[
  {
    "molid": "mol34794",
    "smiles": "Cc1c(O)noc1C(C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c([O-])noc1[C@H](C)[NH3+]",
        "std_free_energy": -6.686724662780762,
        "relative_population": 0.9187528117827165
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(O)noc1[C@H](C)N",
        "std_free_energy": -4.261203765869141,
        "relative_population": 0.0812471882172835
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1c(O)noc1[C@H](C)[NH3+]",
        "std_free_energy": -3.789581298828125,
        "relative_population": 0.9607740106968551
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.63000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]