smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000161307059 455557160 /nfs/dbraw/zinc/55/71/60/455557160.db2.gz QXJYCCIFOPBGNW-UHFFFAOYSA-N -2 3 332.356 3.189 10 70 EGIEHL