pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.73	Datawarrior	0	-1	Brc1ccc(-c2nnn[nH]2)cc1	Brc1ccc(-c2nnn[n-]2)cc1	mol12760	Brc1ccc(-c2nnn[nH]2)cc1
3.73000001907349	QSARToolbox	0	-1	Brc1ccc(-c2nnn[nH]2)cc1	Brc1ccc(-c2nnn[n-]2)cc1	mol12760	Brc1ccc(-c2nnn[nH]2)cc1
-2.56	AttenGpKa training set	1	0	Brc1ccc(-c2[nH]nn[nH+]2)cc1,Brc1ccc(-c2n[nH+]n[nH]2)cc1	Brc1ccc(-c2nnn[nH]2)cc1	mol12760	Brc1ccc(-c2nnn[nH]2)cc1