pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.53	IUPAC digitized pKa	1	0	CNc1nc([NH3+])nc(O)c1NC(=O)C(F)(F)F,CNc1[nH+]c(N)nc(O)c1NC(=O)C(F)(F)F,CNc1nc(N)[nH+]c(O)c1NC(=O)C(F)(F)F,C[NH2+]c1nc(N)nc(O)c1NC(=O)C(F)(F)F	CNc1nc(N)nc(O)c1NC(=O)C(F)(F)F	mol7081	CNc1nc(N)nc(O)c1NC(=O)C(F)(F)F
10.3	IUPAC digitized pKa	-1	-2	CNc1nc(N)nc([O-])c1NC(=O)C(F)(F)F	C[N-]c1nc(N)nc(O)c1[N-]C(=O)C(F)(F)F,CNc1nc([NH-])nc([O-])c1NC(=O)C(F)(F)F,CNc1nc(N)nc([O-])c1[N-]C(=O)C(F)(F)F,C[N-]c1nc(N)nc([O-])c1NC(=O)C(F)(F)F	mol7081	CNc1nc(N)nc(O)c1NC(=O)C(F)(F)F