[
  {
    "molid": "mol36816",
    "smiles": "CC1(C)C=CP(=O)(O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)C=C[P@@](=O)(O)O1",
        "std_free_energy": -2.370788335800171,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)C=C[P@@](=O)([O-])O1",
        "std_free_energy": -11.10417366027832,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]