[
  {
    "molid": "mol9002",
    "smiles": "O=c1nc[nH]c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1nc[nH]c(=O)[nH]1",
        "std_free_energy": -5.704360485076904,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1nc[n-]c(=O)[nH]1",
        "std_free_energy": -4.918312072753906,
        "relative_population": 0.7938020001490749
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1nc[nH]c(=O)[n-]1",
        "std_free_energy": -3.570314884185791,
        "relative_population": 0.20619799985092505
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]