[
  {
    "molid": "mol28907",
    "smiles": "CP(=O)(O)OC1CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[P@](=O)(O)OC1CCCC1",
        "std_free_energy": -2.3042373657226562,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[P@](=O)([O-])OC1CCCC1",
        "std_free_energy": -11.186016082763672,
        "relative_population": 0.9999999471699953
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]