[
  {
    "molid": "mol31575",
    "smiles": "CC1C/C(=N\\O)C(=O)/C(=N/O)C1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1C/C(=N\\[O-])C(=O)/C(=N/O)C1",
        "std_free_energy": -3.072640895843506,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1C/C(=N\\[O-])C(=O)/C(=N/[O-])C1",
        "std_free_energy": 8.876444816589355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]