[
  {
    "molid": "mol38304",
    "smiles": "C[C@@]1(N)C[C@H]1N",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@]1(N)C[C@H]1[NH3+]",
        "std_free_energy": -7.530490875244141,
        "relative_population": 0.4489182506543318
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@]1([NH3+])C[C@H]1N",
        "std_free_energy": -7.735533237457275,
        "relative_population": 0.5510817493456682
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@@]1([NH3+])C[C@H]1[NH3+]",
        "std_free_energy": -6.826951503753662,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.82999992370606,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]