[
  {
    "molid": "mol25497",
    "smiles": "Cc1cc(NC(=O)C2CCOC2)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(NC(=O)[C@@H]2CCOC2)no1",
        "std_free_energy": -6.477383613586426,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([N-]C(=O)[C@@H]2CCOC2)no1",
        "std_free_energy": 1.1491129398345947,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]