pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.16	Hunt	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12
0.68	OCHEM	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12
0.170000001788139	QSARToolbox	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12
1.66999995708466	QSARToolbox	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12
0.425	AttenGpKa training set	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12
-3.4	AttenGpKa training set	0	-1	O=S(=O)(O)c1cccc2ccccc12	O=S(=O)([O-])c1cccc2ccccc12	mol1439	O=S(=O)(O)c1cccc2ccccc12