[
  {
    "molid": "mol11053",
    "smiles": "CC1(C)C(=O)NC(=O)C12CCC(=O)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)C(=O)NC(=O)[C@@]12CCC(=O)O2",
        "std_free_energy": -4.716745376586914,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)C(=O)[N-]C(=O)[C@@]12CCC(=O)O2",
        "std_free_energy": -1.5375571250915527,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]