[
  {
    "molid": "mol30549",
    "smiles": "Nc1ccc2cccc(O)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2cccc(O)c2c1",
        "std_free_energy": -6.249215126037598,
        "relative_population": 0.9999992589052591
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc2cccc(O)c2c1",
        "std_free_energy": -1.6935676336288452,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc2cccc([O-])c2c1",
        "std_free_energy": 2.336479902267456,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]