pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	IUPAC digitized pKa	1	0	OC(CN1CCCCC1)C[NH+]1CCCCC1	OC(CN1CCCCC1)CN1CCCCC1	mol3580	OC(CN1CCCCC1)CN1CCCCC1
9.47999954223633	QSARToolbox	1	0	OC(CN1CCCCC1)C[NH+]1CCCCC1	OC(CN1CCCCC1)CN1CCCCC1	mol3580	OC(CN1CCCCC1)CN1CCCCC1
7.47	IUPAC digitized pKa	2	1	OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1	OC(CN1CCCCC1)C[NH+]1CCCCC1	mol3580	OC(CN1CCCCC1)CN1CCCCC1
9.18	OCHEM	2	1	OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1	OC(CN1CCCCC1)C[NH+]1CCCCC1	mol3580	OC(CN1CCCCC1)CN1CCCCC1
7.46999979019165	QSARToolbox	2	1	OC(C[NH+]1CCCCC1)C[NH+]1CCCCC1	OC(CN1CCCCC1)C[NH+]1CCCCC1	mol3580	OC(CN1CCCCC1)CN1CCCCC1