pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.52	IUPAC digitized pKa	0	-1	Nc1nc(O)c2[nH]c(C(F)(F)F)nc2n1	Nc1nc([O-])c2[nH]c(C(F)(F)F)nc2n1,Nc1nc(O)c2[n-]c(C(F)(F)F)nc2n1	mol8258	Nc1nc(O)c2[nH]c(C(F)(F)F)nc2n1
1.23	IUPAC digitized pKa	1	0	Nc1nc(O)c2[nH]c(C(F)(F)F)[nH+]c2n1,Nc1nc2nc(C(F)(F)F)[nH]c2c(O)[nH+]1,[NH3+]c1nc(O)c2[nH]c(C(F)(F)F)nc2n1,Nc1nc(O)c2[nH]c(C(F)(F)F)nc2[nH+]1	Nc1nc(O)c2[nH]c(C(F)(F)F)nc2n1	mol8258	Nc1nc(O)c2[nH]c(C(F)(F)F)nc2n1
11.5	IUPAC digitized pKa	-1	-2	Nc1nc([O-])c2[nH]c(C(F)(F)F)nc2n1,Nc1nc(O)c2[n-]c(C(F)(F)F)nc2n1	Nc1nc([O-])c2[n-]c(C(F)(F)F)nc2n1	mol8258	Nc1nc(O)c2[nH]c(C(F)(F)F)nc2n1