pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.13	IUPAC digitized pKa	1	0	[NH3+]Cc1ccc(Br)cc1	NCc1ccc(Br)cc1	mol1546	NCc1ccc(Br)cc1
9.13000011444092	QSARToolbox	1	0	[NH3+]Cc1ccc(Br)cc1	NCc1ccc(Br)cc1	mol1546	NCc1ccc(Br)cc1
9.125	AttenGpKa training set	1	0	[NH3+]Cc1ccc(Br)cc1	NCc1ccc(Br)cc1	mol1546	NCc1ccc(Br)cc1