pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.68	AttenGpKa training set	1	0	CN(C)S(=O)(=O)c1cccc2[nH+]cccc12,C[NH+](C)S(=O)(=O)c1cccc2ncccc12	CN(C)S(=O)(=O)c1cccc2ncccc12	mol26126	CN(C)S(=O)(=O)c1cccc2ncccc12