smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000253387964 572282896 /nfs/dbraw/zinc/28/28/96/572282896.db2.gz YWHUQKVJEWMJES-ZNZIZOMTSA-N 1 3 653.741 1.696 10 5 KDBEHO