[
  {
    "molid": "mol159",
    "smiles": "Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1OC[C@@H](O)CNCCOc1ccc(C(N)=O)cc1",
        "std_free_energy": -4.226028919219971,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccc(C(N)=O)cc1",
        "std_free_energy": -8.913739204406738,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]