pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	Datawarrior	1	0	[NH3+]c1ccccc1-c1nc2ccccc2s1,Nc1ccccc1-c1[nH+]c2ccccc2s1	Nc1ccccc1-c1nc2ccccc2s1	mol14495	Nc1ccccc1-c1nc2ccccc2s1
2.5999999	OCHEM	1	0	[NH3+]c1ccccc1-c1nc2ccccc2s1,Nc1ccccc1-c1[nH+]c2ccccc2s1	Nc1ccccc1-c1nc2ccccc2s1	mol14495	Nc1ccccc1-c1nc2ccccc2s1
-1.8	Datawarrior	2	1	[NH3+]c1ccccc1-c1[nH+]c2ccccc2s1	[NH3+]c1ccccc1-c1nc2ccccc2s1,Nc1ccccc1-c1[nH+]c2ccccc2s1	mol14495	Nc1ccccc1-c1nc2ccccc2s1