[
  {
    "molid": "mol4041",
    "smiles": "Cc1cccnn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccnn1",
        "std_free_energy": -7.332705020904541,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc[nH+]n1",
        "std_free_energy": 0.4867067337036133,
        "relative_population": 0.5773430177615824
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccn[nH+]1",
        "std_free_energy": 0.7985823750495911,
        "relative_population": 0.4226569822384177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]