pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.13	AttenGpKa training set	0	-1	COc1ccc(CN[P@](C)(=O)S)cc1	COc1ccc(C[N-][P@](C)(=O)S)cc1,[CH2-][P@@](=O)(S)NCc1ccc(OC)cc1	mol28995	COc1ccc(CNP(C)(=O)S)cc1