pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	IUPAC digitized pKa	1	0	c1cncc(C[NH2+]Cc2cccnc2)c1	c1cncc(CNCc2cccnc2)c1	mol6553	c1cncc(CNCc2cccnc2)c1
3.9	IUPAC digitized pKa	2	1	c1cncc(C[NH2+]Cc2ccc[nH+]c2)c1,c1c[nH+]cc(CNCc2ccc[nH+]c2)c1	c1cncc(C[NH2+]Cc2cccnc2)c1	mol6553	c1cncc(CNCc2cccnc2)c1
2.95	IUPAC digitized pKa	3	2	c1c[nH+]cc(C[NH2+]Cc2ccc[nH+]c2)c1	c1cncc(C[NH2+]Cc2ccc[nH+]c2)c1,c1c[nH+]cc(CNCc2ccc[nH+]c2)c1	mol6553	c1cncc(CNCc2cccnc2)c1