[
  {
    "molid": "mol8358",
    "smiles": "Cc1ncc2nn[nH]c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncc2nn[nH]c2n1",
        "std_free_energy": -5.536063194274902,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc2[nH]nnc2c[nH+]1",
        "std_free_energy": 4.860625267028809,
        "relative_population": 0.3408979239141542
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ncc2nn[nH]c2[nH+]1",
        "std_free_energy": 5.1344404220581055,
        "relative_population": 0.259243541377986
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ncc2n[nH+][nH]c2n1",
        "std_free_energy": 5.283512592315674,
        "relative_population": 0.22334010939343
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1ncc2[nH+]n[nH]c2n1",
        "std_free_energy": 5.518783092498779,
        "relative_population": 0.1765184253144299
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]