pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	Organic Oxygen Acids and Nitrogen Bases	1	0	Cc1cc([NH3+])ccc1Br	Cc1cc(N)ccc1Br	mol1646	Cc1cc(N)ccc1Br
4.5	QSARToolbox	1	0	Cc1cc([NH3+])ccc1Br	Cc1cc(N)ccc1Br	mol1646	Cc1cc(N)ccc1Br