I compiled top 300 combined hit lists for 16 protein targets, which included eight targets with the heme cofactor and eight without (see above). For each target, both the Vinardo and dkoes scoring functions were applied, resulting in four sets of combined hit lists (Vinardo ± heme, dkoes ± heme). These hit lists represent some of the most important findings of this work and are provided in software-readable CSV format in the Supplementary Material.