[
  {
    "molid": "mol26457",
    "smiles": "Cc1ccc2[nH]c(C(C)O)nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2[nH]c([C@H](C)O)nc2c1",
        "std_free_energy": -7.063546657562256,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2[nH]c([C@H](C)O)[nH+]c2c1",
        "std_free_energy": -5.149968147277832,
        "relative_population": 0.995067669997004
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]