[
  {
    "molid": "mol8912",
    "smiles": "NNC(N)=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNC(N)=S",
        "std_free_energy": -6.020854949951172,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NC(=S)N[NH3+]",
        "std_free_energy": -0.9205319881439209,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=S)NN",
        "std_free_energy": 6.355217933654785,
        "relative_population": 0.3943838491394462
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N[N-]C(N)=S",
        "std_free_energy": 5.926296234130859,
        "relative_population": 0.6056161508605538
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 13.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.82000005245209,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]