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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	(1R,1'S,4'S,5R,5'S,6S)-4'-bromo-5'-chloro-3,4,4,5',6-pentamethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,2'-cyclohexane]-1'-ol - CC1=C[C@@H]2[C@@](O2)([C@@]3(C1(C)C)C[C@@H]([C@@](C[C@@H]3O)(C)Cl)Br)C	C₁₆H₂₄BRClO₂	363.7
-	(3R)-3-methyl-7,8-diphenyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10,12,14-pentaen-6-one - C[C@@H]1CN2C3=CC=CC=C3C4=C2N(C1)C(=O)C(=C4C5=CC=CC=C5)C6=CC=CC=C6	C₂₇H₂₂N₂O	390.5
-	(1S,2S,5R,6S,7S)-2-N-cyclohexyl-3-[3-(dimethylamino)propyl]-4-oxo-6-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide - CC(C)C1=CC=C(C=C1)NC(=O)[C@@H]2[C@@H]3C=C[C@@]4([C@@H]2C(=O)N([C@@H]4C(=O)NC5CCCCC5)CCCN(C)C)O3	C₃₀H₄₂N₄O₄	522.7
-	3'-Methoxyisosativanone - COC1=CC2=C(C=C1)C(=O)C(CO2)C3=C(C(=C(C=C3)OC)OC)O	C₁₈H₁₈O₆	330.3
-	2-[(1-Ethylindol-3-yl)methylidene]-6-hydroxy-7-(morpholin-4-ylmethyl)-1-benzofuran-3-one - CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCOCC5	C₂₄H₂₄N₂O₄	404.5
-	[(E)-1-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]propan-2-ylideneamino]urea - C/C(=N\NC(=O)N)/C[C@H]1CC(OC1=O)(C)C	C₁₀H₁₇N₃O₃	227.26
-	N-sulfotyrosine - C1=CC(=CC=C1C[C@@H](C(=O)O)NS(=O)(=O)O)O	C₉H₁₁NO₆S	261.25
-	(2E,6E,11R)-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione - CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)/C=C(\C)/CCC[C@@H](C)C(=O)CC=C(C)C)OC	C₂₈H₄₀O₄	440.6
-	(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid - CC1=C(SC(=N1)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O	C₁₇H₁₇N₃O₃S	343.4
-	(2S)-2-[(2S,3S,4R,5R,6S)-2-hydroxy-6-[[(2R,3R,4R,5S,6R,7R,9S)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethyloxan-2-yl]propanoic acid - C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]3CC[C@@H](O3)[C@@]4([C@@H]([C@H]([C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@H]([C@H]([C@@H]([C@](O6)([C@H](C)C(=O)O)O)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)C)OC)C)C)OC)C)(C)O)C	C₄₇H₈₀O₁₅	885.1