pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96999979019165	QSARToolbox	1	0	c1ccc([NH+]2CCCCC2)cc1	c1ccc(N2CCCCC2)cc1	mol23764	c1ccc(N2CCCCC2)cc1
5.2	AttenGpKa training set	1	0	c1ccc([NH+]2CCCCC2)cc1	c1ccc(N2CCCCC2)cc1	mol23764	c1ccc(N2CCCCC2)cc1