An energy cutoff of 500 kcal/mol was used in Confab, with up to one million conformers and a root mean square deviation clustering threshold of 0.05 Å; all other Confab parameters were left as their default values. The RMSD cutoff of 0.05 Å was used so as to eliminate duplicate conformers with identical geometry to existing conformers. Note that only one compound (cochliodinol, a molecule with six rotatable bonds) would have generated more than one million conformers (1,327,104).