pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.91	IUPAC digitized pKa	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.84	IUPAC digitized pKa	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.78	IUPAC digitized pKa	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.89	Datawarrior	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.8899999	OCHEM	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.90999984741211	QSARToolbox	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.8600001335144	QSARToolbox	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.88000011444092	QSARToolbox	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.94000005722046	QSARToolbox	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.84000015258789	QSARToolbox	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1
4.88	AttenGpKa training set	1	0	COc1ccc[nH+]c1	COc1cccnc1	mol3737	COc1cccnc1