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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	1-[4-[[(2R,3R,4R)-2-[(4-tert-butyltriazol-1-yl)methyl]-4-hydroxyoxolan-3-yl]amino]piperidin-1-yl]ethanone - CC(=O)N1CCC(CC1)N[C@@H]2[C@H](CO[C@@H]2CN3C=C(N=N3)C(C)(C)C)O	C₁₈H₃₁N₅O₃	365.5
-	N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]cyclohexanecarboxamide - CC(C)NC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C4CCCCC4	C₂₆H₄₁N₃O₄S	491.7
-	(4aR,7aS)-6-(oxan-4-yl)-4-(pyridin-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one - C1COCCC1N2C[C@@H]3[C@H](C2)OCC(=O)N3CC4=CC=CC=N4	C₁₇H₂₃N₃O₃	317.4
-	O-[[(3S,3aR,6R,6aS)-3-[5-(furan-2-ylmethylsulfanyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]] N-(3-cyanophenyl)carbamothioate - C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=S)NC3=CC=CC(=C3)C#N)N4C(=NN=N4)SCC5=CC=CO5	C₂₀H₁₈N₆O₄S₂	470.5
-	Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]a-Glc - C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)O)O)CO)CO)O)CO)O)O)O	C₃₈H₆₅NO₂₉	999.9
-	(2R,3R,4S,5S,6R)-2-[(E)-3-[4-[(1S,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol - COC1=CC(=CC(=C1O[C@H](CO)[C@H](C2=CC(=C(C=C2)O)OC)O)OC)/C=C/CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O	C₂₇H₃₆O₁₃	568.6
-	Boc-Tyr(Boc)-Ala-Gly-Gly-OEt - CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	C₂₈H₄₂N₄O₁₀	594.7
-	N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]pyridine-3-carboxamide - CN1[C@@H]([C@H](OCC1=O)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3)CO	C₁₈H₁₉N₃O₄	341.4
-	(3S)-5-methoxy-1-methyl-1'-[2-(4-methylphenyl)acetyl]spiro[indole-3,3'-pyrrolidine]-2-one - CC1=CC=C(C=C1)CC(=O)N2CC[C@@]3(C2)C4=C(C=CC(=C4)OC)N(C3=O)C	C₂₂H₂₄N₂O₃	364.4
-	4-(4-Hydroxy-3-methoxybenzylidene)-3-phenylisoxazol-5(4h)-one - COC1=C(C=CC(=C1)C=C2C(=NOC2=O)C3=CC=CC=C3)O	C₁₇H₁₃NO₄	295.29