pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.31	AttenGpKa training set	0	-1	COc1ccc(CN[P@@](C)(=S)S)cc1	""	mol29014	COc1ccc(CNP(C)(=S)S)cc1