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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C04116
pubchemid 6805
name 4-Substituted phenylacetonitrile
formula C8H6NR
structure
Isomeric_Smiles C1=CC(=C(C(=C1Cl)CC(=O)O)Cl)Cl
Cannoical_Smiles C1=CC(=C(C(=C1Cl)CC(=O)O)Cl)Cl
Gotenzyme_Smiles *c1ccc(CC#N)cc1