pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6100001335144	QSARToolbox	2	1	COc1ccc([N+](=O)[O-])c2c(NCCC[NH+](C)C)c3ccccc3[nH+]c12,COc1ccc([N+](=O)[O-])c2c([NH2+]CCC[NH+](C)C)c3ccccc3nc12	COc1ccc([N+](=O)[O-])c2c([NH2+]CCCN(C)C)c3ccccc3nc12,COc1ccc([N+](=O)[O-])c2c(NCCC[NH+](C)C)c3ccccc3nc12,COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3[nH+]c12	mol33937	COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12