[
  {
    "molid": "mol14812",
    "smiles": "Nc1cccc2c1nnn2[C@@H]1C[C@@H](O)[C@H](CO)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2c1nnn2[C@@H]1C[C@@H](O)[C@H](CO)O1",
        "std_free_energy": -7.777640342712402,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2c1nnn2[C@@H]1C[C@@H](O)[C@H](CO)O1",
        "std_free_energy": 3.9951376914978027,
        "relative_population": 0.32308771678391157
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2c1[nH+]nn2[C@@H]1C[C@@H](O)[C@H](CO)O1",
        "std_free_energy": 3.9379477500915527,
        "relative_population": 0.3421036621205978
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cccc2c1n[nH+]n2[C@@H]1C[C@@H](O)[C@H](CO)O1",
        "std_free_energy": 3.9595024585723877,
        "relative_population": 0.3348086210954907
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]