[
  {
    "molid": "mol12837",
    "smiles": "Cc1ncc2c(c1O)C(=O)OC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH+]cc2c(c1[O-])C(=O)OC2",
        "std_free_energy": -3.3358030319213867,
        "relative_population": 0.10229573088416155
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc2c(c1O)C(=O)OC2",
        "std_free_energy": -5.507775783538818,
        "relative_population": 0.8977042691158384
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncc2c(c1[O-])C(=O)OC2",
        "std_free_energy": -4.094694137573242,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.0500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]