pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.3	AttenGpKa training set	1	0	C[NH+](C)S(=O)(=O)c1cccc2cccnc12,CN(C)S(=O)(=O)c1cccc2ccc[nH+]c12	CN(C)S(=O)(=O)c1cccc2cccnc12	mol26123	CN(C)S(=O)(=O)c1cccc2cccnc12