Upon further inspection, HiMap automatically divided the ligands into groups based on the original scaffolds from which the ligands were created. That is, 𝑑 0 ligands were derived from PDB ID: 2Q15 . The 𝑑 1 ligands were derived from ligands in PDB IDs: 3U6A , 5CLM , and 7D2X which share a similar scaffold without insertions or ring size changes; and 𝑑 2 ligands were derived from PDB ID: 6OD6 with a heteroaryl-fused inhibitor. This division of the ligands supports the notion that HiMap rationally subdivides ligands into groups without manual editing by the user.