pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.75	AttenGpKa training set	1	0	CN(C)S(=O)(=O)c1cc[nH+]c2ccccc12,C[NH+](C)S(=O)(=O)c1ccnc2ccccc12	CN(C)S(=O)(=O)c1ccnc2ccccc12	mol26127	CN(C)S(=O)(=O)c1ccnc2ccccc12