Pseudo-valence electron densities computed at the DFT/PBE/SBKJC-LFK level. Density values are stored on atom-centered spherical grids made of 200 equispaced shells spanning a radial distance of 6 angstrom. Each shell consists of a Lebedev grid with 2030 points. Each file is labelled according to the molecule in the dataset and to the atom included in each molecule, following the XYZ sorting. Each file includes, in the first row, the number of radial grid-points together with the radial spacing (in Bohr); in the second row, the position of the atom within the molecule (in Bohr). The following 2030 rows include the position of the grid-points for the Lebedev unit sphere together with the integration weights associated with each grid point in the last column. Finally, the density values (in e/Bohr^3) are stored following a concentric shell convention from 0 to 6 angstrom.