pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.40000009536743	QSARToolbox	1	0	c1c(N2CCOCC2)cc([NH+]2CCOCC2)cc1N1CCOCC1	c1c(N2CCOCC2)cc(N2CCOCC2)cc1N1CCOCC1	mol34568	c1c(N2CCOCC2)cc(N2CCOCC2)cc1N1CCOCC1
1.07000005245209	QSARToolbox	2	1	c1c(N2CCOCC2)cc([NH+]2CCOCC2)cc1[NH+]1CCOCC1	c1c(N2CCOCC2)cc([NH+]2CCOCC2)cc1N1CCOCC1	mol34568	c1c(N2CCOCC2)cc(N2CCOCC2)cc1N1CCOCC1
2.45000004768372	QSARToolbox	2	1	c1c(N2CCOCC2)cc([NH+]2CCOCC2)cc1[NH+]1CCOCC1	c1c(N2CCOCC2)cc([NH+]2CCOCC2)cc1N1CCOCC1	mol34568	c1c(N2CCOCC2)cc(N2CCOCC2)cc1N1CCOCC1