| Molid | Formula | Iupac | Common Name | Chembl Id | Clinical Phase | Atoms | Charge | Curation | Visibility | Save |
| 1670163 | C8H12NO2 | 2-(3,4-dihydroxyphenyl)ethylazanium ... | dopaminiumcation | | 4 | 23 | 1 | ATB | Public | |
| 1670047 | C13H12F2N6O | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol ... | Fluconazole | 106 | 4 | 34 | 0 | ATB | Public | |
| 1670039 | C10H15N5O10P2 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate ... | - | 14830 | 0 | 42 | 0 | ATB | Public | |
| 1670021 | C5H14NO | 2-hydroxyethyl-trimethylazanium ... | 2-(trimethyl-λ4-azanyl)ethanol ... | 920 | 4 | 21 | 1 | ATB | Public | |
| 1670020 | C10H15N5O10P2 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate ... | - | 14830 | 0 | 42 | 0 | ATB | Public | |
| 1670001 | C17H14F3N3O2S | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide ... | Celecoxib | 118 | 4 | 40 | 0 | ATB | Public | |
| 1669973 | C25H22ClNO3 | [(S)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate ... | - | 492491 | 0 | 52 | 0 | ATB | Public | |
| 1669782 | C21H20Cl2O3 | [3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate ... | (1R)-trans-Permethrin ... | 589355 | 4 | 46 | 0 | ATB | Public | |
| 1654286 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
| 1654284 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
| 1653733 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1653396 | C17H18FN3O3S | - | - | 295619 | 0 | 43 | 0 | ATB | Public | |
| 1653317 | C14H17N5O3 | 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid ... | - | 30116 | 4 | 39 | 0 | ATB | Public | |
| 1652995 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
| 1652500 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1652345 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1651583 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
| 1642838 | C9H7Cl2N5 | 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine ... | Lamotrigine | 741 | 4 | 23 | 0 | ATB | Public | |
| 1642245 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
| 1641430 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
| 1641429 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
| 1640324 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
| 1640323 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
| 1640322 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
| 1640319 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
| 1640309 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
| 1640308 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1640298 | C14H17N5O3 | 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid ... | - | 30116 | 4 | 39 | 0 | ATB | Public | |
| 1640297 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
| 1640293 | C19H20F3N3O3 | 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid ... | - | 295433 | 0 | 48 | 0 | ATB | Public | |
| 1640289 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1640257 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
| 1640254 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
| 1640233 | C16H31O2 | Hexadecanoic acid | 1-λ1-oxidanylhexadecan-1-one ... | 82293 | 4 | 49 | -1 | ATB | Public | |
| 1636502 | C28H28O3 | 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid ... | Adapalene | 1265 | 4 | 59 | 0 | ATB | Public | |
| 1636364 | C27H44O | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol ... | Cholecalciferol | 1042 | 4 | 72 | 0 | ATB | Public | |
| 1636250 | C21H20Cl2O3 | [3-(phenoxy)phenyl]methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate ... | - | | 4 | 46 | 0 | ATB | Public | |
| 1636096 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
| 1636089 | C21H19F2N3O3 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6259 | 0 | 48 | 0 | ATB | Public | |
| 1636086 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
| 1636020 | C27H44O | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol ... | Cholecalciferol | 1042 | 4 | 72 | 0 | ATB | Public | |
| 1635990 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
| 1635988 | C25H22ClNO3 | [(S)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate ... | - | 492491 | 0 | 52 | 0 | ATB | Public | |
| 1635987 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
| 1635979 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
| 1635963 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1635946 | C14H17N5O3 | 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid ... | - | 30116 | 4 | 39 | 0 | ATB | Public | |
| 1635923 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
| 1635920 | C19H20F3N3O3 | 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid ... | - | 295433 | 0 | 48 | 0 | ATB | Public | |
| 1635689 | C28H28O3 | 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid ... | Adapalene | 1265 | 4 | 59 | 0 | ATB | Public | |
| 1635673 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1635672 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1635667 | C17H19FN4O4 | - | - | 478120 | 0 | 45 | 0 | ATB | Public | |
| 1635666 | C17H19FN4O4 | - | - | 478120 | 0 | 45 | 0 | ATB | Public | |
| 1635656 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
| 1635653 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
| 1635645 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
| 1635635 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
| 1635627 | C16H11ClN4 | 8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine ... | Estazolam | 285674 | 4 | 32 | 0 | ATB | Public | |
| 1635618 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
| 1635615 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
| 1635614 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
| 1635590 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
| 1635589 | C16H11ClN4 | 8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine ... | Estazolam | 285674 | 4 | 32 | 0 | ATB | Public | |
| 1635586 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
| 1635584 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1635568 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
| 1635563 | C19H20F3N3O3 | 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid ... | - | 295433 | 0 | 48 | 0 | ATB | Public | |
| 1635540 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1635525 | C17H19FN4O4 | - | - | 478120 | 0 | 45 | 0 | ATB | Public | |
| 1635524 | C17H19FN4O4 | - | - | 478120 | 0 | 45 | 0 | ATB | Public | |
| 1635496 | C27H44O | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol ... | Cholecalciferol | 1042 | 4 | 72 | 0 | ATB | Public | |
| 1635251 | C25H25N5O4 | - | Apixaban | 231779 | 4 | 59 | 0 | ATB | Public | |
| 1635228 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
| 1635227 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
| 1635204 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
| 1635203 | C17H18F3N3O3 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6273 | 0 | 44 | 0 | ATB | Public | |
| 1635182 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
| 1635181 | C15H17FN4O3 | - | - | 826 | 4 | 40 | 0 | ATB | Public | |
| 1635175 | C28H34O15 | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one ... | - | 449317 | 3 | 77 | 0 | ATB | Public | |
| 1635143 | C21H19F2N3O3 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6259 | 0 | 48 | 0 | ATB | Public | |
| 1635142 | C21H19F2N3O3 | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6259 | 0 | 48 | 0 | ATB | Public | |
| 1635139 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
| 1635138 | C19H20FN3O3 | 1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 157548 | 0 | 46 | 0 | ATB | Public | |
| 1635093 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
| 1635092 | C19H21ClFN3O3 | - | - | 1201760 | 4 | 48 | 0 | ATB | Public | |
| 1635091 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
| 1635090 | C20H24FN3O4 | - | - | 1210954 | 0 | 52 | 0 | ATB | Public | |
| 1635089 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
| 1635088 | C16H19FN4O3 | 6-fluoro-1-methylamino-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 6231 | 0 | 43 | 0 | ATB | Public | |
| 1635080 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
| 1635045 | C21H18F3N3O3 | 1-(2,4-difluorophenyl)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 277100 | 4 | 48 | 0 | ATB | Public | |
| 1635031 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
| 1635020 | C27H44O | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol ... | Cholecalciferol | 1042 | 4 | 72 | 0 | ATB | Public | |
| 1634842 | C19H21FN2O4 | - | - | 363449 | 4 | 47 | 0 | ATB | Public | |
| 1634827 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1634826 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1634825 | C19H22F2N4O3 | 5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid ... | - | 850 | 4 | 50 | 0 | ATB | Public | |
| 1634809 | C19H22FN3O3 | 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid ... | - | 583 | 4 | 48 | 0 | ATB | Public | |
| 1634806 | C17H20FN3O3 | 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid ... | - | 267648 | 4 | 44 | 0 | ATB | Public | |
