pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.05	Datawarrior	0	-1	CO[P@@](=O)(O)NS(=O)(=O)c1ccccc1	CO[P@@](=O)([O-])NS(=O)(=O)c1ccccc1,CO[P@@](=O)(O)[N-]S(=O)(=O)c1ccccc1	mol14342	COP(=O)(O)NS(=O)(=O)c1ccccc1
1.04999995231628	QSARToolbox	0	-1	CO[P@@](=O)(O)NS(=O)(=O)c1ccccc1	CO[P@@](=O)([O-])NS(=O)(=O)c1ccccc1,CO[P@@](=O)(O)[N-]S(=O)(=O)c1ccccc1	mol14342	COP(=O)(O)NS(=O)(=O)c1ccccc1
6.25	Datawarrior	-1	-2	CO[P@@](=O)([O-])NS(=O)(=O)c1ccccc1,CO[P@@](=O)(O)[N-]S(=O)(=O)c1ccccc1	CO[P@@](=O)([O-])[N-]S(=O)(=O)c1ccccc1	mol14342	COP(=O)(O)NS(=O)(=O)c1ccccc1