[
  {
    "molid": "mol1140",
    "smiles": "CN(C)C[C@H](O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C[C@H](O)c1ccc(O)cc1",
        "std_free_energy": -3.74666690826416,
        "relative_population": 0.65776656223619
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)C[C@H](O)c1ccc([O-])cc1",
        "std_free_energy": -3.0933098793029785,
        "relative_population": 0.3422334377638099
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C[C@H](O)c1ccc([O-])cc1",
        "std_free_energy": 3.3161895275115967,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.56,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]