smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features BBBBBBBBBB1C(c2ccc(C(=O)Nc3ccccc3)cc2)=C1c1ccc(C(=O)Nc2ccccc2)cc1 225012335 MEKXWPSRMUVTOO-UHFFFAOYSA-N 534.680 -0.369 70 50 KBIA