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CAS No.	英文名/中文名/SMILES	分子式	分子量
-	Imidazo[1,5-b]oxazin-4-imine - C1=CON2C=NC=C2C1=N	C₆H₅N₃O	135.12
-	[(3S)-3-hydroxybutyl]thiourea - C[C@@H](CCNC(=S)N)O	C₅H₁₂N₂OS	148.23
-	1-(9,12,23-trihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl)ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate - CC1=CNC(=C1C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7O)(O6)O)C)O)CN(CCO4)C)C	C₃₁H₄₂N₂O₇	554.7
-	6-Hydroxy-1-phenyl-5-[(2-pyridin-3-ylpiperidin-1-yl)iminomethyl]pyrimidine-2,4-dione - C1CCN(C(C1)C2=CN=CC=C2)N=CC3=C(N(C(=O)NC3=O)C4=CC=CC=C4)O	C₂₁H₂₁N₅O₃	391.4
-	[4-(4-Hydroxyphenyl)-5-imino-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone - C1=CSC(=C1)C(=O)C2=NN(C(=N)S2)C3=CC=C(C=C3)O	C₁₃H₉N₃O₂S₂	303.4
-	(4-ethyl-7-methyl-2-oxochromen-5-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate - CCC[C@@H](C(=O)OC1=CC(=CC2=C1C(=CC(=O)O2)CC)C)NC(=O)OC(C)(C)C	C₂₂H₂₉NO₆	403.5
-	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol - C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O	C₅₁H₈₄O₂₃	1065.2
-	N-[(1S,2S,4aS,7R,8S,8aS)-7-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-4-carboxamide - C[C@@H]1[C@H](CC[C@]2([C@H]1[C@H]([C@H](CC2)[C@H](C)C(=O)NC3CCCCC3)O)C)NC(=O)C4=CC=NC=C4	C₂₇H₄₁N₃O₃	455.6
-	ethyl (2S,3R)-3-(4-methoxycarbonylphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate - CCOC(=O)[C@@H]1[C@@H](C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)C(=O)OC	C₂₂H₁₈O₇	394.4
-	[4-[4-[Hydroxy(phenyl)boranyl]phenoxy]phenyl]-phenylborinic acid - B(C1=CC=CC=C1)(C2=CC=C(C=C2)OC3=CC=C(C=C3)B(C4=CC=CC=C4)O)O	C₂₄H₂₀B₂O₃	378.0