[
  {
    "molid": "mol31555",
    "smiles": "C/C(=N\\O)C(C)(C)NC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\[O-])C(C)(C)[NH2+]C(C)C",
        "std_free_energy": -2.8298873901367188,
        "relative_population": 0.2401857096215356
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(=N\\O)C(C)(C)NC(C)C",
        "std_free_energy": -3.981549024581909,
        "relative_population": 0.7598142903784644
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/C(=N\\O)C(C)(C)[NH2+]C(C)C",
        "std_free_energy": -9.691765785217285,
        "relative_population": 0.9988416193878944
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]