[
  {
    "molid": "mol4556",
    "smiles": "Nc1cccc2nnccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2nnccc12",
        "std_free_energy": -7.961472511291504,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc2[nH+]nccc12",
        "std_free_energy": 1.539577603340149,
        "relative_population": 0.313704237839957
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2n[nH+]ccc12",
        "std_free_energy": 1.6285173892974854,
        "relative_population": 0.28700821480402594
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2nnccc12",
        "std_free_energy": 1.2983464002609253,
        "relative_population": 0.39928754735601707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]