pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Datawarrior	0	-1	Oc1c(I)cc(I)c2cccnc12	[O-]c1c(I)cc(I)c2cccnc12	mol13809	Oc1c(I)cc(I)c2cccnc12
2.7	Datawarrior	1	0	Oc1c(I)cc(I)c2ccc[nH+]c12	Oc1c(I)cc(I)c2cccnc12	mol13809	Oc1c(I)cc(I)c2cccnc12
2.70000004768372	QSARToolbox	1	0	Oc1c(I)cc(I)c2ccc[nH+]c12	Oc1c(I)cc(I)c2cccnc12	mol13809	Oc1c(I)cc(I)c2cccnc12