pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.32	IUPAC digitized pKa	0	-1	Brc1c[nH]cn1	Brc1c[n-]cn1	mol6646	Brc1c[nH]cn1
12.16	AttenGpKa training set	0	-1	Brc1c[nH]cn1	Brc1c[n-]cn1	mol6646	Brc1c[nH]cn1
3.88	IUPAC digitized pKa	1	0	Brc1c[nH]c[nH+]1	Brc1c[nH]cn1	mol6646	Brc1c[nH]cn1
3.8	Datawarrior	1	0	Brc1c[nH]c[nH+]1	Brc1c[nH]cn1	mol6646	Brc1c[nH]cn1
3.79999995231628	QSARToolbox	1	0	Brc1c[nH]c[nH+]1	Brc1c[nH]cn1	mol6646	Brc1c[nH]cn1