pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.43	SAMPL6	0	-1	Oc1c(I)cc(I)c2cccnc12	[O-]c1c(I)cc(I)c2cccnc12	SM22	Oc1c(I)cc(I)c2cccnc12
2.4	SAMPL6	1	0	Oc1c(I)cc(I)c2ccc[nH+]c12	Oc1c(I)cc(I)c2cccnc12	SM22	Oc1c(I)cc(I)c2cccnc12