[
  {
    "molid": "mol34429",
    "smiles": "CCOP(=O)(CCCCC(=O)O)OCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOP(=O)(CCCCC(=O)O)OCC",
        "std_free_energy": -4.199218273162842,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOP(=O)(CCCCC(=O)[O-])OCC",
        "std_free_energy": -8.475567817687988,
        "relative_population": 0.9999991274093677
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.67999982833862,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]