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-])c1ccc2[n-]c(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)nc2c1 ZINC000096906696 222137687 /nfs/dbraw/zinc/13/76/87/222137687.db2.gz GXJJJNLFQCVSSV-UHFFFAOYSA-N -2 3 351.274 2.943 1 5 FFBFHL