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(Nc1ccc(NC2=[NH+]CCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=[NH+]CCN3)cc2)c([N+](=O)[O-])c1 ZINC000001694064 551689690 /nfs/dbraw/zinc/68/96/90/551689690.db2.gz MHFMNXJOPPOQBO-UHFFFAOYSA-N 2 2 527.545 2.842 40 5 KFBBLP O=[N+]([O-])c1ccccc1C[NH+]1CCOCCOCC[NH+](Cc2ccccc2[N+](=O)[O-])CCOCCOCC1 ZINC000016449575 553565136 /nfs/dbraw/zinc/56/51/36/553565136.db2.gz QROHHPRMYNVAPH-UHFFFAOYSA-N 2 2 532.594 2.887 40 5 KFBBLP