smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CNCCC[NH2+]CCCC[NH2+]CCCNCc2ccccc2)cc1 ZINC000005843177 570458640 /nfs/dbraw/zinc/45/86/40/570458640.db2.gz CNCQKPGLZYJPGE-UHFFFAOYSA-N 2 3 382.596 3.306 40 0 GGABHP