[
  {
    "molid": "mol31826",
    "smiles": "CN[C@@H](C)Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN[C@@H](C)Cc1ccc(O)cc1",
        "std_free_energy": -1.9098193645477295,
        "relative_population": 0.2596762807553809
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH2+][C@@H](C)Cc1ccc([O-])cc1",
        "std_free_energy": -2.9574711322784424,
        "relative_population": 0.740323719244619
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH2+][C@@H](C)Cc1ccc(O)cc1",
        "std_free_energy": -10.052635192871094,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.62,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]