pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6399998664856	QSARToolbox	2	1	COc1ccc([N+](=O)[O-])c2c(NCCC[NH+](C)C)c(C)c(C)[nH+]c12,COc1ccc([N+](=O)[O-])c2c([NH2+]CCC[NH+](C)C)c(C)c(C)nc12	COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)[nH+]c12,COc1ccc([N+](=O)[O-])c2c(NCCC[NH+](C)C)c(C)c(C)nc12,COc1ccc([N+](=O)[O-])c2c([NH2+]CCCN(C)C)c(C)c(C)nc12	mol34493	COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12