[
  {
    "molid": "mol25216",
    "smiles": "Cn1cnnn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cnnn1",
        "std_free_energy": -6.676329612731934,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cnn[nH+]1",
        "std_free_energy": 12.056238174438477,
        "relative_population": 0.0932979286411341
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1c[nH+]nn1",
        "std_free_energy": 10.08138656616211,
        "relative_population": 0.6722629205504059
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1cn[nH+]n1",
        "std_free_energy": 11.13484001159668,
        "relative_population": 0.23443915080846014
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]