[
  {
    "molid": "mol14921",
    "smiles": "Cc1nn(-c2ccccc2)c(C(=O)O)c1C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nn(-c2ccccc2)c(C(=O)[O-])c1C(=O)O",
        "std_free_energy": -9.802876472473145,
        "relative_population": 0.556013144806171
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nn(-c2ccccc2)c(C(=O)O)c1C(=O)[O-]",
        "std_free_energy": -9.577877044677734,
        "relative_population": 0.4439857680217552
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nn(-c2ccccc2)c(C(=O)[O-])c1C(=O)[O-]",
        "std_free_energy": -11.911797523498535,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.89,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.8899999,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]