pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.88	AttenGpKa training set	1	0	CN(C)S(=O)(=O)c1ccc2ccc[nH+]c2c1,C[NH+](C)S(=O)(=O)c1ccc2cccnc2c1	CN(C)S(=O)(=O)c1ccc2cccnc2c1	mol26124	CN(C)S(=O)(=O)c1ccc2cccnc2c1