 | ATB | Public | |
| 2051269 | C39H63N11O11S2 | - | - | | | 126 | 0 | ATB | Public | |
| 2051265 | C11H13NO5 | - | - | | | 30 | 0 | ATB | Public | |
| 2051262 | C72H110N12O20 | - | - | | | 214 | 0 | ATB | Public | |
| 2051260 | C63H68O21 | - | - | | | 152 | 0 | ATB | Public | |
| 2051259 | C46H73N11O14S2 | - | - | | | 146 | 0 | ATB | Public | |
| 2051258 | C42H62O16 | (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid ... | Glycyrrhizin | 441687 | | 120 | 0 | ATB | Public | |
