smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(N)CCBr 2019084 717093941 /nfs/dbraw/zinc/09/39/41/717093941.db2.gz VBYQCLJVDURWBH-UHFFFAOYSA-N 1 3 168.058 0.331 10 50 ACGEHO