[
  {
    "molid": "mol35149",
    "smiles": "CCC(N)c1cc(O)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H]([NH3+])c1cc([O-])no1",
        "std_free_energy": -7.753674030303955,
        "relative_population": 0.9822402090171862
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H]([NH3+])c1cc(O)no1",
        "std_free_energy": -3.8423235416412354,
        "relative_population": 0.9244926163889549
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC[C@@H](N)c1cc([OH2+])no1",
        "std_free_energy": -0.9900549650192261,
        "relative_population": 0.05335546917954654
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.65000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]