[
  {
    "molid": "mol26525",
    "smiles": "COc1ccc(OC)c2[nH]c(C(C)O)nc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(OC)c2[nH]c([C@H](C)O)nc12",
        "std_free_energy": -6.38171911239624,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc(OC)c2[nH+]c([C@H](C)O)[nH]c12",
        "std_free_energy": -3.6341822147369385,
        "relative_population": 0.9875326774883671
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]