pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.11	IUPAC digitized pKa	0	-1	c1cnc2nc[nH]c2c1	c1cnc2nc[n-]c2c1	mol4685	c1cnc2nc[nH]c2c1
11.08	Datawarrior	0	-1	c1cnc2nc[nH]c2c1	c1cnc2nc[n-]c2c1	mol4685	c1cnc2nc[nH]c2c1
3.92	IUPAC digitized pKa	1	0	c1c[nH+]c2nc[nH]c2c1,c1cnc2[nH+]c[nH]c2c1	c1cnc2nc[nH]c2c1	mol4685	c1cnc2nc[nH]c2c1
3.95	Datawarrior	1	0	c1c[nH+]c2nc[nH]c2c1,c1cnc2[nH+]c[nH]c2c1	c1cnc2nc[nH]c2c1	mol4685	c1cnc2nc[nH]c2c1