pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.54	Datawarrior	0	-1	O=S(=O)(Nc1cccc(F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(F)c1)c1ccccc1	mol15194	O=S(=O)(Nc1cccc(F)c1)c1ccccc1
7.5	QSARToolbox	0	-1	O=S(=O)(Nc1cccc(F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(F)c1)c1ccccc1	mol15194	O=S(=O)(Nc1cccc(F)c1)c1ccccc1
7.57999992370606	QSARToolbox	0	-1	O=S(=O)(Nc1cccc(F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(F)c1)c1ccccc1	mol15194	O=S(=O)(Nc1cccc(F)c1)c1ccccc1
7.58	AttenGpKa training set	0	-1	O=S(=O)(Nc1cccc(F)c1)c1ccccc1	O=S(=O)([N-]c1cccc(F)c1)c1ccccc1	mol15194	O=S(=O)(Nc1cccc(F)c1)c1ccccc1