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(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(OC(F)(F)F)c1 ZINC000792698828 1077977898 /nfs/dbraw/zinc/97/78/98/1077977898.db2.gz RBXZSFJIUVHXTE-UHFFFAOYSA-N -2 2 422.293 2.698 20 10 HFCDLL