[
  {
    "molid": "mol13398",
    "smiles": "CCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.014190196990967,
        "relative_population": 0.9999749442531639
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": -2.4681098461151123,
        "relative_population": 0.709151826177854
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": -1.5768415927886963,
        "relative_population": 0.2908481738221461
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.8000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]