| No. | Mol ID | Molecule name | OB | DL | Reference |
| 1 | MOL001601 | Trijuganone B | 38.74 | 0.35 | [10] | 2 | MOL001659 | Poriferasterol | 43.82 | 0.75 | [11] | 3 | MOL001771 | Poriferast-5-en-3beta-ol | 36.91 | 0.75 | [12] | 4 | MOL001942 | Isoimperatorin | 45.46 | 0.22 | [13] | 5 | MOL002222 | Sugiol | 36.11 | 0.27 | [14] | 6 | MOL002651 | Dihydrotanshinone IIA | 43.76 | 0.40 | [15] | 7 | MOL002776 | Baicalin | 40.12 | 0.75 | [16] | 8 | MOL000569 | Digallate | 61.84 | 0.25 | | 9 | MOL000006 | Luteolin | 36.16 | 0.24 | [17] | 10 | MOL007036 | 5,6-Dihydroxy-7-isopropyl-1, 1-dimethyl-2,3-dihydrophenanthren-4-one | 33.76 | 0.28 | [18] | 11 | MOL007041 | 2-Isopropyl-8-methylphenanthrene-3,4-dione | 40.86 | 0.22 | [19] | 12 | MOL007045 | 3α-Hydroxytanshinone IIA | 44.92 | 0.44 | [20] | 13 | MOL007048 | (E)-3-[2-(3,4-Dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid | 48.24 | 0.31 | [21] | 14 | MOL007049 | 4-Methylenemiltirone | 34.34 | 0.22 | [22] | 15 | MOL007050 | 2-(4-Hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde | 62.78 | 0.39 | [23] | 16 | MOL007058 | Formyltanshinone | 73.44 | 0.41 | | 17 | MOL007059 | 3-Beta-hydroxymethyllenetanshiquinone | 32.16 | 0.40 | | 18 | MOL007061 | Methylenetanshinquinone | 37.07 | 0.36 | [24] | 19 | MOL007063 | Przewalskin A | 37.10 | 0.64 | [25] | 20 | MOL007064 | Przewalskin B | 110.32 | 0.43 | [26] | 21 | MOL007068 | Przewaquinone B | 62.24 | 0.41 | [27] | 22 | MOL007069 | Przewaquinone C | 55.74 | 0.40 | [28] | 23 | MOL007070 | (6S, 7R)-6,7-Dihydroxy-1,6-dimethyl-8,9-dihydro-7h-naphtho[8, 7-g]benzofuran-10,11-dione | 41.31 | 0.45 | | 24 | MOL007071 | Przewaquinone F | 40.30 | 0.45 | [28] | 25 | MOL007077 | Sclareol | 43.67 | 0.20 | [29] | 26 | MOL007079 | Tanshinaldehyde | 52.47 | 0.45 | [30] | 27 | MOL007081 | Danshenol B | 57.95 | 0.55 | [31] | 28 | MOL007082 | Danshenol A | 56.96 | 0.52 | [32] | 29 | MOL007085 | Salvilenone | 30.38 | 0.37 | [33] | 30 | MOL007088 | Cryptotanshinone | 52.34 | 0.39 | [34] | 31 | MOL007093 | Dan-shexinkum D | 38.88 | 0.55 | [35] | 32 | MOL007094 | Danshenspiroketallactone | 50.43 | 0.30 | [36] | 33 | MOL007098 | Deoxyneocryptotanshinone | 49.40 | 0.28 | [37] | 34 | MOL007100 | Dihydrotanshinlactone | 38.68 | 0.32 | | 35 | MOL007101 | Dihydrotanshinone I | 45.04 | 0.36 | [38] | 36 | MOL007105 | Epidanshenspiroketallactone | 68.27 | 0.30 | [36] | 37 | MOL007107 | Ferruginol | 36.06 | 0.24 | [39] | 38 | MOL007108 | Isocryptotanshi-none | 54.98 | 0.39 | [38] | 39 | MOL007111 | Isotanshinone II | 49.91 | 0.39 | [40] | 40 | MOL007115 | Manool | 45.04 | 0.20 | [41] | 41 | MOL007119 | Miltionone I | 49.68 | 0.32 | [42] | 42 | MOL007120 | Miltionone II | 71.02 | 0.43 | [43] | 43 | MOL007121 | Miltipolone | 36.55 | 0.36 | [44] | 44 | MOL007122 | Miltirone | 38.75 | 0.25 | [45] | 45 | MOL007124 | Neocryptotanshinone II | 39.46 | 0.23 | [46] | 46 | MOL007125 | Neocryptotanshinone | 52.48 | 0.32 | [47] | 47 | MOL007127 | 1-Methyl-8,9-dihydro-7h-naphtho[5,6-g]benzofuran-6,10,11-trione | 34.72 | 0.36 | [48] | 48 | MOL007130 | Prolithospermic acid | 64.37 | 0.31 | [49] | 49 | MOL007132 | (2R)-3-(3,4-Dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid | 109.38 | 0.35 | | 50 | MOL007141 | Salvianolic acid G | 45.56 | 0.60 | [50] | 51 | MOL007142 | Salvianolic acid J | 43.37 | 0.72 | [51] | 52 | MOL007143 | Salvilenone I | 32.43 | 0.22 | [33] | 53 | MOL007145 | Salviolone | 31.72 | 0.23 | [52] | 54 | MOL007150 | (6S)-6-Hydroxy-1-methyl-6-methylol-8,9-dihydro-7h-naphtho[8,7-g]benzofuran-10,11-quinone | 75.38 | 0.45 | [51] | 55 | MOL007151 | Tanshindiol B | 42.66 | 0.45 | [52] | 56 | MOL007152 | Przewaquinone E | 42.85 | 0.45 | [28] | 57 | MOL007154 | Tanshinone IIA | 49.88 | 0.39 | [53] | 58 | MOL007155 | (6S)-6-(Hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7h-naphtho[8,7-g]benzofuran-10,11-dione | 65.25 | 0.44 | [54] | 59 | MOL007156 | Tanshinone VI | 45.63 | 0.29 | [55] |
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