[
  {
    "molid": "mol31551",
    "smiles": "CC1CCCC(=N/O)/C1=N\\O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H]1CCCC(=N/[O-])/C1=N\\O",
        "std_free_energy": 1.1191790103912354,
        "relative_population": 0.423877890166639
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H]1CCCC(=N/O)/C1=N\\[O-]",
        "std_free_energy": 0.8123047947883606,
        "relative_population": 0.576122109833361
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@H]1CCCC(=N/[O-])/C1=N\\[O-]",
        "std_free_energy": 16.2283935546875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.61,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]