The ANI-1x database contains both equilibrium and non-equilibrium structures of 5 million small organic molecule structures containing H, C, N, and O, organized by their molecular formula. Remarkably, all structures are neutral and non-zwitterionic. The properties reported in the ANI-1x database correspond to electronic structure calculations for the isolated,in vacuo, molecules and include energies, forces, partial atomic charges and other properties, at various levels of theory. Specifically, we extracted the coordinates of all the 18 non-sulfurcontaining amino acids molecular formulas available in ANI-1x, as well as the corresponding Hirshfeld (ωb97x/6-31G*), CM5 (ωb97x/def2-TZVPP), and MBIS (ωb97x/def2-TZVPP) partial atomic charges. Entries lacking atomic partial charges data were discarded.