[
  {
    "molid": "mol12384",
    "smiles": "Nc1ncccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1[nH+]cccc1[O-]",
        "std_free_energy": -3.532588005065918,
        "relative_population": 0.15220150397158927
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Nc1ncccc1O",
        "std_free_energy": -5.240731239318848,
        "relative_population": 0.8399552034419957
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ncccc1[O-]",
        "std_free_energy": 1.9156296253204346,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]