[
  {
    "molid": "mol9870",
    "smiles": "Cn1c(Br)nc2c(=O)[nH]c(=O)[nH]c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(Br)nc2c(=O)[nH]c(=O)[nH]c21",
        "std_free_energy": -5.476571559906006,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(Br)nc2c(=O)[n-]c(=O)[nH]c21",
        "std_free_energy": -4.3801798820495605,
        "relative_population": 0.12183178969905996
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(Br)nc2c(=O)[nH]c(=O)[n-]c21",
        "std_free_energy": -6.355376720428467,
        "relative_population": 0.8781682103009399
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]