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 ZINC000026495049 563028667 /nfs/dbraw/zinc/02/86/67/563028667.db2.gz FEZWPBDUNJUSES-MRXNPFEDSA-N -4 1 498.489 -1.491 1 10 JACFML