smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425422005 648676012 /nfs/dbraw/zinc/67/60/12/648676012.db2.gz OIMXPRGTZBOSHT-UHFFFAOYSA-N 1 3 385.306 2.427 20 5 GEBDHO