Conformer generation with xTB optimization and clustering took around 4 minutes per molecule, and produced a median of 15 conformers. This meant that over half of the compounds produced the maximum number of conformers. Shielding constant calculations took around 55 minutes per ensemble of conformers. A rough estimate of the effort involved to process the Enamine test set therefore comes to about 1000 CPU hours. The calculations are trivially parallelizable and run overnight on our internal computer cluster. Nonetheless, it is important to note that only processing OOD samples in the Enamine test set reduces the computational load down to one quarter of that.