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6-氨基青霉烷酸分子式: C8H12N2O3S 分子量: 216.26IUPAC Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CC1(C(N2C(S1)C(C2=O)N)C(=O)O)CInChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-NInChI: 1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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1-乙酰基-4-(4-羟基苯基)哌嗪CAS号: 67914-60-7 EC号: 267-744-8分子式: C12H16N2O2 分子量: 220.27IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanoneSMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OInChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-NInChI: 1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3
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2-氨基-5-溴吡嗪CAS号: 59489-71-3分子式: C4H4BrN3 分子量: 174IUPAC Name: 5-bromopyrazin-2-amineSMILES: C1=C(N=CC(=N1)Br)NInChIKey: KRRTXVSBTPCDOS-UHFFFAOYSA-NInChI: 1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8)
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N-乙酰-3,5-二碘-L-酪氨酸分子式: C11H11I2NO4 分子量: 475.02IUPAC Name: (2S)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acidSMILES: CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)OInChIKey: CDXURJOCZAIXFK-VIFPVBQESA-NInChI: 1S/C11H11I2NO4/c1-5(15)14-9(11(17)18)4-6-2-7(12)10(16)8(13)3-6/h2-3,9,16H,4H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
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4-氨基-2-氟苯甲酸CAS号: 446-31-1分子式: C7H6FNO2 分子量: 155.13IUPAC Name: 4-amino-2-fluorobenzoic acidSMILES: C1=CC(=C(C=C1N)F)C(=O)OInChIKey: QHERSCUZBKDVOC-UHFFFAOYSA-NInChI: 1S/C7H6FNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
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2-氨基-5-碘吡啶CAS号: 20511-12-0分子式: C5H5IN2 分子量: 220.01IUPAC Name: 5-iodopyridin-2-amineSMILES: C1=CC(=NC=C1I)NInChIKey: IVILGUFRMDBUEQ-UHFFFAOYSA-NInChI: 1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
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β-D-葡萄糖胺五乙酸酯分子式: C16H23NO10 分子量: 389.35IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetateSMILES: CC(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)CInChIKey: OVPIZHVSWNOZMN-OXGONZEZSA-NInChI: 1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15-,16-/m1/s1
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