The runs that generated the data presented here were performed in December 2019 -January 2020 on the NIH Biowulf system, a Linux cluster of several tens of thousands of cores 80 . Due to the "embarrassingly parallel" nature of the SAVI product generation runs (each reactant pair can be processed independently of all others), the entire job was split into nearly 69,000 subjobs, with 4,000 run simultaneously at any time (which was the per-user limit of jobs on Biowulf). The output of the jobs, both the structure data and the annotations, was first written to text files (CSV), which were then loaded into a PostgreSQL database, where it can be queried and analyzed, and whence other formats such as SDF and SMILES lists can be written. A total of about 2,084,000 CPU hours on Biowulf were used to generate this 2020 version of the SAVI database.