pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.22	Datawarrior	1	0	Cc1cc(-c2cc(C)n(C)[nH+]2)nn1C	Cc1cc(-c2cc(C)n(C)n2)nn1C	mol13362	Cc1cc(-c2cc(C)n(C)n2)nn1C
2.22000002861023	QSARToolbox	1	0	Cc1cc(-c2cc(C)n(C)[nH+]2)nn1C	Cc1cc(-c2cc(C)n(C)n2)nn1C	mol13362	Cc1cc(-c2cc(C)n(C)n2)nn1C
-0.6	Datawarrior	2	1	Cc1cc(-c2cc(C)n(C)[nH+]2)[nH+]n1C	Cc1cc(-c2cc(C)n(C)[nH+]2)nn1C	mol13362	Cc1cc(-c2cc(C)n(C)n2)nn1C