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醋酸马芬尼特CAS号 : 13009-99-9 Compound CID : 25590分子式: C9H14N2O4S 分子量: 246.28IUPAC Name: acetic acid;4-(aminomethyl)benzenesulfonamideSMILES: CC(=O)O.C1=CC(=CC=C1CN)S(=O)(=O)NInChIKey: UILOTUUZKGTYFQ-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)
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2-甲基-4-异噻唑啉-3-酮 盐酸盐（MIT盐酸盐）CAS号 : 26172-54-3 Compound CID : 117746分子式: C4H5NOS · HCl 分子量: 151.61IUPAC Name: 2-methyl-1,2-thiazol-3-one;hydrochlorideSMILES: CN1C(=O)C=CS1.ClInChIKey: SJXPQSRCFCPWQQ-UHFFFAOYSA-NInChI: InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H
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甲环素磺基水杨酸盐CAS号 : 73816-42-9 Compound CID : 54676538分子式: C22H21ClN2O8 · C7H6O6S 分子量: 695.05IUPAC Name: (4S,4aR,5S,5aR,12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-hydroxy-5-sulfobenzoic acidSMILES: CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)OInChIKey: WVJKUGVVYXCLFV-CCHMMTNSSA-NInChI: InChI=1S/C22H21ClN2O8.C7H6O6S/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-5,10,14-15,17,26-28,31,33H,1H2,2-3H3,(H2,24,32);1-3,8H,(H,9,10)(H,11,12,13)/t10-,14-,15+,17+,22+;/m1./s1
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诺氟沙星 (MK-0366)CAS号 : 70458-96-7 Compound CID : 4539分子式: C16H18FN3O3 分子量: 319.33IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acidSMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)OInChIKey: OGJPXUAPXNRGGI-UHFFFAOYSA-NInChI: InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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硝呋太尔分子式: C10H11N3O5S 分子量: 285.28IUPAC Name: 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-oneSMILES: CSCC1CN(C(=O)O1)N=CC2=CC=C(O2)[N+](=O)[O-]InChIKey: SRQKTCXJCCHINN-NYYWCZLTSA-NInChI: InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
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硝呋齐特分子式: C12H9N3O5 分子量: 275.22IUPAC Name: 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamideSMILES: C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])OInChIKey: YCWSUKQGVSGXJO-NTUHNPAUSA-NInChI: InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
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新生霉素（钠盐）分子式: C31H35N2NaO11 分子量: 634.61IUPAC Name: sodium;4-[[7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-(3-methylbut-2-enyl)phenolateSMILES: CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)[O-])CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Na+]InChIKey: WWPRGAYLRGSOSU-UHFFFAOYSA-MInChI: InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1
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那氟沙星CAS号 : 124858-35-1 Compound CID : 4410分子式: C19H21FN2O4 分子量: 360.38IUPAC Name: 7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acidSMILES: CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)OInChIKey: JYJTVFIEFKZWCJ-UHFFFAOYSA-NInChI: InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)
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氯硝柳胺分子式: C13H8Cl2N2O4 分子量: 327.12IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamideSMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OInChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-NInChI: InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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萘啶酸 钠盐分子式: C12H11N2NaO3 分子量: 254.22IUPAC Name: sodium;1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylateSMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+]InChIKey: ROKRAUFZFDQWLE-UHFFFAOYSA-MInChI: InChI=1S/C12H12N2O3.Na/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14;/h4-6H,3H2,1-2H3,(H,16,17);/q;+1/p-1
