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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	3-methoxy-2-[(2R)-1-methylpyrrolidin-2-yl]benzoic acid - CN1CCC[C@@H]1C2=C(C=CC=C2OC)C(=O)O	C₁₃H₁₇NO₃	235.28
-	(4R)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]cyclohexene-1-carboxylic acid - C[C@H](CC(=O)CC(C)C)[C@@H]1CCC(=CC1)C(=O)O	C₁₅H₂₄O₃	252.35
-	4-bromo-2-[(5S)-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol - C1[C@H](NN=C1C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)Cl)Cl	C₁₅H₁₁BRCl₂N₂O	386.1
-	CID 163189054 - C[C@@H]([C@@H]([C@H]1C[C@H]1C2=C([C@H]3[C@@H](O2)C[C@@H](O3)C=C=CBr)Br)Cl)O	C₁₅H₁₇BR₂ClO₃	440.55
-	7-Dehydropregnenolone - CC(=O)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C	C₂₁H₃₀O₂	314.5
-	(5,7-Dihydroxy-3-methoxy-4-oxo-2-phenylchromen-8-yl) 2-methylbut-2-enoate - CC=C(C)C(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC=CC=C3)O)O	C₂₁H₁₈O₇	382.4
-	N-[(3R)-3-(4-chlorophenyl)-4-(L-valylamino)butanoyl]-L-valine - CC(C)[C@@H](C(=O)NC[C@H](CC(=O)N[C@@H](C(C)C)C(=O)O)C1=CC=C(C=C1)Cl)N	C₂₀H₃₀ClN₃O₄	411.9
-	[(2S)-1-decanoyloxy-3-tetradecanoyloxypropan-2-yl] 15-methylhexadecanoate - CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCC(C)C	C₄₄H₈₄O₆	709.1
-	Frustulosinol - CC(=C)C#CC1=C(C=CC(=C1CO)O)O	C₁₂H₁₂O₃	204.22
-	[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate - C1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O	C₁₅H₂₄N₂O₁₇P₂	566.30