pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.03	IUPAC digitized pKa	0	-1	Brc1ncc[nH]1	Brc1ncc[n-]1	mol6645	Brc1ncc[nH]1
10.89	AttenGpKa training set	0	-1	Brc1ncc[nH]1	Brc1ncc[n-]1	mol6645	Brc1ncc[nH]1
3.85	IUPAC digitized pKa	1	0	Brc1[nH]cc[nH+]1	Brc1ncc[nH]1	mol6645	Brc1ncc[nH]1
3.79	Organic Oxygen Acids and Nitrogen Bases	1	0	Brc1[nH]cc[nH+]1	Brc1ncc[nH]1	mol6645	Brc1ncc[nH]1