[
  {
    "molid": "mol7390",
    "smiles": "COc1cnc(C)nc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cnc(C)nc1OC",
        "std_free_energy": -6.752010345458984,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1c[nH+]c(C)nc1OC",
        "std_free_energy": 0.6556063294410706,
        "relative_population": 0.6064693643924611
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cnc(C)[nH+]c1OC",
        "std_free_energy": 1.0881016254425049,
        "relative_population": 0.3935306356075389
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.1100001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]