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-])Cn1cnc(NC(=O)c2cc(S(=O)(=O)F)c[n-]2)n1 ZINC001574748301 957715199 /nfs/dbraw/zinc/71/51/99/957715199.db2.gz OMLGTRNDQTZWGT-UHFFFAOYSA-N -2 0 317.258 -0.399 20 70 DBIDRL