pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	IUPAC digitized pKa	1	0	c1ccc(-c2ccc[nH+]c2)nc1,c1ccc(-c2cccnc2)[nH+]c1	c1ccc(-c2cccnc2)nc1	mol3783	c1ccc(-c2cccnc2)nc1
4.4200001	OCHEM	1	0	c1ccc(-c2ccc[nH+]c2)nc1,c1ccc(-c2cccnc2)[nH+]c1	c1ccc(-c2cccnc2)nc1	mol3783	c1ccc(-c2cccnc2)nc1
4.12	OCHEM	1	0	c1ccc(-c2ccc[nH+]c2)nc1,c1ccc(-c2cccnc2)[nH+]c1	c1ccc(-c2cccnc2)nc1	mol3783	c1ccc(-c2cccnc2)nc1
4.42000007629395	QSARToolbox	1	0	c1ccc(-c2ccc[nH+]c2)nc1,c1ccc(-c2cccnc2)[nH+]c1	c1ccc(-c2cccnc2)nc1	mol3783	c1ccc(-c2cccnc2)nc1
1.52	IUPAC digitized pKa	2	1	c1ccc(-c2ccc[nH+]c2)[nH+]c1	c1ccc(-c2ccc[nH+]c2)nc1,c1ccc(-c2cccnc2)[nH+]c1	mol3783	c1ccc(-c2cccnc2)nc1
1.51999998092651	QSARToolbox	2	1	c1ccc(-c2ccc[nH+]c2)[nH+]c1	c1ccc(-c2ccc[nH+]c2)nc1,c1ccc(-c2cccnc2)[nH+]c1	mol3783	c1ccc(-c2cccnc2)nc1