[
  {
    "molid": "mol13199",
    "smiles": "Cc1nc2ncccc2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2ncccc2[nH]1",
        "std_free_energy": -7.367682456970215,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc2[nH+]cccc2[nH]1",
        "std_free_energy": -1.6056822538375854,
        "relative_population": 0.3399561887195345
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH]c2cccnc2[nH+]1",
        "std_free_energy": -2.269171714782715,
        "relative_population": 0.6600438112804655
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 4.5999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.6100001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]