pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.69	Datawarrior	0	-1	Brc1cn[nH]c1	Brc1cn[n-]c1	mol6800	Brc1cn[nH]c1
12.6899995803833	QSARToolbox	0	-1	Brc1cn[nH]c1	Brc1cn[n-]c1	mol6800	Brc1cn[nH]c1
0.64	IUPAC digitized pKa	1	0	Brc1c[nH][nH+]c1	Brc1cn[nH]c1	mol6800	Brc1cn[nH]c1