pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	IUPAC digitized pKa	1	0	Nc1nc(O)nc(O)c1[NH3+],Nc1[nH+]c(O)nc(O)c1N,Nc1c([NH3+])nc(O)nc1O,Nc1nc(O)[nH+]c(O)c1N	Nc1nc(O)nc(O)c1N	mol7284	Nc1nc(O)nc(O)c1N
4.55999994277954	QSARToolbox	1	0	Nc1nc(O)nc(O)c1[NH3+],Nc1[nH+]c(O)nc(O)c1N,Nc1c([NH3+])nc(O)nc1O,Nc1nc(O)[nH+]c(O)c1N	Nc1nc(O)nc(O)c1N	mol7284	Nc1nc(O)nc(O)c1N