[
  {
    "molid": "mol28901",
    "smiles": "CCP(=O)(O)OC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[P@](=O)(O)OC(C)C",
        "std_free_energy": -2.4814233779907227,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[P@](=O)([O-])OC(C)C",
        "std_free_energy": -10.755160331726074,
        "relative_population": 0.9999999282883156
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]