Chemical identifiers and molecular structures for chemicals with known CASRN from PubChem

The `pubchem_id.db` is a SQLite database containing ~1.6M PubChem compounds with their identifiers and chemical properties. This database is built from the PubChem_CAS_202601.csv file and provides fast local lookup for identifier conversion. This version of the database is based on the `csv` file downloaded from https://pubchem.ncbi.nlm.nih.gov/classification/#hid=72 for compounds that have CAS entries in the Pubchem datasets. You can download it yourself by going to "Names and Identifiers -> Other Identifiers -> CAS". Chemical structure data and identifiers were retrieved from PubChem on 2026-01-07. These data points are considered factual and/or public domain.