pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.14	Datawarrior	0	-1	NS(=O)(=O)c1ccccc1C(=O)O,[NH3+]S(=O)(=O)c1ccccc1C(=O)[O-]	NS(=O)(=O)c1ccccc1C(=O)[O-]	mol13911	NS(=O)(=O)c1ccccc1C(=O)O
3.1400001	OCHEM	0	-1	NS(=O)(=O)c1ccccc1C(=O)O,[NH3+]S(=O)(=O)c1ccccc1C(=O)[O-]	NS(=O)(=O)c1ccccc1C(=O)[O-]	mol13911	NS(=O)(=O)c1ccccc1C(=O)O
2.91	AttenGpKa training set	0	-1	NS(=O)(=O)c1ccccc1C(=O)O,[NH3+]S(=O)(=O)c1ccccc1C(=O)[O-]	NS(=O)(=O)c1ccccc1C(=O)[O-]	mol13911	NS(=O)(=O)c1ccccc1C(=O)O
10.68	AttenGpKa training set	-1	-2	NS(=O)(=O)c1ccccc1C(=O)[O-]	[NH-]S(=O)(=O)c1ccccc1C(=O)[O-]	mol13911	NS(=O)(=O)c1ccccc1C(=O)O