pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.28	Datawarrior	1	0	CCOCC[NH2+]c1ccc(Cl)cc1	CCOCCNc1ccc(Cl)cc1	mol13952	CCOCCNc1ccc(Cl)cc1
3.27999997138977	QSARToolbox	1	0	CCOCC[NH2+]c1ccc(Cl)cc1	CCOCCNc1ccc(Cl)cc1	mol13952	CCOCCNc1ccc(Cl)cc1