pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.28	OCHEM	2	1	NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)cc2)cc1	NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/[O-])cc2)cc1	mol17960	NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)cc2)cc1
8.55	OCHEM	2	1	NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)cc2)cc1	NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/[O-])cc2)cc1	mol17960	NC(=O)c1cc[n+](CCCC[n+]2ccc(/C=N/O)cc2)cc1