Hydrogen bond basicity data: text file with measured pKBHX values, isomeric SMILES strings and literature references
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Text file with 454 measured values of pK<sub>BHX </sub>(see J Med Chem 2009 52:4073-4086) that was published as supplementary information for JCAMD 2017 31:163-181. This supersedes the corresponding file that was published as supplementary information for J Med Chem 2016 59:4728-4288. Column headings are as follows: <br>#SMILES: Isomeric SMILES stringID: Internal referencepKBHX Measured value of pK<sub>BHX</sub>Name: Molecular structure nameRef : CitationRef.URL: Citation URL
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figshare
创建时间：
2020-04-05
