pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.28	Organic Oxygen Acids and Nitrogen Bases	1	0	[NH3+]c1c(F)c(F)c(F)c(F)c1F	Nc1c(F)c(F)c(F)c(F)c1F	mol1456	Nc1c(F)c(F)c(F)c(F)c1F
-0.280000001192093	QSARToolbox	1	0	[NH3+]c1c(F)c(F)c(F)c(F)c1F	Nc1c(F)c(F)c(F)c(F)c1F	mol1456	Nc1c(F)c(F)c(F)c(F)c1F
0.16	AttenGpKa training set	1	0	[NH3+]c1c(F)c(F)c(F)c(F)c1F	Nc1c(F)c(F)c(F)c(F)c1F	mol1456	Nc1c(F)c(F)c(F)c(F)c1F