pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.85	Datawarrior	1	0	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=[NH+]O,O=C1C=C(S(=O)(=O)O)c2c[nH+][nH]c2C1=NO	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO	mol14602	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO
5.8499999	OCHEM	1	0	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=[NH+]O,O=C1C=C(S(=O)(=O)O)c2c[nH+][nH]c2C1=NO	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO	mol14602	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO
5.84999990463257	QSARToolbox	1	0	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=[NH+]O,O=C1C=C(S(=O)(=O)O)c2c[nH+][nH]c2C1=NO	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO	mol14602	O=C1C=C(S(=O)(=O)O)c2cn[nH]c2C1=NO