pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.30000019073486	QSARToolbox	1	0	c1c(N2CCCCC2)cc([NH+]2CCCCC2)cc1N1CCCCC1	c1c(N2CCCCC2)cc(N2CCCCC2)cc1N1CCCCC1	mol34561	c1c(N2CCCCC2)cc(N2CCCCC2)cc1N1CCCCC1
3.49000000953674	QSARToolbox	2	1	c1c(N2CCCCC2)cc([NH+]2CCCCC2)cc1[NH+]1CCCCC1	c1c(N2CCCCC2)cc([NH+]2CCCCC2)cc1N1CCCCC1	mol34561	c1c(N2CCCCC2)cc(N2CCCCC2)cc1N1CCCCC1
4.6399998664856	QSARToolbox	2	1	c1c(N2CCCCC2)cc([NH+]2CCCCC2)cc1[NH+]1CCCCC1	c1c(N2CCCCC2)cc([NH+]2CCCCC2)cc1N1CCCCC1	mol34561	c1c(N2CCCCC2)cc(N2CCCCC2)cc1N1CCCCC1