pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	Datawarrior	0	-1	Oc1ccc(Cl)cc1CN1CCOCC1	[O-]c1ccc(Cl)cc1CN1CCOCC1	mol15763	Oc1ccc(Cl)cc1CN1CCOCC1
9.8500004	OCHEM	0	-1	Oc1ccc(Cl)cc1CN1CCOCC1	[O-]c1ccc(Cl)cc1CN1CCOCC1	mol15763	Oc1ccc(Cl)cc1CN1CCOCC1
9.96000003814697	QSARToolbox	0	-1	Oc1ccc(Cl)cc1CN1CCOCC1	[O-]c1ccc(Cl)cc1CN1CCOCC1	mol15763	Oc1ccc(Cl)cc1CN1CCOCC1
6.78	Datawarrior	1	0	Oc1ccc(Cl)cc1C[NH+]1CCOCC1	Oc1ccc(Cl)cc1CN1CCOCC1	mol15763	Oc1ccc(Cl)cc1CN1CCOCC1
6.7800002	OCHEM	1	0	Oc1ccc(Cl)cc1C[NH+]1CCOCC1	Oc1ccc(Cl)cc1CN1CCOCC1	mol15763	Oc1ccc(Cl)cc1CN1CCOCC1
6.67999982833862	QSARToolbox	1	0	Oc1ccc(Cl)cc1C[NH+]1CCOCC1	Oc1ccc(Cl)cc1CN1CCOCC1	mol15763	Oc1ccc(Cl)cc1CN1CCOCC1