[
  {
    "molid": "mol26428",
    "smiles": "NCCn1nnc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCn1nnc2ccccc21",
        "std_free_energy": -3.9816722869873047,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCn1nnc2ccccc21",
        "std_free_energy": -8.104805946350098,
        "relative_population": 0.9765632636402527
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]