pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.22	Datawarrior	1	0	OC[NH2+]c1ccc(Cl)cc1	OCNc1ccc(Cl)cc1	mol13080	OCNc1ccc(Cl)cc1
2.22000002861023	QSARToolbox	1	0	OC[NH2+]c1ccc(Cl)cc1	OCNc1ccc(Cl)cc1	mol13080	OCNc1ccc(Cl)cc1