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=C\c1cc(O)c(O)c(/C=N/[O-])c1 6524377 169315468 /nfs/dbraw/zinc/31/54/68/169315468.db2.gz RVXQVCZJDDAKEE-INWPEIIHSA-N -2 3 196.162 0.714 1 30 ACEFHL O=C([O-])C(=O)C=C([O-])c1cccnc1 101510039 171145884 /nfs/dbraw/zinc/14/58/84/171145884.db2.gz NKHAJKMGOPPFRR-YWEYNIOJSA-N -2 3 193.158 0.791 1 30 ACEFHL