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-])c1c2c(sc1NC(=O)c1cc(S(=O)(=O)F)c[n-]1)CCCC2 ZINC001574614219 962208137 /nfs/dbraw/zinc/20/81/37/962208137.db2.gz JDQPFNSPNAENFF-UHFFFAOYSA-N -2 0 372.399 2.564 20 70 FFIDRL