smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N[C@@H](CS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O 169324953 FNDZSOSMRHWRGS-VIFPVBQESA-N 340.354 -0.824 70 1 EBIF