The Zenodo repository contains the complete CSV datasets underlying all main-text and Supporting Information figures and tables of the manuscript, including raw and processed GC/LC peak data, calibration data, and calculated conversions (with means and standard deviations) for a broad set of biocatalytic reactions across enzymes, substrates, solvent systems, temperatures, and concentrations. Data cover substrate scope studies, solvent and substrate-load effects, time courses, comparative enzyme performance, and additional enzyme classes (ADHs, KREDs, IREDs, transaminases, and CalB), alongside molecular dynamics–derived structural metrics and energy calculations. Conversions were calculated using substrate depletion or response-factor–corrected product/substrate quantification based on external calibrations, with all experiments performed in at least duplicate (often triplicate), and raw GC/LC calibration files are provided to ensure full transparency and reproducibility.