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-])c1ccc(Sc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000078406567 201185525 /nfs/dbraw/zinc/18/55/25/201185525.db2.gz YDVSGPTTWSWIBL-UHFFFAOYSA-N -1 2 334.235 2.581 40 5 EFBBLM O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[nH]1 ZINC000078406598 217048640 /nfs/dbraw/zinc/04/86/40/217048640.db2.gz FHFZXOWKSRDZKZ-UHFFFAOYSA-N -1 2 334.235 2.581 40 5 EFBBLM