smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Nc1cc(C(Cl)=C(Cl)Cl)c(S(=O)(=O)Cl)cc1S(=O)(=O)Cl 100350110 YQBCCKGOIWMSDK-UHFFFAOYSA-N 419.522 3.466 70 30 HGIC