smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC(=O)C(=O)CCCCC 2019462 171003306 /nfs/dbraw/zinc/00/33/06/171003306.db2.gz HGPCKXFCLDLIFH-UHFFFAOYSA-N 0 0 198.306 3.285 1 10 AGCFRN