pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	IUPAC digitized pKa	0	-1	Cc1nc(O)nc(C)c1C	Cc1nc([O-])nc(C)c1C	mol1623	Cc1nc(O)nc(C)c1C
10.55	OCHEM	0	-1	Cc1nc(O)nc(C)c1C	Cc1nc([O-])nc(C)c1C	mol1623	Cc1nc(O)nc(C)c1C
4.21	IUPAC digitized pKa	1	0	Cc1nc(O)[nH+]c(C)c1C	Cc1nc(O)nc(C)c1C	mol1623	Cc1nc(O)nc(C)c1C
4.21000003814697	QSARToolbox	1	0	Cc1nc(O)[nH+]c(C)c1C	Cc1nc(O)nc(C)c1C	mol1623	Cc1nc(O)nc(C)c1C
1.85000002384186	QSARToolbox	1	0	Cc1nc(O)[nH+]c(C)c1C	Cc1nc(O)nc(C)c1C	mol1623	Cc1nc(O)nc(C)c1C