[
  {
    "molid": "mol15466",
    "smiles": "CCCCCCCc1c(-c2ccccc2)n[nH]c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCCc1c(-c2ccccc2)n[nH]c1O",
        "std_free_energy": -6.315937042236328,
        "relative_population": 0.999998258098399
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCCc1c(-c2ccccc2)n[nH]c1[O-]",
        "std_free_energy": 0.6833760142326355,
        "relative_population": 0.289036303091442
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCCCCc1c(-c2ccccc2)n[n-]c1O",
        "std_free_energy": -0.21669305860996246,
        "relative_population": 0.710963696908558
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.1999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]