[
  {
    "molid": "mol13566",
    "smiles": "CC1=CC(=O)CC(=O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC(=O)CC(=O)O1",
        "std_free_energy": -2.990617275238037,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(=O)[cH-]c(=O)o1",
        "std_free_energy": -6.083428859710693,
        "relative_population": 0.5001540183972282
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C1=CC(=O)CC(=O)O1",
        "std_free_energy": -6.082812786102295,
        "relative_population": 0.4998459816027719
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]