pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.34	Datawarrior	1	0	[NH3+]OCc1ccccc1	NOCc1ccccc1	mol13660	NOCc1ccccc1
4.3400002	OCHEM	1	0	[NH3+]OCc1ccccc1	NOCc1ccccc1	mol13660	NOCc1ccccc1
4.34000015258789	QSARToolbox	1	0	[NH3+]OCc1ccccc1	NOCc1ccccc1	mol13660	NOCc1ccccc1
6.19999980926514	QSARToolbox	1	0	[NH3+]OCc1ccccc1	NOCc1ccccc1	mol13660	NOCc1ccccc1
3.8	AttenGpKa training set	1	0	[NH3+]OCc1ccccc1	NOCc1ccccc1	mol13660	NOCc1ccccc1