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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 C14424
pubchemid 17395424
name 1,6-Dinitropyrene
formula C16H8N2O4
structure
Isomeric_Smiles CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
Cannoical_Smiles CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
Gotenzyme_Smiles O=[N+]([O-])c1ccc2ccc3c([N+](=O)[O-])ccc4ccc1c2c43