[
  {
    "molid": "mol31913",
    "smiles": "Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncc2c(c1O)CO[C@@H]2c1ccc(Cl)cc1",
        "std_free_energy": -5.110936641693115,
        "relative_population": 0.7502735785667306
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1[nH+]cc2c(c1[O-])CO[C@@H]2c1ccc(Cl)cc1",
        "std_free_energy": -4.010864734649658,
        "relative_population": 0.2497264214332694
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]cc2c(c1O)CO[C@@H]2c1ccc(Cl)cc1",
        "std_free_energy": -0.670889139175415,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]