pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.26	Baltruschat ChEMBL	0	-1	c1nc[nH]n1	c1nc[n-]n1	mol4288	c1nc[nH]n1
9.59000015258789	QSARToolbox	0	-1	c1nc[nH]n1	c1nc[n-]n1	mol4288	c1nc[nH]n1
10.175	AttenGpKa training set	0	-1	c1nc[nH]n1	c1nc[n-]n1	mol4288	c1nc[nH]n1
2.5	Datawarrior	1	0	c1n[nH]c[nH+]1,c1nc[nH+][nH]1	c1nc[nH]n1	mol4288	c1nc[nH]n1
2.19	Baltruschat ChEMBL	1	0	c1n[nH]c[nH+]1,c1nc[nH+][nH]1	c1nc[nH]n1	mol4288	c1nc[nH]n1
2.50999999046326	QSARToolbox	1	0	c1n[nH]c[nH+]1,c1nc[nH+][nH]1	c1nc[nH]n1	mol4288	c1nc[nH]n1
2.45	AttenGpKa training set	1	0	c1n[nH]c[nH+]1,c1nc[nH+][nH]1	c1nc[nH]n1	mol4288	c1nc[nH]n1