There is much information in a gold docking output mol2 file. The GOLD output mol2 files not only carry the coordinates and conformation of the poses but also detailed ligand and amino acid information, bond information, amino acids in the cavity, and other information. Docking score values are from modeled interactions of true inter-atomic interactions and are not true to 2 significant digits. The numbers are kept to this precision to reflect GOLD output and all distributions used rounded integer numbers of score values S(PLP)). The files in Supplementary Information have these values to 2 significant digits. The overall docking score summary of each molecule in this work is quoted in terms of: