pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77	IUPAC digitized pKa	0	-1	Cc1ncnc2c(O)cccc12	Cc1ncnc2c([O-])cccc12	mol1432	Cc1ncnc2c(O)cccc12
8.75	Datawarrior	0	-1	Cc1ncnc2c(O)cccc12	Cc1ncnc2c([O-])cccc12	mol1432	Cc1ncnc2c(O)cccc12
8.7	OCHEM	0	-1	Cc1ncnc2c(O)cccc12	Cc1ncnc2c([O-])cccc12	mol1432	Cc1ncnc2c(O)cccc12
8.77000045776367	QSARToolbox	0	-1	Cc1ncnc2c(O)cccc12	Cc1ncnc2c([O-])cccc12	mol1432	Cc1ncnc2c(O)cccc12
2.88	IUPAC digitized pKa	1	0	Cc1nc[nH+]c2c(O)cccc12,Cc1[nH+]cnc2c(O)cccc12	Cc1ncnc2c(O)cccc12	mol1432	Cc1ncnc2c(O)cccc12
2.9	Datawarrior	1	0	Cc1nc[nH+]c2c(O)cccc12,Cc1[nH+]cnc2c(O)cccc12	Cc1ncnc2c(O)cccc12	mol1432	Cc1ncnc2c(O)cccc12
2.9000001	OCHEM	1	0	Cc1nc[nH+]c2c(O)cccc12,Cc1[nH+]cnc2c(O)cccc12	Cc1ncnc2c(O)cccc12	mol1432	Cc1ncnc2c(O)cccc12
2.90000009536743	QSARToolbox	1	0	Cc1nc[nH+]c2c(O)cccc12,Cc1[nH+]cnc2c(O)cccc12	Cc1ncnc2c(O)cccc12	mol1432	Cc1ncnc2c(O)cccc12
2.88000011444092	QSARToolbox	1	0	Cc1nc[nH+]c2c(O)cccc12,Cc1[nH+]cnc2c(O)cccc12	Cc1ncnc2c(O)cccc12	mol1432	Cc1ncnc2c(O)cccc12