pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.85	Datawarrior	0	-1	O[C@@H](c1ccccc1)c1ccccn1	O[C-](c1ccccc1)c1ccccn1	mol13430	OC(c1ccccc1)c1ccccn1
4.44	Datawarrior	1	0	O[C@@H](c1ccccc1)c1cccc[nH+]1	O[C@@H](c1ccccc1)c1ccccn1	mol13430	OC(c1ccccc1)c1ccccn1
4.4400001	OCHEM	1	0	O[C@@H](c1ccccc1)c1cccc[nH+]1	O[C@@H](c1ccccc1)c1ccccn1	mol13430	OC(c1ccccc1)c1ccccn1
4.435	OCHEM	1	0	O[C@@H](c1ccccc1)c1cccc[nH+]1	O[C@@H](c1ccccc1)c1ccccn1	mol13430	OC(c1ccccc1)c1ccccn1
4.40999984741211	QSARToolbox	1	0	O[C@@H](c1ccccc1)c1cccc[nH+]1	O[C@@H](c1ccccc1)c1ccccn1	mol13430	OC(c1ccccc1)c1ccccn1
4.44999980926514	QSARToolbox	1	0	O[C@@H](c1ccccc1)c1cccc[nH+]1	O[C@@H](c1ccccc1)c1ccccn1	mol13430	OC(c1ccccc1)c1ccccn1