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-])c1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)c1 ZINC000104170663 562825110 /nfs/dbraw/zinc/82/51/10/562825110.db2.gz QMHCZXZLOXJERH-UHFFFAOYSA-N -1 0 521.910 4.358 40 70 KIIBRM