[
  {
    "molid": "mol28984",
    "smiles": "COc1ccc(CNP(C)(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(CN[P@](C)(=O)O)cc1",
        "std_free_energy": -3.2058701515197754,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(CN[P@](C)(=O)[O-])cc1",
        "std_free_energy": -11.554298400878906,
        "relative_population": 0.9999998846158362
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]