pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.31	OCHEM	1	0	C[NH+](C)c1ccccc1Br	CN(C)c1ccccc1Br	mol981	CN(C)c1ccccc1Br
4.30000019073486	QSARToolbox	1	0	C[NH+](C)c1ccccc1Br	CN(C)c1ccccc1Br	mol981	CN(C)c1ccccc1Br
4.30999994277954	QSARToolbox	1	0	C[NH+](C)c1ccccc1Br	CN(C)c1ccccc1Br	mol981	CN(C)c1ccccc1Br