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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	ethyl (2R,3R)-2-acetamido-3-(3-aminophenyl)-3-hydroxypropanoate - CCOC(=O)[C@@H]([C@@H](C1=CC(=CC=C1)N)O)NC(=O)C	C₁₃H₁₈N₂O₄	266.29
-	(3beta)-cholest-5-en-3-yl [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate - CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)O[C@H]3CC[C@@]4([C@H]5CC[C@]6([C@H]([C@@H]5CC=C4C3)CC[C@@H]6[C@H](C)CCCC(C)C)C)C	C₃₉H₅₄O₅	602.8
-	(1R,9R)-5-nitro-11-(3-phenylpropanoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one - C1[C@@H]2CN(C[C@@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)CCC4=CC=CC=C4	C₂₀H₂₁N₃O₄	367.4
-	(2R,3R,4S,5R)-2-[6-amino-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol - C1=CC(=CC(=C1)[N+](=O)[O-])/C=N\NC2=NC3=C(N=CN=C3N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N	C₁₇H₁₈N₈O₆	430.4
-	2-chloro-N-(4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]sulfonyl}phenyl)benzamide - C1[C@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl	C₂₄H₂₂ClN₃O₄S	484.0
-	4-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl}amino)butanoic acid - CC(C)C[C@@H](C(=O)NCCCC(=O)O)NC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C	C₃₁H₄₁N₃O₈	583.7
-	3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-[3-(5-methoxy-1H-indol-1-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide - C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=C(C(=C2C(=O)O1)O)C(CC(=O)NCCCN3C=CC4=C3C=CC(=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC)O	C₄₂H₅₀N₂O₁₀	742.9
-	[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl] acetate - C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)C)C)NC1	C₂₉H₄₅NO₃	455.7
-	6-Acetyl-5-hydroxy-4-methyl-10-(4-((2-methylallyl)oxy)phenyl)-9,10-dihydropyrano[2,3-f]chromene-2,8-dione - CC1=CC(=O)OC2=C3C(CC(=O)OC3=C(C(=C12)O)C(=O)C)C4=CC=C(C=C4)OCC(=C)C	C₂₅H₂₂O₇	434.4
-	N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-methylbenzamide - CN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=CC=C3	C₁₉H₁₈N₂O₃	322.4