pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	Datawarrior	0	-1	Cc1cccc([N-]S(=O)(=O)c2ccc(N)cc2)[n+]1O,Cc1cccc(NS(=O)(=O)c2ccc(N)cc2)[n+]1[O-]	Cc1cccc([N-]S(=O)(=O)c2ccc(N)cc2)[n+]1[O-]	mol15508	Cc1cccc(NS(=O)(=O)c2ccc(N)cc2)[n+]1[O-]
5.9000001	OCHEM	0	-1	Cc1cccc([N-]S(=O)(=O)c2ccc(N)cc2)[n+]1O,Cc1cccc(NS(=O)(=O)c2ccc(N)cc2)[n+]1[O-]	Cc1cccc([N-]S(=O)(=O)c2ccc(N)cc2)[n+]1[O-]	mol15508	Cc1cccc(NS(=O)(=O)c2ccc(N)cc2)[n+]1[O-]