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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	2-(5,20,26-Triazaheptacyclo[18.18.1.11,5.02,18.016,39.025,34.027,32]tetraconta-16,25,27,29,31,33,35-heptaen-11-yn-33-yl)ethanamine - C1CCC#CCCCC2=CC3CN4C2C5(C3CCN(C5)CC1)CCC=CC6=C(C7=CC=CC=C7N=C6CCCC4)CCN	C₃₉H₅₂N₄	576.9
-	(3aR,4R,6R,6aR,9S,9aS,9bS)-4,6,9-trihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one - C[C@@]1(CC[C@@H]2[C@H]1[C@@H]3[C@@H]([C@@H](C[C@@]2(C)O)O)C(=C)C(=O)O3)O	C₁₅H₂₂O₅	282.33
-	CID 10581499 - C[C@H]1[C@H]2[C@H](C[C@]3([C@@]2(C)O)[C@@H]4CC[C@H]5CC6=C(C[C@@]5([C@H]4CC3=O)C)N=C7C[C@@H]8CC[C@@H]9[C@@H]([C@]8(CC7=N6)C)CC(=O)[C@]92C[C@H]3[C@@H]([C@]2(C)O)[C@@H]([C@]2(O3)CCC(O2)(C)C)C)O[C@@]11CCC(O1)(C)C	C₅₄H₇₆N₂O₈	881.2
-	2-[(1S,4S,5S)-4-[(benzylcarbamoylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide - CC1=C[C@H]([C@@H](C[C@H]1CC(=O)NCC2=CC=C(C=C2)OC)C(C)C)CNC(=O)NCC3=CC=CC=C3	C₂₉H₃₉N₃O₃	477.6
-	[2-[2-[3-[[5-[[1-[3-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]butan-2-ylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]pyrimidine-4-carbonyl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate - CC(C1=NC(=CS1)C2=NC(=CS2)C(=O)C)C(C)NC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)NC(=O)C6=CC(=NC(=N6)C(CC(=O)N)NCC(C(=O)N)N)N)O	C₅₂H₇₆N₁₆O₂₁S₂	1325.4
-	2,8-dihydroxy-6-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one - COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O	C₂₀H₂₀O₁₁	436.4
-	(10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one - C1CCN2CC3CC([C@@H]2C1)CN4C3=CCCC4=O	C₁₅H₂₂N₂O	246.35
-	(+)-(1R,3R,6S,7S,11S)-3,12-dihydroxy-alpha-muurolene - CC1=CC[C@@H]([C@@H]2[C@H]1C[C@H](C(=C2)C)O)[C@H](C)CO	C₁₅H₂₄O₂	236.35
-	[(1S,3R,6R,7R,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(Z,2R)-4-oxohept-5-en-2-yl]-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methyl hydrogen sulfate - C/C=C\C(=O)C[C@@H](C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@H]([C@@]5(C)COS(=O)(=O)O)O)C)C	C₂₉H₄₆O₆S	522.7
-	Hexacos-10-ene - CCCCCCCCCCCCCCCC=CCCCCCCCCC	C₂₆H₅₂	364.7