[
  {
    "molid": "mol10112",
    "smiles": "Cc1nc[nH]c2nc(=O)c(=O)[nH]c1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc[nH]c2nc(=O)c(=O)[nH]c1-2",
        "std_free_energy": -5.856980800628662,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc[nH]c2nc(=O)c(=O)[n-]c1-2",
        "std_free_energy": -2.1493890285491943,
        "relative_population": 0.3466348673457316
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc[n-]c2nc(=O)c(=O)[nH]c1-2",
        "std_free_energy": -2.7832531929016113,
        "relative_population": 0.6533651326542683
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc[n-]c2nc(=O)c(=O)[n-]c1-2",
        "std_free_energy": 6.410228729248047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.17,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]