pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.78	Datawarrior	0	-1	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1	O=S(=O)([N-]c1ccc(Br)cc1)c1ccccc1	mol15195	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1
7.7800002	OCHEM	0	-1	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1	O=S(=O)([N-]c1ccc(Br)cc1)c1ccccc1	mol15195	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1
7.80000019073486	QSARToolbox	0	-1	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1	O=S(=O)([N-]c1ccc(Br)cc1)c1ccccc1	mol15195	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1
7.75	QSARToolbox	0	-1	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1	O=S(=O)([N-]c1ccc(Br)cc1)c1ccccc1	mol15195	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1
7.8	AttenGpKa training set	0	-1	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1	O=S(=O)([N-]c1ccc(Br)cc1)c1ccccc1	mol15195	O=S(=O)(Nc1ccc(Br)cc1)c1ccccc1