[
  {
    "molid": "mol34431",
    "smiles": "CCP(=O)(CC)CCCCC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCP(=O)(CC)CCCCC(=O)O",
        "std_free_energy": -4.245858669281006,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCP(=O)(CC)CCCCC(=O)[O-]",
        "std_free_energy": -8.432038307189941,
        "relative_population": 0.9999990268954583
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.61999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]