[
  {
    "molid": "mol31578",
    "smiles": "CCCC(=N\\O)/C(CCC)=N/O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC(=N\\[O-])/C(CCC)=N/O",
        "std_free_energy": 1.5128929615020752,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCC(=N\\[O-])/C(CCC)=N/[O-]",
        "std_free_energy": 16.097190856933594,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.81,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]