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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	[(10R,13R,17R)-17-(3,4-dihydroxy-5-methoxyphenyl)-10-ethyl-15-oxo-6,21,23-triazatricyclo[20.3.1.04,8]hexacosa-1(26),4(8),6,22,24-pentaen-18-yn-13-yl] acetate - CC[C@@H]1CC[C@H](CC(=O)C[C@@H](C#CCNC2=NC=CC(=C2)CCC3=C(C1)C=NC3)C4=CC(=C(C(=C4)OC)O)O)OC(=O)C	C₃₄H₄₁N₃O₆	587.7
-	1-[(3S,3aR,6S,6aR)-3-[[4-(4-phenylphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-prop-2-enylurea - C=CCNC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5	C₂₆H₂₇N₅O₃	457.5
-	methyl (Z)-5-[(1R,4aS,6R,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoate - C/C(=C/C(=O)OC)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CC[C@H](C2(C)C)O)C	C₂₁H₃₄O₃	334.5
-	N-[[(2R,4S,5R)-5-[5-[4-(dimethylamino)phenyl]-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiophene-2-carboxamide - CN1C(=CC(=N1)C2=CC=C(C=C2)N(C)C)[C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)C5=CC=CS5	C₂₅H₃₁N₅OS	449.6
-	8-[2-(4-Chlorophenoxy)acetyl]-2-ethyl-1-oxa-2,8-diazaspiro[4.5]decan-3-one - CCN1C(=O)CC2(O1)CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl	C₁₇H₂₁ClN₂O₄	352.8
-	1'-(2-methylpyrimidin-4-yl)-3-oxo-N-propan-2-ylspiro[5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-1,4'-piperidine]-7-carboxamide - CC1=NC=CC(=N1)N2CCC3(CC2)C4CN(CCN4C(=O)O3)C(=O)NC(C)C	C₁₉H₂₈N₆O₃	388.5
-	5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one - C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O	C₂₁H₂₀O₁₀	432.4
-	1-[(1S)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]butan-1-one - CCCC(=O)[C@H]1CCC(=CC1)CCC=C(C)C	C₁₆H₂₆O	234.38
-	D-Ara(b1-4)D-Ara(b1-3)b-D-Ara1Me - CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O[C@H]2[C@H]([C@@H]([C@@H](CO2)O[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)O)O)O	C₁₆H₂₈O₁₃	428.39
-	(2R)-2-amino-2-methyl-3-(1,2,4-triazol-1-yl)propanoic acid - C[C@@](CN1C=NC=N1)(C(=O)O)N	C₆H₁₀N₄O₂	170.17