smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219913 717132472 /nfs/dbraw/zinc/13/24/72/717132472.db2.gz DQZOMYHEBVDINY-JGVFFNPUSA-O 0 0 222.692 0.937 40 50 BCGBRN CC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219915 717132710 /nfs/dbraw/zinc/13/27/10/717132710.db2.gz DQZOMYHEBVDINY-YUMQZZPRSA-O 0 0 222.692 0.937 40 50 BCGBRN CC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219912 717132690 /nfs/dbraw/zinc/13/26/90/717132690.db2.gz DQZOMYHEBVDINY-HTQZYQBOSA-O 0 0 222.692 0.937 40 50 BCGBRN CC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000064219914 717132448 /nfs/dbraw/zinc/13/24/48/717132448.db2.gz DQZOMYHEBVDINY-SFYZADRCSA-O 0 0 222.692 0.937 40 50 BCGBRN