[
  {
    "molid": "mol7460",
    "smiles": "NNc1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1ncccn1",
        "std_free_energy": -7.051957607269287,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NNc1nccc[nH+]1",
        "std_free_energy": -3.776308298110962,
        "relative_population": 0.7034084527797004
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]c1ncccn1",
        "std_free_energy": -2.579207181930542,
        "relative_population": 0.21247761057603848
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]Nc1ncccn1",
        "std_free_energy": -1.6525428295135498,
        "relative_population": 0.08411393664426116
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]Nc1nccc[nH+]1",
        "std_free_energy": 8.45050048828125,
        "relative_population": 0.0529071693604801
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "[NH3+][NH2+]c1ncccn1",
        "std_free_energy": 7.529433727264404,
        "relative_population": 0.13290114980821308
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "NNc1[nH+]ccc[nH+]1",
        "std_free_energy": 5.757664680480957,
        "relative_population": 0.7816246703554443
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.55000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": -0.46,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]