pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Datawarrior	1	0	Cc1cc(-c2[nH]cc[nH+]2)nn1C,Cc1cc(-c2ncc[nH]2)[nH+]n1C	Cc1cc(-c2ncc[nH]2)nn1C	mol12752	Cc1cc(-c2ncc[nH]2)nn1C
6.1999998	OCHEM	1	0	Cc1cc(-c2[nH]cc[nH+]2)nn1C,Cc1cc(-c2ncc[nH]2)[nH+]n1C	Cc1cc(-c2ncc[nH]2)nn1C	mol12752	Cc1cc(-c2ncc[nH]2)nn1C
2.0	Datawarrior	2	1	Cc1cc(-c2[nH]cc[nH+]2)[nH+]n1C	Cc1cc(-c2[nH]cc[nH+]2)nn1C,Cc1cc(-c2ncc[nH]2)[nH+]n1C	mol12752	Cc1cc(-c2ncc[nH]2)nn1C