[
  {
    "molid": "mol13648",
    "smiles": "Cc1ncc(C(=O)O)s1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ncc(C(=O)O)s1",
        "std_free_energy": -3.563098907470703,
        "relative_population": 0.9621641888638637
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncc(C(=O)[O-])s1",
        "std_free_energy": -11.541500091552734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.25999999046326,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]