[
  {
    "molid": "mol11355",
    "smiles": "COc1nc2c(nc1C(=O)O)c(=O)n(C)c(=O)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1nc2c(nc1C(=O)O)c(=O)n(C)c(=O)n2C",
        "std_free_energy": -3.2862777709960938,
        "relative_population": 0.9998027311974913
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1nc2c(nc1C(=O)[O-])c(=O)n(C)c(=O)n2C",
        "std_free_energy": -10.585219383239746,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]