smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c([C@H](Nc2cccc[nH+]2)n2nnc3ccccc32)c1 ZINC000059488689 569605552 /nfs/dbraw/zinc/60/55/52/569605552.db2.gz WSNWDRCLQXBSLW-XMMPIXPASA-N 2 2 474.525 2.508 40 5 JFBBLP O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c([C@@H](Nc2cccc[nH+]2)n2nnc3ccccc32)c1 ZINC000059488688 569605604 /nfs/dbraw/zinc/60/56/04/569605604.db2.gz WSNWDRCLQXBSLW-DEOSSOPVSA-N 2 2 474.525 2.508 40 5 JFBBLP