pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.19	IUPAC digitized pKa	0	-1	Nc1ncnc2cn[nH]c12	Nc1ncnc2cn[n-]c12	mol4915	Nc1ncnc2cn[nH]c12
10.15	Datawarrior	0	-1	Nc1ncnc2cn[nH]c12	Nc1ncnc2cn[n-]c12	mol4915	Nc1ncnc2cn[nH]c12
4.96	IUPAC digitized pKa	1	0	[NH3+]c1ncnc2cn[nH]c12,Nc1ncnc2c[nH+][nH]c12,Nc1nc[nH+]c2cn[nH]c12,Nc1[nH+]cnc2cn[nH]c12	Nc1ncnc2cn[nH]c12	mol4915	Nc1ncnc2cn[nH]c12
5.0	Datawarrior	1	0	[NH3+]c1ncnc2cn[nH]c12,Nc1ncnc2c[nH+][nH]c12,Nc1nc[nH+]c2cn[nH]c12,Nc1[nH+]cnc2cn[nH]c12	Nc1ncnc2cn[nH]c12	mol4915	Nc1ncnc2cn[nH]c12