We use the "atom attribution from finger prints"-method developed by Riniker and Landrum and also test the dummy-atom approach as implemented by Jimenez-Luna et al. Both methods are described in more details in the following section. The atom attributions are visualised as colored contour plots, with magenta-colored dotted and green-colored solid contour lines for negative and positive contributions, respectively. When drawing the maps of the atomic contributions the number of contour lines from minimum to maximum value needs to be set. This is set so that each contour line approximately represents a 0.06 change: N contour = acmax-acmin 0.06