pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.51	Datawarrior	1	0	Cc1[nH+]c2ccccc2n(C)c1=O	Cc1nc2ccccc2n(C)c1=O	mol4669	Cc1nc2ccccc2n(C)c1=O
0.50999999	OCHEM	1	0	Cc1[nH+]c2ccccc2n(C)c1=O	Cc1nc2ccccc2n(C)c1=O	mol4669	Cc1nc2ccccc2n(C)c1=O