smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000217463298 388374157 /nfs/dbraw/zinc/37/41/57/388374157.db2.gz ABKOAMNWNSUKMM-OAHLLOKOSA-N 1 0 245.366 3.524 40 70 BHIBRO CC[N@@H+]1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000217463372 188008183 /nfs/dbraw/zinc/00/81/83/188008183.db2.gz ABKOAMNWNSUKMM-HNNXBMFYSA-N 1 0 245.366 3.524 40 70 BHIBRO