[
  {
    "molid": "mol25208",
    "smiles": "n1nn[nH]n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "n1nn[nH]n1",
        "std_free_energy": -1.8620314598083496,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "n1n[nH][nH+]n1",
        "std_free_energy": 11.482601165771484,
        "relative_population": 0.6519047544672972
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "n1n[nH+]n[nH]1",
        "std_free_energy": 12.110023498535156,
        "relative_population": 0.3480952455327028
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "n1n[nH+][nH][nH+]1",
        "std_free_energy": 19.123144149780273,
        "relative_population": 0.22375107225815818
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "n1n[nH+][nH+][nH]1",
        "std_free_energy": 18.14144515991211,
        "relative_population": 0.5971886972380935
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "n1[nH][nH+]n[nH+]1",
        "std_free_energy": 20.024009704589844,
        "relative_population": 0.09089169151667416
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "n1[nH]n[nH+][nH+]1",
        "std_free_energy": 20.054428100585938,
        "relative_population": 0.0881685389870742
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.77,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": -8.9,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]