| Mol ID | Mol Name | drug | Mol ID | Mol Name | drug |
| MOL001645 | Linoleyl acetate | ChaiHu | MOL011991 | 23-epi-26-deoxyactein_qt | ShengMa |
| MOL002776 | Baicalin | ChaiHu | MOL011999 | 24-epi-acerinol | ShengMa |
| MOL004598 | 3,5,6,7-tetramethoxy-2- |
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| (3,4,5-trimethoxyphenyl)chromone | ChaiHu | MOL012011 | 25-o-acetylcimigenol-3-o-beta-d-glc(1-2)beta-d-xylopyranoside_qt | ShengMa |
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| MOL004609 | Areapillin | ChaiHu | MOL012023 | 7,8-didehydrocimigenol | ShengMa |
| MOL013187 | Cubebin | ChaiHu | MOL012040 | Norkhelloside | ShengMa |
| MOL004624 | Longikaurin A | ChaiHu | MOL012052 | Tuberosine A | ShengMa |
| MOL004628 | Octalupine | ChaiHu | MOL012053 | cimicifugic acid | ShengMa |
| MOL004644 | Sainfuran | ChaiHu | MOL012055 | cimicifugoside_qt | ShengMa |
| MOL004648 | Troxerutin | ChaiHu | MOL012062 | cimigenol | ShengMa |
| MOL004653 | (+)-Anomalin | ChaiHu | MOL012073 | methylcimicifugoside_qt | ShengMa |
| MOL004702 | saikosaponin c_qt | ChaiHu | MOL012078 | visamminol | ShengMa |
| MOL004718 | α-spinasterol | ChaiHu | MOL012081 | (20r,24r)-24,25-epoxy-3-beta-(beta-d-xylopyranosyloxy)-9,19-cyclolanost-7-ene-16,23-dione_qt | ShengMa |
| MOL000490 | petunidin | ChaiHu | MOL001924 | paeoniflorin | ShengMa |
| MOL000211 | Mairin | HuangQi | MOL001925 | paeoniflorin_qt | ShengMa |
| MOL000239 | Jaranol | HuangQi | MOL000359 | sitosterol | ShengMa |
| MOL000296 | hederagenin | HuangQi | MOL001677 | asperglaucide | ZhiMu |
| 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 | HuangQi | MOL003773 | Mangiferolic acid | ZhiMu |
| MOL000371 | 3,9-di-O-methylnissolin | HuangQi | MOL004373 | Anhydroicaritin | ZhiMu |
| MOL000374 | 5’-hydroxyiso-muronulatol-2’,5’-di-O-glucoside | HuangQi | MOL004489 | Anemarsaponin F_qt | ZhiMu |
| MOL000378 | 7-O-methylisomucronulatol | HuangQi | MOL004492 | Chrysanthemaxanthin | ZhiMu |
| MOL000379 | 9,10-dimethoxypterocarpan-3-O-β-D-glucoside | HuangQi | MOL004497 | Hippeastrine | ZhiMu |
| MOL000380 | (6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol | HuangQi | MOL004514 | Timosaponin B III_qt | ZhiMu |
| MOL000387 | Bifendate | HuangQi | MOL004528 | Icariin I | ZhiMu |
| MOL000392 | formononetin | HuangQi | MOL004540 | Anemarsaponin C_qt | ZhiMu |
| MOL000398 | isoflavanone | HuangQi | MOL004542 | Anemarsaponin E_qt | ZhiMu |
| MOL000417 | Calycosin | HuangQi | MOL000546 | diosgenin | ZhiMu |
| MOL000433 | FA | HuangQi | MOL000631 | coumaroyltyramine | ZhiMu |
| MOL000438 | (3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol | HuangQi | MOL005996 | 2-O-methyl-3-O-β-D-glucopyranosyl platycogenate A | JieGeng |
| MOL000439 | isomucronulatol-7,2’-di-O-glucosiole | HuangQi | MOL000006 | luteolin | JieGeng |
| MOL000442 | 1,7-Dihydroxy-3,9-dimethoxy pterocarpene | HuangQi | MOL000098 | quercetin | ChaiHu、HuangQi |
| MOL001689 | acacetin | JieGeng | MOL000354 | isorhamnetin | ChaiHu、HuangQi |
| MOL004355 | Spinasterol | JieGeng | MOL000422 | kaempferol | ChaiHu、HuangQi、ZhiMu |
| MOL006026 | dimethyl 2-O-methyl-3-O-a-D-glucopyranosyl platycogenate A | JieGeng | MOL000449 | Stigmasterol | ChaiHu、ShengMa、ZhiMu |
| MOL006070 | robinin | JieGeng | MOL000483 | (Z)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]acrylamide | ShengMa、ZhiMu |
| MOL004580 | cis-Dihydroquercetin | JieGeng |
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