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    "molid": "mol30214",
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    "microspecies": [
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        "charge": 1,
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        "id": "2_6",
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      {
        "id": "2_15",
        "charge": 2,
        "smiles": "[NH3+]c1nc([O-])c2ncn([C@H]3C[C@H](O)[C@@H](CO[P@@](=O)(O)O[C@H]4C[C@H](n5cnc6c(O)nc([NH3+])[nH+]c65)O[C@@H]4COP(=O)([O-])O)O3)c2[nH+]1",
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      {
        "id": "2_29",
        "charge": 2,
        "smiles": "Nc1nc(O)c2ncn([C@H]3C[C@H](O[P@](=O)([O-])OC[C@H]4O[C@@H](n5c[nH+]c6c(O)[nH+]c(N)[nH+]c65)C[C@@H]4O)[C@@H](COP(=O)([O-])O)O3)c2[nH+]1",
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      {
        "id": "2_30",
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      {
        "id": "2_31",
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    "macro_pka_values": [
      {
        "pka_value": 0.65,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]