pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.74	AttenGpKa training set	0	-1	O=S(=O)([O-])c1ccc2cc3ccccc3[nH+]c2c1	O=S(=O)([O-])c1ccc2cc3ccccc3nc2c1	mol26715	O=S(=O)(O)c1ccc2cc3ccccc3nc2c1
1.5	AttenGpKa training set	1	0	O=S(=O)(O)c1ccc2cc3ccccc3[nH+]c2c1	O=S(=O)([O-])c1ccc2cc3ccccc3[nH+]c2c1	mol26715	O=S(=O)(O)c1ccc2cc3ccccc3nc2c1