smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(C[C@@H](C[N@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000026495045 563028648 /nfs/dbraw/zinc/02/86/48/563028648.db2.gz FEZWPBDUNJUSES-INIZCTEOSA-N -4 0 498.489 -1.491 10 10 JACERL