smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc2c(c1)cc1c(c2[O-])C(=O)c2c([O-])cccc2C1=O ZINC000003850732 181050122 /nfs/dbraw/zinc/05/01/22/181050122.db2.gz WSIPHNSDFAPIKV-UHFFFAOYSA-N -2 3 318.328 3.589 40 10 DHCBHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1 ZINC000000357266 563920444 /nfs/dbraw/zinc/92/04/44/563920444.db2.gz KZYVUYRZKKNESR-UHFFFAOYSA-N -2 3 313.378 3.655 40 10 DHCBHL Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccccc1[O-] ZINC000100929722 563554184 /nfs/dbraw/zinc/55/41/84/563554184.db2.gz CRIAPAQJXSBRAC-WJDWOHSUSA-N -2 3 321.380 3.728 40 10 DHCBHL