[
  {
    "molid": "mol24444",
    "smiles": "CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1",
        "std_free_energy": -4.476418495178223,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1",
        "std_free_energy": -7.797715187072754,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]