pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.98	IUPAC digitized pKa	1	0	COc1c(Br)cc([NH3+])cc1Br	COc1c(Br)cc(N)cc1Br	mol1016	COc1c(Br)cc(N)cc1Br
2.98000001907349	QSARToolbox	1	0	COc1c(Br)cc([NH3+])cc1Br	COc1c(Br)cc(N)cc1Br	mol1016	COc1c(Br)cc(N)cc1Br