smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(O)cc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000008867365 527597752 /nfs/dbraw/zinc/59/77/52/527597752.db2.gz PMPVVVIIXMDOEB-GKAYAJSDSA-N -2 3 454.435 1.232 10 10 JDCEHL