pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	Datawarrior	1	0	COc1ccc([NH+](C)CO)cc1	COc1ccc(N(C)CO)cc1	mol12653	COc1ccc(N(C)CO)cc1
4.5900002	OCHEM	1	0	COc1ccc([NH+](C)CO)cc1	COc1ccc(N(C)CO)cc1	mol12653	COc1ccc(N(C)CO)cc1
4.59000015258789	QSARToolbox	1	0	COc1ccc([NH+](C)CO)cc1	COc1ccc(N(C)CO)cc1	mol12653	COc1ccc(N(C)CO)cc1