pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.99	IUPAC digitized pKa	1	0	O=CN1CC[NH2+]c2ncncc21,O=CN1CCNc2nc[nH+]cc21,O=CN1CCNc2[nH+]cncc21	O=CN1CCNc2ncncc21	mol4808	O=CN1CCNc2ncncc21
5.0	QSARToolbox	1	0	O=CN1CC[NH2+]c2ncncc21,O=CN1CCNc2nc[nH+]cc21,O=CN1CCNc2[nH+]cncc21	O=CN1CCNc2ncncc21	mol4808	O=CN1CCNc2ncncc21