pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.04	IUPAC digitized pKa	0	-1	Oc1nccc2cccnc12	[O-]c1nccc2cccnc12	mol1421	Oc1nccc2cccnc12
12.01	Datawarrior	0	-1	Oc1nccc2cccnc12	[O-]c1nccc2cccnc12	mol1421	Oc1nccc2cccnc12
2.53	IUPAC digitized pKa	1	0	Oc1[nH+]ccc2cccnc12,Oc1nccc2ccc[nH+]c12	Oc1nccc2cccnc12	mol1421	Oc1nccc2cccnc12
2.64	Datawarrior	1	0	Oc1[nH+]ccc2cccnc12,Oc1nccc2ccc[nH+]c12	Oc1nccc2cccnc12	mol1421	Oc1nccc2cccnc12
2.6400001	OCHEM	1	0	Oc1[nH+]ccc2cccnc12,Oc1nccc2ccc[nH+]c12	Oc1nccc2cccnc12	mol1421	Oc1nccc2cccnc12
2.64000010490417	QSARToolbox	1	0	Oc1[nH+]ccc2cccnc12,Oc1nccc2ccc[nH+]c12	Oc1nccc2cccnc12	mol1421	Oc1nccc2cccnc12