[
  {
    "molid": "mol34178",
    "smiles": "CCCCCP(=O)(O)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCC[P@](=O)(O)OCC",
        "std_free_energy": -2.7213451862335205,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCC[P@](=O)([O-])OCC",
        "std_free_energy": -10.709707260131836,
        "relative_population": 0.9999998972087194
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.95000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]