pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	Datawarrior	0	-1	COc1ccc(-c2nnn[nH]2)cc1	COc1ccc(-c2nnn[n-]2)cc1	mol13743	COc1ccc(-c2nnn[nH]2)cc1
4.23000001907349	QSARToolbox	0	-1	COc1ccc(-c2nnn[nH]2)cc1	COc1ccc(-c2nnn[n-]2)cc1	mol13743	COc1ccc(-c2nnn[nH]2)cc1
-1.88	AttenGpKa training set	1	0	COc1ccc(-c2n[nH+]n[nH]2)cc1,COc1ccc(-c2[nH]nn[nH+]2)cc1	COc1ccc(-c2nnn[nH]2)cc1	mol13743	COc1ccc(-c2nnn[nH]2)cc1