smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCP1CCSCC1 ZINC000584635983 358320700 /nfs/dbraw/zinc/32/07/00/358320700.db2.gz BHHSWYGUDOQGFJ-UHFFFAOYSA-N 0 1 232.373 4.576 10 30 BJEEMN