smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 ZINC000218696908 560873308 /nfs/dbraw/zinc/87/33/08/560873308.db2.gz CJGXIKBHHZVJHP-UHFFFAOYSA-N 0 2 401.098 4.928 40 70 HJIBLN