JAZL/ChemGist-CHON

ChemGist CHON数据库是一个化学分子数据集，专注于包含碳(C)、氢(H)、氧(O)和氮(N)元素的化合物。数据集提供了化合物的通用名称、SMILES表示法、InChIKey、同义词以及来自PubChem、ChEBI、ChEMBL和维基百科等权威来源的详细描述。此外，还包括化合物的物理和理论性质数据。示例数据展示了氨的详细信息，包括其物理状态、颜色、气味、沸点、熔点、密度、溶解度等物理性质，以及分子式、分子量、精确质量、形式电荷等理论性质。

The ChemGist CHON Database is a dataset focused on chemical molecules containing carbon (C), hydrogen (H), oxygen (O), and nitrogen (N) elements. It provides common names, SMILES notation, InChIKey, synonyms, and detailed descriptions from authoritative sources such as PubChem, ChEBI, ChEMBL, and Wikipedia for chemical compounds. Additionally, it includes data on the physical and theoretical properties of the compounds. The sample data showcases detailed information about ammonia, including its physical state, color, odor, boiling point, melting point, density, solubility, and other physical properties, as well as theoretical properties like molecular formula, molecular weight, exact mass, formal charge, etc.