[
  {
    "molid": "mol33009",
    "smiles": "CC(CCC(O)C(C)C)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)[C@H](O)CC[C@H](C)CC(=O)O",
        "std_free_energy": -4.432934284210205,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)[C@H](O)CC[C@H](C)CC(=O)[O-]",
        "std_free_energy": -8.46026611328125,
        "relative_population": 0.99999935245646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]