pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	0	-1	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1[O-],CC(=O)c1cc(F)cc(C(=O)Nc2nnn[n-]2)c1O	mol15498	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O
4.1999998	OCHEM	0	-1	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1[O-],CC(=O)c1cc(F)cc(C(=O)Nc2nnn[n-]2)c1O	mol15498	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O
4.19999980926514	QSARToolbox	0	-1	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1[O-],CC(=O)c1cc(F)cc(C(=O)Nc2nnn[n-]2)c1O	mol15498	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O
7.1	Datawarrior	-1	-2	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1[O-],CC(=O)c1cc(F)cc(C(=O)Nc2nnn[n-]2)c1O	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[n-]2)c1[O-]	mol15498	CC(=O)c1cc(F)cc(C(=O)Nc2nnn[nH]2)c1O