[
  {
    "molid": "mol25215",
    "smiles": "Cn1ncnn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1ncnn1",
        "std_free_energy": -6.912538528442383,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1nnc[nH+]1",
        "std_free_energy": 7.492225170135498,
        "relative_population": 0.1663507351348025
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nc[nH+]n1",
        "std_free_energy": 6.135412216186523,
        "relative_population": 0.6460722732424482
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1ncn[nH+]1",
        "std_free_energy": 7.372134208679199,
        "relative_population": 0.18757699162274938
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]