smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC(=O)c1ccc([O-])cc1 ZINC000036311189 519979577 /nfs/dbraw/zinc/97/95/77/519979577.db2.gz PKEQJRNMFGPHMC-UHFFFAOYSA-N -1 1 248.366 4.716 40 30 BJEBMM