[
  {
    "molid": "mol10949",
    "smiles": "O=c1[nH]nc(-c2ccccc2)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]nc(-c2ccccc2)c(=O)[nH]1",
        "std_free_energy": -5.142660140991211,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(-c2ccccc2)n[nH]1",
        "std_free_energy": -5.850551128387451,
        "relative_population": 0.6089069459536656
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]nc(-c2ccccc2)c(=O)[nH]1",
        "std_free_energy": -5.407831192016602,
        "relative_population": 0.39109305404633443
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]