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+]([O-])c1cc(-c2cccc(C(F)(F)F)c2F)ccc1O ZINC000095494985 185373807 /nfs/dbraw/zinc/37/38/07/185373807.db2.gz BQFKKNKAUYNFSA-UHFFFAOYSA-N 0 2 301.195 4.125 10 5 DIBELN O=[N+]([O-])c1cc(-c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC000095494986 185373988 /nfs/dbraw/zinc/37/39/88/185373988.db2.gz KJXWUARTLVTKPA-UHFFFAOYSA-N 0 2 301.195 4.125 10 5 DIBELN