[
  {
    "molid": "mol26387",
    "smiles": "COn1nnc2ccccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COn1nnc2ccccc21",
        "std_free_energy": -7.417898178100586,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COn1[nH+]nc2ccccc21",
        "std_free_energy": 9.040241241455078,
        "relative_population": 0.25486948718471614
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COn1n[nH+]c2ccccc21",
        "std_free_energy": 7.967433452606201,
        "relative_population": 0.7451305128152839
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]