To the three compounds 2-4 we applied transformation rules derived from empirical observations, that allow for the introduction of bioisosteres and fragment substitutions/homologations commonly used to build focused libraries . We considered drug-likeness filters applying the construction of new molecules below 500 Da, acceptable range of TPSA, no reactive groups and synthetics feasibility. The structure from DIADS, and 4,650 from PYRDS, yielding a total of 172,026 structures.