[
  {
    "molid": "mol7891",
    "smiles": "COc1cccc2nc(=N)n(C)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc2nc(=N)n(C)cc12",
        "std_free_energy": -1.1165834665298462,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc2nc(=[NH2+])n(C)cc12",
        "std_free_energy": -9.271143913269043,
        "relative_population": 0.7009885682635804
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cccc2[nH+]c(=N)n(C)cc12",
        "std_free_energy": -8.419134140014648,
        "relative_population": 0.2990114317364197
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]