[
  {
    "molid": "mol22385",
    "smiles": "C/C(=N\\O)C(=O)N[C@@H](C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\O)C(=O)N[C@@H](C)C(=O)O",
        "std_free_energy": -3.8388495445251465,
        "relative_population": 0.9685925582036146
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=N\\O)C(=O)N[C@@H](C)C(=O)[O-]",
        "std_free_energy": -10.40061092376709,
        "relative_population": 0.9997838290769342
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/C(=N\\[O-])C(=O)N[C@@H](C)C(=O)[O-]",
        "std_free_energy": -2.032435417175293,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.17,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]