[
  {
    "molid": "mol5067",
    "smiles": "c1cnc2c(c1)ccc1ncccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cnc2c(c1)ccc1ncccc12",
        "std_free_energy": -7.384512901306152,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1cnc2c(c1)ccc1[nH+]cccc12",
        "std_free_energy": -1.351059079170227,
        "relative_population": 0.5750391893324813
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1c[nH+]c2c(c1)ccc1ncccc12",
        "std_free_energy": -1.0486178398132324,
        "relative_population": 0.4249608106675187
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1c[nH+]c2c(c1)ccc1[nH+]cccc12",
        "std_free_energy": 10.972326278686523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.0,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]