pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.87	IUPAC digitized pKa	0	-1	Nc1nc(O)ncc1F	Nc1nc([O-])ncc1F	mol4084	Nc1nc(O)ncc1F
10.71	AttenGpKa training set	0	-1	Nc1nc(O)ncc1F	Nc1nc([O-])ncc1F	mol4084	Nc1nc(O)ncc1F
2.83	IUPAC digitized pKa	1	0	Nc1nc(O)[nH+]cc1F,Nc1[nH+]c(O)ncc1F,[NH3+]c1nc(O)ncc1F	Nc1nc(O)ncc1F	mol4084	Nc1nc(O)ncc1F
2.9	AttenGpKa training set	1	0	Nc1nc(O)[nH+]cc1F,Nc1[nH+]c(O)ncc1F,[NH3+]c1nc(O)ncc1F	Nc1nc(O)ncc1F	mol4084	Nc1nc(O)ncc1F