We first generated up to 200 conformers for each of the building blocks in the library using the Omega toolkit (v.2021.1.1). We maintained the same settings as the defaults in the Classic OMEGA floe on Orion (Spring 2020), but restricted the stereochemistry of input molecules. For building blocks with un-specified stereochemistry, we used the OEFlipper function in Omega to enumerate all possible stereoisomers and generated up to 200 conformers for each of them.