[
  {
    "molid": "mol13931",
    "smiles": "CCc1cnc(C(=O)O)cc1CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1c[nH+]c(C(=O)[O-])cc1CC",
        "std_free_energy": -8.434281349182129,
        "relative_population": 0.9743882988906073
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCc1cnc(C(=O)[O-])cc1CC",
        "std_free_energy": -8.544046401977539,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.5799999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]