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小分子和化合物库
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2,6-二氨基吡嗪CAS号: 41536-80-5分子式: C4H6N4 分子量: 110.12IUPAC Name: pyrazine-2,6-diamineSMILES: C1=C(N=C(C=N1)N)NInChIKey: GYRUCENCQMAGLO-UHFFFAOYSA-NInChI: 1S/C4H6N4/c5-3-1-7-2-4(6)8-3/h1-2H,(H4,5,6,8)
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(4-氨基-苯基)-磷酸二乙酯CAS号: 42822-57-1分子式: C10H16NO3P 分子量: 229.21IUPAC Name: 4-diethoxyphosphorylanilineSMILES: CCOP(=O)(C1=CC=C(C=C1)N)OCCInChIKey: OIGQTUBEBRLSOX-UHFFFAOYSA-NInChI: 1S/C10H16NO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
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4,4-二氟环己基胺CAS号: 458566-84-2分子式: C6H11F2N 分子量: 135.16IUPAC Name: 4,4-difluorocyclohexan-1-amineSMILES: C1CC(CCC1N)(F)FInChIKey: MQOFXVWAFFJFJH-UHFFFAOYSA-NInChI: 1S/C6H11F2N/c7-6(8)3-1-5(9)2-4-6/h5H,1-4,9H2
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4-(4-二甲基氨基苯乙烯基)-1-甲基吡啶鎓碘化物CAS号: 48174-78-3分子式: C16H19N2 分子量: 366.2399IUPAC Name: N,N-dimethyl-4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]anilineSMILES: C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)CInChIKey: WVKVDDALQQZUGC-UHFFFAOYSA-NInChI: 1S/C16H19N2/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15/h4-13H,1-3H3/q+1
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2-(2,6-二氧代 - 哌啶-3-基)-4-羟基 - 异吲哚-1,3-二酮CAS号: 5054-59-1分子式: C13H10N2O5 分子量: 274.23IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OInChIKey: XMPJICVFSDYOEG-UHFFFAOYSA-NInChI: 1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
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3,3' - 二硫代双(丙酰肼)CAS号: 50906-77-9分子式: C6H14N4O2S2 分子量: 238.33IUPAC Name: 3-[(3-hydrazinyl-3-oxopropyl)disulfanyl]propanehydrazideSMILES: C(CSSCCC(=O)NN)C(=O)NNInChIKey: GYQOUZKNOIHPOP-UHFFFAOYSA-NInChI: 1S/C6H14N4O2S2/c7-9-5(11)1-3-13-14-4-2-6(12)10-8/h1-4,7-8H2,(H,9,11)(H,10,12)
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6-氯吲哚啉CAS号: 52537-00-5分子式: C8H8NCl 分子量: 153.61IUPAC Name: 6-chloro-2,3-dihydro-1H-indoleSMILES: C1CNC2=C1C=CC(=C2)ClInChIKey: HSLNYVREDLDESE-UHFFFAOYSA-NInChI: 1S/C8H8ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
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43 2-（26-二氧代哌啶-3-基）-5-硝基异吲哚-13-二酮CAS号: 55003-81-1分子式: C13H9N3O6 分子量: 303.23IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-nitroisoindole-1,3-dioneSMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]InChIKey: MYPNWKPZEHVONN-UHFFFAOYSA-NInChI: 1S/C13H9N3O6/c17-10-4-3-9(11(18)14-10)15-12(19)7-2-1-6(16(21)22)5-8(7)13(15)20/h1-2,5,9H,3-4H2,(H,14,17,18)
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3-溴-4-氰基苯甲酸CAS号: 58123-69-6分子式: C8H4BrNO2 分子量: 226.029IUPAC Name: 3-bromo-4-cyanobenzoic acidSMILES: C1=CC(=C(C=C1C(=O)O)Br)C#NInChIKey: WAFUFPLTXVDCNT-UHFFFAOYSA-NInChI: 1S/C8H4BrNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
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4-苄基噁唑烷-25-二酮CAS号: 583-47-1分子式: C10H9NO3 分子量: 191.18IUPAC Name: 4-benzyl-1,3-oxazolidine-2,5-dioneSMILES: C1=CC=C(C=C1)CC2C(=O)OC(=O)N2InChIKey: GQBIVYSGPXCELZ-UHFFFAOYSA-NInChI: 1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)
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3-氨基-3-(4-羟基苯基)丙酸CAS号: 6049-54-3分子式: C9H11NO3 分子量: 181.19IUPAC Name: 3-amino-3-(4-hydroxyphenyl)propanoic acidSMILES: C1=CC(=CC=C1C(CC(=O)O)N)OInChIKey: JYPHNHPXFNEZBR-UHFFFAOYSA-NInChI: 1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
