[
  {
    "molid": "mol10158",
    "smiles": "Cn1c(=O)c(=O)[nH]c2c(=O)nc(N)[nH]c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)c(=O)[nH]c2c(=O)nc(N)[nH]c21",
        "std_free_energy": -5.792779922485352,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)c(=O)[n-]c2c(=O)nc(N)[nH]c21",
        "std_free_energy": -5.410351753234863,
        "relative_population": 0.7094899367957369
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cn1c(=O)c(=O)[nH]c2c(=O)nc(N)[n-]c21",
        "std_free_energy": -4.517443656921387,
        "relative_population": 0.2905100632042631
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cn1c(=O)c(=O)[n-]c2c(=O)nc(N)[n-]c21",
        "std_free_energy": 6.537627220153809,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]