[
  {
    "molid": "mol34115",
    "smiles": "CCOP(=O)(O)CP(=O)(O)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCO[P@@](=O)(O)C[P@@](=O)(O)OCC",
        "std_free_energy": -0.9582522511482239,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCO[P@@](=O)([O-])C[P@@](=O)(O)OCC",
        "std_free_energy": -11.083894729614258,
        "relative_population": 0.999999486625268
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.680000007152557,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]