pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	1	0	Cc1ccc(CO[NH3+])cc1	Cc1ccc(CON)cc1	mol13068	Cc1ccc(CON)cc1
4.4000001	OCHEM	1	0	Cc1ccc(CO[NH3+])cc1	Cc1ccc(CON)cc1	mol13068	Cc1ccc(CON)cc1
4.40000009536743	QSARToolbox	1	0	Cc1ccc(CO[NH3+])cc1	Cc1ccc(CON)cc1	mol13068	Cc1ccc(CON)cc1