pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84	Datawarrior	0	-1	N#Cc1cccc(S(N)(=O)=O)c1	N#Cc1cccc(S([NH-])(=O)=O)c1	mol12603	N#Cc1cccc(S(N)(=O)=O)c1
8.8400002	OCHEM	0	-1	N#Cc1cccc(S(N)(=O)=O)c1	N#Cc1cccc(S([NH-])(=O)=O)c1	mol12603	N#Cc1cccc(S(N)(=O)=O)c1
8.84000015258789	QSARToolbox	0	-1	N#Cc1cccc(S(N)(=O)=O)c1	N#Cc1cccc(S([NH-])(=O)=O)c1	mol12603	N#Cc1cccc(S(N)(=O)=O)c1