[
  {
    "molid": "mol10108",
    "smiles": "Cc1[nH]c(=O)[nH]c2nc(=O)cnc1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1[nH]c(=O)[nH]c2nc(=O)cnc1-2",
        "std_free_energy": -5.504974842071533,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1[nH]c(=O)[n-]c2nc(=O)cnc1-2",
        "std_free_energy": -3.6788129806518555,
        "relative_population": 0.6837692211383255
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1[n-]c(=O)[nH]c2nc(=O)cnc1-2",
        "std_free_energy": -2.9076647758483887,
        "relative_population": 0.3162307788616745
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]