smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC(=O)C=C(C)O 43422658 171088030 /nfs/dbraw/zinc/08/80/30/171088030.db2.gz PGCYJKDJSLVDGX-UHFFFAOYSA-N 0 1 198.306 3.285 1 30 AGEFMN