RetroRules v1 (2019): SQLite Database providing retrosynthesis rules

This deposit provides the SQLite database snapshot corresponding to the first public release of RetroRules (v1, 2019). RetroRules is a curated collection of reaction rules derived from biochemical reactions, generated at multiple rule diameters (promiscuity levels) and optionally encoding stereochemistry. In this version, the database contains 15 tables and ~6 million entries interlinking reactions, reaction rules, metabolites, associated sequences, and a rule score based on biochemical diversity. All methodological details, data provenance, and usage context are described in the associated RetroRules publication, which should be consulted as the primary reference when interpreting or reusing this dataset.