Chiral DES database

This is a database of mixtures of hydrogen bond acceptors (HBA) and chiral hydrogen bond donors (HBD) to screen for potential deep eutectic solvent (DES) formation. Mole ratios of HBA-HBD were mixed and heated to 55 C for ~ 2 hours. The mixtures were then allowed to cool to 20 C. The results are recorded in the database as yes (liquid), no (solid), or partial (mostly liquid with some solid). All HBA and HBDs are entered by chemical name and by isomeric SMILES.Latest version as Excel file or CSV file本数据集为氢键受体（hydrogen bond acceptors, HBA）与手性氢键供体（chiral hydrogen bond donors, HBD）的混合体系数据库，旨在筛选潜在的低共熔溶剂（deep eutectic solvent, DES）形成体系。将HBA与HBD按摩尔比混合后，加热至55℃并维持约2小时，随后将混合物冷却至20℃。数据库以三种状态记录实验结果：“是”（呈液态）、“否”（呈固态）以及“部分”（大部分为液态且伴随少量固态）。所有HBA与HBD均通过化学名称及同分异构SMILES格式录入。最新版本可通过Excel文件或CSV文件获取。