[
  {
    "molid": "mol38024",
    "smiles": "O=c1[nH]c(=O)c2[nH]cnc(=O)c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c(=O)c2[nH]cnc(=O)c2[nH]1",
        "std_free_energy": -4.914146423339844,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c2c(=O)nc[nH]c2c(=O)[nH]1",
        "std_free_energy": -5.528589248657227,
        "relative_population": 0.5859914172240493
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[nH]c(=O)c2[n-]cnc(=O)c2[nH]1",
        "std_free_energy": -4.9122161865234375,
        "relative_population": 0.3163762218727707
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c2[nH]cnc(=O)c2[nH]1",
        "std_free_energy": -3.7364931106567383,
        "relative_population": 0.09763236090318013
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.73999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]