pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	OCHEM	2	1	CCOP(=O)(OCC)C(C)(C)[NH2+]CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	CCOP(=O)(OCC)C(C)(C)NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	mol17824	CCOP(=O)(OCC)C(C)(C)NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1