pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.76	Datawarrior	0	-1	Oc1ccc(Cl)cc1CN1CCCCC1,[O-]c1ccc(Cl)cc1C[NH+]1CCCCC1	[O-]c1ccc(Cl)cc1CN1CCCCC1	mol15781	Oc1ccc(Cl)cc1CN1CCCCC1
11.7600002288818	QSARToolbox	0	-1	Oc1ccc(Cl)cc1CN1CCCCC1,[O-]c1ccc(Cl)cc1C[NH+]1CCCCC1	[O-]c1ccc(Cl)cc1CN1CCCCC1	mol15781	Oc1ccc(Cl)cc1CN1CCCCC1
8.14	Datawarrior	1	0	Oc1ccc(Cl)cc1C[NH+]1CCCCC1	Oc1ccc(Cl)cc1CN1CCCCC1,[O-]c1ccc(Cl)cc1C[NH+]1CCCCC1	mol15781	Oc1ccc(Cl)cc1CN1CCCCC1
8.1400003	OCHEM	1	0	Oc1ccc(Cl)cc1C[NH+]1CCCCC1	Oc1ccc(Cl)cc1CN1CCCCC1,[O-]c1ccc(Cl)cc1C[NH+]1CCCCC1	mol15781	Oc1ccc(Cl)cc1CN1CCCCC1