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)Oc1ccc(/N=N/c2ccc(OS(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)[O-] ZINC000048533924 569846242 /nfs/dbraw/zinc/84/62/42/569846242.db2.gz DDMIGMIBUBHEMJ-OCOZRVBESA-N -1 2 485.478 3.868 10 0 JHAELM O=C([O-])C(=O)C=C(O)c1ccc(-c2ccc(SCC3(O)COc4ccccc4OC3)cc2)cc1 ZINC000028218415 563057836 /nfs/dbraw/zinc/05/78/36/563057836.db2.gz UEOJQYVDBAHYRQ-UHFFFAOYSA-N -1 2 478.522 3.875 10 0 JHAELM