[
  {
    "molid": "mol10144",
    "smiles": "Cc1nc2c(=O)nc(N)[nH]c2[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2c(=O)nc(N)[nH]c2[nH]c1=O",
        "std_free_energy": -6.207431793212891,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2c(=O)nc(N)[n-]c2[nH]c1=O",
        "std_free_energy": -3.4062533378601074,
        "relative_population": 0.3927238715850552
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc2c(=O)nc(N)[nH]c2[n-]c1=O",
        "std_free_energy": -3.842130184173584,
        "relative_population": 0.6072761284149448
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc2c(=O)nc(N)[n-]c2[n-]c1=O",
        "std_free_energy": 7.438420295715332,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.15,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]