pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	IUPAC digitized pKa	0	-1	Cc1cc(C)nc(O)n1	Cc1cc(C)nc([O-])n1	mol1614	Cc1cc(C)nc(O)n1
9.9	IUPAC digitized pKa	0	-1	Cc1cc(C)nc(O)n1	Cc1cc(C)nc([O-])n1	mol1614	Cc1cc(C)nc(O)n1
10.0	OCHEM	0	-1	Cc1cc(C)nc(O)n1	Cc1cc(C)nc([O-])n1	mol1614	Cc1cc(C)nc(O)n1
9.89999961853027	QSARToolbox	0	-1	Cc1cc(C)nc(O)n1	Cc1cc(C)nc([O-])n1	mol1614	Cc1cc(C)nc(O)n1
3.77	IUPAC digitized pKa	1	0	Cc1cc(C)[nH+]c(O)n1	Cc1cc(C)nc(O)n1	mol1614	Cc1cc(C)nc(O)n1
3.75	IUPAC digitized pKa	1	0	Cc1cc(C)[nH+]c(O)n1	Cc1cc(C)nc(O)n1	mol1614	Cc1cc(C)nc(O)n1
3.76999998092651	QSARToolbox	1	0	Cc1cc(C)[nH+]c(O)n1	Cc1cc(C)nc(O)n1	mol1614	Cc1cc(C)nc(O)n1
1.5	QSARToolbox	1	0	Cc1cc(C)[nH+]c(O)n1	Cc1cc(C)nc(O)n1	mol1614	Cc1cc(C)nc(O)n1