| No. | TCMSP ID | Molecule name | Molecular weight | OB | DL |
| 1 | MOL000033 | (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | 428.82 | 36.23 | 0.78 | 2 | MOL000096 | (-)-Catechin | 290.29 | 49.68 | 0.24 | 3 | MOL000098 | Quercetin | 302.25 | 46.43 | 0.28 | 4 | MOL000211 | Mairin | 456.78 | 55.38 | 0.78 | 5 | MOL000239 | Jaranol | 314.31 | 50.83 | 0.29 | 6 | MOL000296 | Hederagenin | 414.79 | 36.91 | 0.75 | 7 | MOL000354 | Isorhamnetin | 316.28 | 49.6 | 0.31 | 8 | MOL000358 | Beta-sitosterol | 414.79 | 36.91 | 0.75 | 9 | MOL000359 | Sitosterol | 414.79 | 36.91 | 0.75 | 10 | MOL000371 | 3,9-di-O-Methylnissolin | 314.36 | 53.74 | 0.48 | 11 | MOL000378 | 7-O-Methylisomucronulatol | 316.38 | 74.69 | 0.3 | 12 | MOL000379 | 9,10-Dimethoxypterocarpan-3-O-β-D-glucoside | 462.49 | 36.74 | 0.92 | 13 | MOL000380 | (6aR,11aR)-9,10-Dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol | 300.33 | 64.26 | 0.42 | 14 | MOL000387 | Bifendate | 418.38 | 31.1 | 0.67 | 15 | MOL000392 | Formononetin | 268.28 | 69.67 | 0.21 | 16 | MOL000398 | Isoflavanone | 316.33 | 109.99 | 0.3 | 17 | MOL000417 | Calycosin | 284.28 | 47.75 | 0.24 | 18 | MOL000422 | Kaempferol | 286.25 | 41.88 | 0.24 | 19 | MOL000433 | FA | 441.45 | 68.96 | 0.71 | 20 | MOL000442 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene | 314.31 | 39.05 | 0.48 | 21 | MOL000449 | Stigmasterol | 412.77 | 43.83 | 0.76 | 22 | MOL000471 | Aloe-emodin | 270.25 | 83.38 | 0.24 | 23 | MOL001040 | (2R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one | 272.27 | 42.36 | 0.21 | 24 | MOL001420 | ZINC04073977 | 412.77 | 38 | 0.76 | 25 | MOL001494 | Mandenol | 308.56 | 42 | 0.19 | 26 | MOL001495 | Ethyl linolenate | 306.54 | 46.1 | 0.2 | 27 | MOL001755 | 24-Ethylcholest-4-en-3-one | 412.77 | 36.08 | 0.76 | 28 | MOL001771 | Poriferast-5-en-3beta-ol | 414.79 | 36.91 | 0.75 | 29 | MOL001792 | DFV | 256.27 | 2.57 | 32.76 | 30 | MOL002235 | EUPATIN | 360.34 | 50.8 | 0.41 | 31 | MOL002268 | Rhein | 284.23 | 47.07 | 0.28 | 32 | MOL002281 | Toralactone | 272.27 | 46.46 | 0.24 | 33 | MOL002297 | Daucosterol_qt | 386.73 | 35.89 | 0.7 | 34 | MOL002341 | Hesperetin | 302.3 | 70.31 | 0.27 | 35 | MOL002879 | Diop | 390.62 | 43.59 | 0.39 | 36 | MOL002883 | Ethyl oleate (NF) | 310.58 | 32.4 | 0.19 | 37 | MOL003137 | Leucanthoside | 462.44 | 32.12 | 0.78 | 38 | MOL004328 | Naringenin | 272.27 | 59.29 | 0.21 | 39 | MOL005100 | 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one | 302.3 | 47.74 | 0.27 | 40 | MOL005344 | Ginsenoside rh2 | 622.98 | 36.32 | 0.56 | 41 | MOL005481 | 2,6,10,14,18-Pentamethylicosa-2,6,10,14,18-pentaene | 342.67 | 33.4 | 0.24 | 42 | MOL005486 | 3,4-Dehydrolycopen-16-al | 548.92 | 46.64 | 0.49 | 43 | MOL005503 | Cornudentanone | 378.56 | 39.66 | 0.33 | 44 | MOL005530 | Hydroxygenkwanin | 300.28 | 36.47 | 0.27 | 45 | MOL005531 | Telocinobufagin | 402.58 | 69.99 | 0.79 | 46 | MOL005552 | Gemin D | 634.49 | 68.83 | 0.56 | 47 | MOL005828 | Nobiletin | 402.43 | 61.67 | 0.52 | 48 | MOL007475 | Ginsenoside f2 | 785.14 | 36.43 | 0.25 | 49 | MOL008457 | Tetrahydroalstonine | 352.47 | 32.42 | 0.81 | 50 | MOL013381 | Marmin | 332.43 | 38.23 | 0.31 |
|
|