pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	IUPAC digitized pKa	1	0	c1ccc(C[NH2+]Cc2ccccn2)nc1,c1ccc(CNCc2cccc[nH+]2)nc1	c1ccc(CNCc2ccccn2)nc1	mol6552	c1ccc(CNCc2ccccn2)nc1
2.6	IUPAC digitized pKa	2	1	c1ccc(CNCc2cccc[nH+]2)[nH+]c1,c1ccc(C[NH2+]Cc2cccc[nH+]2)nc1	c1ccc(C[NH2+]Cc2ccccn2)nc1,c1ccc(CNCc2cccc[nH+]2)nc1	mol6552	c1ccc(CNCc2ccccn2)nc1
1.12	IUPAC digitized pKa	3	2	c1ccc(C[NH2+]Cc2cccc[nH+]2)[nH+]c1	c1ccc(CNCc2cccc[nH+]2)[nH+]c1,c1ccc(C[NH2+]Cc2cccc[nH+]2)nc1	mol6552	c1ccc(CNCc2ccccn2)nc1