[
  {
    "molid": "mol38260",
    "smiles": "Oc1ccccc1C=Nc1ncccn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1ccccc1C=Nc1ncccn1",
        "std_free_energy": -7.756337642669678,
        "relative_population": 0.9990552107660469
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccccc1C=Nc1nccc[nH+]1",
        "std_free_energy": 0.8190988302230835,
        "relative_population": 0.5553410535559912
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1ccccc1C=[NH+]c1ncccn1",
        "std_free_energy": 1.04141366481781,
        "relative_population": 0.44464117177676304
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.83999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]