pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.71	IUPAC digitized pKa	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
0.9	Datawarrior	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
0.89999998	OCHEM	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
0.8049999	OCHEM	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
0.899999976158142	QSARToolbox	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
0.709999978542328	QSARToolbox	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1
0.805	AttenGpKa training set	1	0	Brc1cccc[nH+]1	Brc1ccccn1	mol3632	Brc1ccccn1