[
  {
    "molid": "mol31687",
    "smiles": "CCCC(CCC)(CCC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC(CCC)(CCC(=O)O)C(=O)O",
        "std_free_energy": -3.400423526763916,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC(CCC)(CCC(=O)[O-])C(=O)O",
        "std_free_energy": -8.823801040649414,
        "relative_population": 0.7505381151442064
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCC(CCC)(CCC(=O)O)C(=O)[O-]",
        "std_free_energy": -7.722316741943359,
        "relative_population": 0.24946188485579346
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]