smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCN1CCC=C(F)C1 ZINC000778960057 582872163 /nfs/dbraw/zinc/87/21/63/582872163.db2.gz JAIOEYQNYRIYNS-UHFFFAOYSA-N 0 1 199.313 3.516 20 30 AHEDMN