[
  {
    "molid": "mol8227",
    "smiles": "Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1O",
        "std_free_energy": -6.614290237426758,
        "relative_population": 0.9999997420069439
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1[O-]",
        "std_free_energy": -2.964376449584961,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]