[
  {
    "molid": "mol8822",
    "smiles": "NNc1ccccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[NH2+]c1ccccc1C(=O)[O-]",
        "std_free_energy": -5.067016124725342,
        "relative_population": 0.48614331140575795
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]Nc1ccccc1C(=O)[O-]",
        "std_free_energy": -4.381808280944824,
        "relative_population": 0.24500916452933055
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "NNc1ccccc1C(=O)O",
        "std_free_energy": -4.47465705871582,
        "relative_population": 0.2688475240649114
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Nc1ccccc1C(=O)O",
        "std_free_energy": 1.9639744758605957,
        "relative_population": 0.6855019456427963
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "N[NH2+]c1ccccc1C(=O)O",
        "std_free_energy": 2.793647527694702,
        "relative_population": 0.29901037908495925
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.45,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.45000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]