[
  {
    "molid": "mol32773",
    "smiles": "Nc1cccc2nn(C3CC(O)C(CO)O3)nc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2nn([C@H]3C[C@@H](O)[C@@H](CO)O3)nc12",
        "std_free_energy": -7.6572065353393555,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2nn([C@H]3C[C@@H](O)[C@@H](CO)O3)nc12",
        "std_free_energy": 3.259338855743408,
        "relative_population": 0.2414580784921835
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2[nH+]n([C@H]3C[C@@H](O)[C@@H](CO)O3)nc12",
        "std_free_energy": 3.110469341278076,
        "relative_population": 0.28021730304193376
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Nc1cccc2nn([C@H]3C[C@@H](O)[C@@H](CO)O3)[nH+]c12",
        "std_free_energy": 2.676023006439209,
        "relative_population": 0.4326857523208895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4000001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]