pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.61	IUPAC digitized pKa	1	0	c1coc(CNCC[NH2+]Cc2ccco2)c1	c1coc(CNCCNCc2ccco2)c1	mol3121	c1coc(CNCCNCc2ccco2)c1
8.6099997	OCHEM	1	0	c1coc(CNCC[NH2+]Cc2ccco2)c1	c1coc(CNCCNCc2ccco2)c1	mol3121	c1coc(CNCCNCc2ccco2)c1
5.74	IUPAC digitized pKa	2	1	c1coc(C[NH2+]CC[NH2+]Cc2ccco2)c1	c1coc(CNCC[NH2+]Cc2ccco2)c1	mol3121	c1coc(CNCCNCc2ccco2)c1
5.73999977111816	QSARToolbox	2	1	c1coc(C[NH2+]CC[NH2+]Cc2ccco2)c1	c1coc(CNCC[NH2+]Cc2ccco2)c1	mol3121	c1coc(CNCCNCc2ccco2)c1