[
  {
    "molid": "mol8094",
    "smiles": "COc1cnc2c(N)ncnc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cnc2c(N)ncnc2n1",
        "std_free_energy": -7.25960111618042,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1c[nH+]c2c(N)ncnc2n1",
        "std_free_energy": 0.36598625779151917,
        "relative_population": 0.15576335669807567
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cnc2c(N)nc[nH+]c2n1",
        "std_free_energy": -0.16165798902511597,
        "relative_population": 0.2640087266515437
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "COc1cnc2c([NH3+])ncnc2n1",
        "std_free_energy": 0.005679182708263397,
        "relative_population": 0.22332876903802462
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "COc1cnc2c(N)[nH+]cnc2n1",
        "std_free_energy": 0.05371274799108505,
        "relative_population": 0.21285505073668623
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "COc1cnc2c(N)ncnc2[nH+]1",
        "std_free_energy": 0.4442046880722046,
        "relative_population": 0.1440440968756698
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]