[
  {
    "molid": "mol34327",
    "smiles": "CCCCP(=O)(CCCC)C(C)(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCP(=O)(CCCC)C(C)(C)O",
        "std_free_energy": -7.1806840896606445,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC[CH-]P(=O)(CCCC)C(C)(C)O",
        "std_free_energy": 7.037640571594238,
        "relative_population": 0.9233683771044817
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCP(=O)(CCCC)C(C)(C)[O-]",
        "std_free_energy": 9.52665901184082,
        "relative_population": 0.0766316228955183
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 13.0699996948242,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]