[
  {
    "molid": "mol28004",
    "smiles": "CC(C)C(=N)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C(=[NH2+])N[O-]",
        "std_free_energy": -4.072160720825195,
        "relative_population": 0.7939040693895322
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C(=N)NO",
        "std_free_energy": -2.7235398292541504,
        "relative_population": 0.20609593061046788
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C(=[N-])NO",
        "std_free_energy": 7.5654683113098145,
        "relative_population": 0.05379327863760269
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)C(=N)[N-]O",
        "std_free_energy": 4.802337169647217,
        "relative_population": 0.8525907615390184
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(C)C(=N)N[O-]",
        "std_free_energy": 7.011415958404541,
        "relative_population": 0.09361595982337889
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]