smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCC(=O)[O-] ZINC000030731069 168649066 /nfs/dbraw/zinc/64/90/66/168649066.db2.gz WQEPLUUGTLDZJY-UHFFFAOYSA-N -1 0 242.403 5.162 50 30 endogenous,in-man BKEARM