[
  {
    "molid": "mol10620",
    "smiles": "Cn1c(=O)[nH]c2c([nH]c(=O)c(=O)n2C)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)[nH]c2c([nH]c(=O)c(=O)n2C)c1=O",
        "std_free_energy": -4.159183502197266,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)[n-]c2c([nH]c(=O)c(=O)n2C)c1=O",
        "std_free_energy": -5.5808939933776855,
        "relative_population": 0.33708194567784094
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(=O)[nH]c2c([n-]c(=O)c(=O)n2C)c1=O",
        "std_free_energy": -6.257219314575195,
        "relative_population": 0.662918054322159
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]