[
  {
    "molid": "mol26599",
    "smiles": "Nc1ccc2ccc3cccnc3c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2ccc3cccnc3c2n1",
        "std_free_energy": -6.035295009613037,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc2ccc3cccnc3c2n1",
        "std_free_energy": -3.1965503692626953,
        "relative_population": 0.24282575758212882
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc2ccc3ccc[nH+]c3c2n1",
        "std_free_energy": -3.57796573638916,
        "relative_population": 0.35558328813113516
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1ccc2ccc3cccnc3c2[nH+]1",
        "std_free_energy": -3.6996402740478516,
        "relative_population": 0.4015909542867361
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.73,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]