pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.47	IUPAC digitized pKa	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.58	IUPAC digitized pKa	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.55	IUPAC digitized pKa	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.65	Datawarrior	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.6500001	OCHEM	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.51	OCHEM	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.61999988555908	QSARToolbox	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.46999979019165	QSARToolbox	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.71000003814697	QSARToolbox	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.80000019073486	QSARToolbox	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
3.57999992370605	QSARToolbox	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.55000019073486	QSARToolbox	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1
6.62	AttenGpKa training set	1	0	COc1cc[nH+]cc1	COc1ccncc1	mol3738	COc1ccncc1