smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000095494987 304223817 /nfs/dbraw/zinc/22/38/17/304223817.db2.gz LETSWPBKISALJA-UHFFFAOYSA-N -2 2 303.226 2.364 10 5 DEBELL