smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC(C)CCCCCC ZINC000001689500 166849226 /nfs/dbraw/zinc/84/92/26/166849226.db2.gz BHDKLTKHPZWYCV-UHFFFAOYSA-N 0 0 198.394 5.563 50 0 AKAARN