[
  {
    "molid": "mol26283",
    "smiles": "O=c1[nH]c(-c2ccccc2)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c(-c2ccccc2)nc2ccccc12",
        "std_free_energy": -6.787384986877441,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=c1[nH]c(-c2ccccc2)[nH+]c2ccccc12",
        "std_free_energy": 0.794437825679779,
        "relative_population": 0.9527106581459245
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c(-c2ccccc2)nc2ccccc12",
        "std_free_energy": 0.7797625064849854,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 2.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]