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(Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(S(=O)(=O)F)cc1 ZINC000043379913 563169770 /nfs/dbraw/zinc/16/97/70/563169770.db2.gz HGVTWAVCJVRBFK-UMNHJUIQSA-N -1 3 462.412 -2.539 1 70 JAIFHM