Mol ID Molecule Name MW AlogP Hdon Hacc OB(%) Caco-2 BBB DL FASA HL MOL001689 acacetin 284.28 2.58 2 5 34.97 0.67 -0.04 0.24 79.9 17.24 MOL000173 wogonin 284.28 2.58 2 5 30.68 0.78 0.03 0.22 79.9 17.74 MOL000228 (2R)-7-hydroxy-5-methoxy-2-phenylchroman-4-one 270.3 2.81 1 4 55.23 0.87 0.26 0.2 55.75 17.02 MOL002714 baicalein 270.25 2.33 3 5 33.51 0.63 -0.05 0.2 90.9 16.24 MOL002908 5,8,2'-Trihydroxy-7-methoxyflavone 300.28 2.31 3 6 37 0.75 -0.06 0.26 100.12 16.16 MOL002909 5,7,2,5-tetrahydroxy-8,6-dimethoxyflavone 376.34 2.01 4 9 33.81 0.35 -0.59 0.44 138.82 15.93 MOL002910 Carthamidin 288.27 2.03 4 6 41.15 0.16 -0.41 0.24 107.22 15.81 MOL002911 2,6,2',4'-tetrahydroxy-6'-methoxychaleone 302.3 2.61 4 6 69.03 -0.07 -0.32 0.21 107.22 21.89 MOL002913 Dihydrobaicalin_qt 272.27 2.29 3 5 40.03 0.56 0.18 0.2 86.98 16.12 MOL002914 Eriodyctiol (flavanone) 288.27 2.03 4 6 41.35 0.04 -0.66 0.24 107.22 15.87 MOL002915 Salvigenin 328.34 2.82 1 6 49.06 0.85 -0.02 0.33 78.12 15.86 MOL002917 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 330.31 2.3 3 7 45.04 0.47 -0.11 0.33 109.36 16.36 MOL002925 5,7,2',6'-Tetrahydroxyflavone 286.25 2.06 4 6 37.01 0.17 -0.55 0.24 111.12 17.99 MOL002926 dihydrooroxylin A 286.3 2.54 2 5 38.71 0.71 0.02 0.22 75.98 17.58 MOL002927 Skullcapflavone II 374.37 2.53 2 8 69.51 0.67 -0.07 0.43 107.58 16.14 MOL002928 oroxylin a 284.28 2.58 2 5 41.36 0.76 0.12 0.23 79.9 17.15 MOL002932 Panicolin 314.31 2.56 2 6 76.25 0.84 0.3 0.29 89.12 16.77 MOL002933 5,7,4'-Trihydroxy-8-methoxyflavone 300.28 2.31 3 6 36.56 0.45 -0.39 0.26 100.12 16.92 MOL002934 NEOBAICALEIN 374.37 2.53 2 8 104.34 0.73 -0.19 0.43 107.58 16.49 MOL002937 DIHYDROOROXYLIN 286.3 2.54 2 5 66.06 0.67 0.12 0.23 75.98 17.16 MOL000358 beta-sitosterol 414.79 8.08 1 1 36.91 1.32 0.98 0.75 20.22 5.35 MOL000359 sitosterol 414.79 8.08 1 1 36.91 1.32 0.87 0.75 20.22 5.37 MOL000525 Norwogonin 270.25 2.33 3 5 39.4 0.59 -0.17 0.2 90.9 16.92 MOL000552 5,2'-Dihydroxy-6,7,8-trimethoxyflavone 344.34 2.55 2 7 31.71 0.92 0 0.35 98.36 16.46 MOL000073 ent-Epicatechin 290.29 1.92 5 6 48.95 0.01 -0.64 0.24 110.37 0.62 MOL000449 Stigmasterol 412.77 7.64 1 1 43.82 1.44 1 0.75 20.22 5.57 MOL001458 coptisine 320.34 3.24 0 4 30.67 1.21 0.32 0.85 40.79 9.33 MOL001490 bis[(2S)-2-ethylhexyl] benzene-1,2-dicarboxylate 390.62 7.57 0 4 43.59 0.97 0.67 0.34 52.59 3.02 MOL001506 Supraene 410.8 11.33 0 0 33.54 2.08 1.73 0.42 0 2.72 MOL002879 Diop 390.62 7.43 0 4 43.59 0.79 0.26 0.39 52.59 3.59 MOL002897 epiberberine 336.39 3.44 0 4 43.09 1.16 0.39 0.77 40.79 6.09 MOL008206 Moslosooflavone 298.31 2.83 1 5 44.08 1 0.53 0.25 68.9 17.01 MOL010415 11,13-Eicosadienoic acid, methyl ester 322.59 7.55 0 2 39.27 1.46 1.24 0.22 26.29 5.43 MOL012245 5,7,4'-trihydroxy-6-methoxyflavanone 302.3 2.28 3 6 36.62 0.43 -0.31 0.26 96.22 16.12 MOL012246 5,7,4'-trihydroxy-8-methoxyflavanone 302.3 2.28 3 6 74.23 0.37 -0.43 0.26 96.22 16.84 MOL012266 rivularin 344.34 2.55 2 7 37.94 0.64 -0.12 0.36 98.36 16.24