[
  {
    "molid": "mol4010",
    "smiles": "O=c1cc[nH][nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc[nH][nH]1",
        "std_free_energy": -7.049529075622559,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[OH+]=c1cc[nH][nH]1",
        "std_free_energy": 4.955043792724609,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc[nH][n-]1",
        "std_free_energy": 5.776478290557861,
        "relative_population": 0.1548795784270565
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cc[n-][nH]1",
        "std_free_energy": 4.079647064208984,
        "relative_population": 0.8451204215729435
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]