pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.0	IUPAC digitized pKa	0	-1	OCc1ccccn1	[O-]Cc1ccccn1,O[CH-]c1ccccn1	mol6502	OCc1ccccn1
17.33	AttenGpKa training set	0	-1	OCc1ccccn1	[O-]Cc1ccccn1,O[CH-]c1ccccn1	mol6502	OCc1ccccn1
4.86	IUPAC digitized pKa	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.4	IUPAC digitized pKa	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.8	IUPAC digitized pKa	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.66	Datawarrior	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.6599998	OCHEM	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.83	OCHEM	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.40000009536743	QSARToolbox	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.92000007629395	QSARToolbox	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1
4.8600001335144	QSARToolbox	1	0	OCc1cccc[nH+]1	OCc1ccccn1	mol6502	OCc1ccccn1