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-])c1nc2ccccc2c(C(=O)[O-])c1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000001093171 568769311 /nfs/dbraw/zinc/76/93/11/568769311.db2.gz QRTOUTZYPSPNJU-UHFFFAOYSA-N -2 0 417.392 5.016 20 0 HKADRL