pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.33	Datawarrior	0	-1	Cc1cc(C(F)(F)F)n[nH]1	Cc1cc(C(F)(F)F)n[n-]1	mol12970	Cc1cc(C(F)(F)F)n[nH]1
12.3299999237061	QSARToolbox	0	-1	Cc1cc(C(F)(F)F)n[nH]1	Cc1cc(C(F)(F)F)n[n-]1	mol12970	Cc1cc(C(F)(F)F)n[nH]1
-0.5	Datawarrior	1	0	Cc1cc(C(F)(F)F)[nH+][nH]1	Cc1cc(C(F)(F)F)n[nH]1	mol12970	Cc1cc(C(F)(F)F)n[nH]1