[
  {
    "molid": "mol26675",
    "smiles": "C[n+]1c2ccccc2cc2[nH]c3ccccc3c21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1c2ccccc2cc2[n-]c3ccccc3c21",
        "std_free_energy": -2.278169870376587,
        "relative_population": 0.9987216672362519
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c2ccccc2cc2[nH]c3ccccc3c21",
        "std_free_energy": -5.18311882019043,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]