pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.94	AttenGpKa training set	1	0	C[NH+](C)S(=O)(=O)c1cnc2ccccc2c1,CN(C)S(=O)(=O)c1c[nH+]c2ccccc2c1	CN(C)S(=O)(=O)c1cnc2ccccc2c1	mol26128	CN(C)S(=O)(=O)c1cnc2ccccc2c1