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                        亚胺培南(一水物)分子式: C12H17N3O4S · H2O 分子量: 317.36IUPAC Name: (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrateSMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.OInChIKey: GSOSVVULSKVSLQ-JJVRHELESA-NInChI: 1S/C12H17N3O4S.H2O/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17;/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19);1H2/t6-,7-,9-;/m1./s1
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                        胆固醇分子式: C27H46O 分子量: 386.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CInChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-NInChI: 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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                        头孢磺啶钠盐水合物CAS号: 52152-93-9分子式: C22H19N4NaO8S2·xH2O 分子量: 554.52(as Anhydrous)IUPAC Name: sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N.[Na+]InChIKey: REACMANCWHKJSM-DWBVFMGKSA-MInChI: See more
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                        N-羟乙酰神经氨酸(Neu5Gc)CAS号: 1113-83-3分子式: C11H19NO10 分子量: 325.27IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidSMILES: C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)OInChIKey: FDJKUWYYUZCUJX-AJKRCSPLSA-NInChI: 1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
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                        阿来西定 二盐酸盐分子式: C26H58Cl2N10 分子量: 581.71IUPAC Name: 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine;dihydrochlorideSMILES: CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl.ClInChIKey: BRJJFBHTDVWTCJ-UHFFFAOYSA-NInChI: 1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H
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                        A22盐酸盐CAS号: 22816-60-0 Compound CID : 2830968分子式: C8H9Cl3N2S 分子量: 271.59IUPAC Name: (3,4-dichlorophenyl)methyl carbamimidothioate;hydrochlorideSMILES: C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.ClInChIKey: VBJNMXMOMSWRDV-UHFFFAOYSA-NInChI: 1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
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                        JFD01307SC,谷氨酰胺合成酶抑制剂和抗结核剂CAS号: 51070-56-5分子式: C6H11NO4S 分子量: 193.22IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)amino]acetic acidSMILES: C1CS(=O)(=O)CC1NCC(=O)OInChIKey: NLJKAAYXSDTMSI-UHFFFAOYSA-NInChI: 1S/C6H11NO4S/c8-6(9)3-7-5-1-2-12(10,11)4-5/h5,7H,1-4H2,(H,8,9)
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                        8-氟-4-羟基喹啉-3-羧酸CAS号: 32434-42-7 Compound CID : 25112190分子式: C16H21Cl2N3O3 分子量: 374.26IUPAC Name: 3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;dihydrochlorideSMILES: C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O.Cl.ClInChIKey: RDUHYEILHQUTIR-AMTWEWDESA-NInChI: 1S/C16H19N3O3.2ClH/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22;;/h1-2,4-5,10,14-15,17,21H,3,6-9H2;2*1H/t14-,15+;;/m1../s1
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                        ML-SA1,TRPML激动剂CAS号: 332382-54-4分子式: C22H22N2O3 分子量: 362.42IUPAC Name: 2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dioneSMILES: CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)CInChIKey: KDDHBJICVBONAX-UHFFFAOYSA-NInChI: 1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
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                        BRACO 19 三盐酸盐CAS号: 1177798-88-7 Compound CID : 10349800分子式: C35H43N7O2•3HCl 分子量: 703.14IUPAC Name: N-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide;trihydrochlorideSMILES: CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6.Cl.Cl.ClInChIKey: MJAPNWJRLLDPAB-UHFFFAOYSA-NInChI: See more
 
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