[
  {
    "molid": "mol12697",
    "smiles": "CC1CC(C(=O)O)=[N+]([O-])C1(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CC(C(=O)O)=[N+]([O-])C1(C)C",
        "std_free_energy": -2.521627426147461,
        "relative_population": 0.9932469313854831
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CC(C(=O)O)=[N+](O)C1(C)C",
        "std_free_energy": 9.35073471069336,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.85,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.8499999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]