pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	IUPAC digitized pKa	0	-1	Oc1ccc(I)c2cccnc12	[O-]c1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12
8.31	Baltruschat ChEMBL	0	-1	Oc1ccc(I)c2cccnc12	[O-]c1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12
8.64999961853027	QSARToolbox	0	-1	Oc1ccc(I)c2cccnc12	[O-]c1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12
3.48	IUPAC digitized pKa	1	0	Oc1ccc(I)c2ccc[nH+]c12	Oc1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12
0.0	Baltruschat ChEMBL	1	0	Oc1ccc(I)c2ccc[nH+]c12	Oc1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12
4.43	Baltruschat ChEMBL	1	0	Oc1ccc(I)c2ccc[nH+]c12	Oc1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12
3.48000001907349	QSARToolbox	1	0	Oc1ccc(I)c2ccc[nH+]c12	Oc1ccc(I)c2cccnc12	mol7749	Oc1ccc(I)c2cccnc12