[
  {
    "molid": "mol26497",
    "smiles": "c1ccc(-c2noc3ccccc23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2noc3ccccc23)cc1",
        "std_free_energy": -6.6140336990356445,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2[nH+]oc3ccccc23)cc1",
        "std_free_energy": 6.761399269104004,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -4.31,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]