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双(2-乙己基)磺基丁二酸钠(AOT)分子式: C20H37NaO7S 分子量: 444.56IUPAC Name: sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonateSMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]InChIKey: APSBXTVYXVQYAB-UHFFFAOYSA-MInChI: InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
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阿拉酸式苯-S-甲基(活化酯)CAS号 : 135158-54-2 Compound CID : 86412分子式: C8H6N2OS2 分子量: 210.28IUPAC Name: S-methyl 1,2,3-benzothiadiazole-7-carbothioateSMILES: CSC(=O)C1=C2C(=CC=C1)N=NS2InChIKey: UELITFHSCLAHKR-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3
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4-(2-氨乙基)苯磺酰氟盐酸盐(AEBSF)CAS号 : 30827-99-7 Compound CID : 186136分子式: C8H10FNO2S · HCl 分子量: 239.69IUPAC Name: 4-(2-aminoethyl)benzenesulfonyl fluoride;hydrochlorideSMILES: C1=CC(=CC=C1CCN)S(=O)(=O)F.ClInChIKey: WRDABNWSWOHGMS-UHFFFAOYSA-NInChI: InChI=1S/C8H10FNO2S.ClH/c9-13(11,12)8-3-1-7(2-4-8)5-6-10;/h1-4H,5-6,10H2;1H
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5-氟-1,3-二氢-1-羟基-2,1-苯并氧杂硼戊环CAS号 : 174671-46-6 Compound CID : 11499245分子式: C7H6BFO2 分子量: 151.93IUPAC Name: 5-fluoro-1-hydroxy-3H-2,1-benzoxaboroleSMILES: B1(C2=C(CO1)C=C(C=C2)F)OInChIKey: LFQDNHWZDQTITF-UHFFFAOYSA-NInChI: InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
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穿心莲内酯分子式: C20H30O5 分子量: 350.45IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-oneSMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OInChIKey: BOJKULTULYSRAS-OTESTREVSA-NInChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
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青蒿琥酯CAS号 : 88495-63-0 Compound CID : 6917864分子式: C19H28O8 分子量: 384.42IUPAC Name: 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acidSMILES: CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)CInChIKey: FIHJKUPKCHIPAT-AHIGJZGOSA-NInChI: InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
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阿苯达唑CAS号 : 54965-21-8 Compound CID : 2082分子式: C12H15N3O2S 分子量: 265.33IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamateSMILES: CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OCInChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-NInChI: InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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阿苯达唑氧化物CAS号 : 54029-12-8 Compound CID : 83969分子式: C12H15N3O3S 分子量: 281.33IUPAC Name: methyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamateSMILES: CCCS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OCInChIKey: VXTGHWHFYNYFFV-UHFFFAOYSA-NInChI: InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
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青蒿素CAS号 : 63968-64-9 Compound CID : 68827分子式: C15H22O5 分子量: 282.33IUPAC Name: (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-oneSMILES: CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)CInChIKey: BLUAFEHZUWYNDE-NNWCWBAJSA-NInChI: InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
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长川霉素CAS号 : 104987-12-4 Compound CID : 5282071分子式: C43H69NO12 分子量: 792.01IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-17-ethyl-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetroneSMILES: CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)CInChIKey: ZDQSOHOQTUFQEM-NURRSENYSA-NInChI: InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
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