[
  {
    "molid": "mol33613",
    "smiles": "Nc1cccc2c1[N]C=N2",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc2[nH+]c[nH]c12",
        "std_free_energy": -4.607933521270752,
        "relative_population": 0.8052746935098896
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2nc[nH]c12",
        "std_free_energy": -3.188339948654175,
        "relative_population": 0.1947253064901105
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]c1cccc2[nH+]c[nH]c12",
        "std_free_energy": 5.887300491333008,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]