[
  {
    "molid": "mol35365",
    "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OCC1CCP(=O)(O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H]1CC[P@](=O)(O)O1",
        "std_free_energy": -1.9753280878067017,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H]1CC[P@](=O)([O-])O1",
        "std_free_energy": -10.833560943603516,
        "relative_population": 0.9999989299196975
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.57999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]