Data curation. We chose ChEMBL v33 (containing 1.9 million compounds labeled as a "Small molecule") and the Enamine REAL Diverse subset (containing 48.2 million compounds) in order to assess the time necessary for classifying large databases and to compare the distribution of SCINS and scaffold classes between the two. The compounds in the diverse subset of Enamine REAL comply with Lipinski's rule of five (Ro5) and Veber criteria: MW≤500, SlogP≤5, HBA≤10, HBD≤5, RotBonds≤10, and TPSA≤140, and have been filtered