[
  {
    "molid": "mol13635",
    "smiles": "OC(O)c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC(O)c1cccnc1",
        "std_free_energy": -7.348956108093262,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]C(O)c1cccnc1",
        "std_free_energy": 8.105207443237305,
        "relative_population": 0.5260339169247247
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]C([O-])c1ccc[nH+]c1",
        "std_free_energy": 8.209437370300293,
        "relative_population": 0.4739660830752754
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]