smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)[C@H](CC)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000019909197 211261865 /nfs/dbraw/zinc/26/18/65/211261865.db2.gz BXTFSGKMQHFUMN-OKILXGFUSA-N -2 0 360.366 4.602 50 5 FJBARL CC[C@H](c1ccc([O-])c([N+](=O)[O-])c1)[C@H](CC)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000003122439 571344907 /nfs/dbraw/zinc/34/49/07/571344907.db2.gz BXTFSGKMQHFUMN-ZIAGYGMSSA-N -2 0 360.366 4.602 50 5 FJBARL CC[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](CC)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000003122436 571344871 /nfs/dbraw/zinc/34/48/71/571344871.db2.gz BXTFSGKMQHFUMN-KBPBESRZSA-N -2 0 360.366 4.602 50 5 FJBARL