[
  {
    "molid": "mol8423",
    "smiles": "Nc1nc2ccc3ccccc3c2c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nc2ccc3ccccc3c2c2ccccc12",
        "std_free_energy": -4.767708778381348,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1nc2ccc3ccccc3c2c2ccccc12",
        "std_free_energy": -4.606680393218994,
        "relative_population": 0.287173682113502
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1[nH+]c2ccc3ccccc3c2c2ccccc12",
        "std_free_energy": -5.515830993652344,
        "relative_population": 0.712826317886498
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]