{
  "route": {
    "id": "cmisc0a5e00ze7qddq1lmmso1",
    "signature": "dcea7b5a8c3bffdd24b5e90c2fece6f40118da31caab0080416c2941765f2823",
    "contentHash": "26e2059f81c04f3b42c0a626b00145d0bcd9a642bf8054520cb6bb3adccc3cba",
    "length": 3,
    "isConvergent": false
  },
  "target": {
    "id": "cmisc0a5e00zd7qddehnu1y6w",
    "benchmarkSetId": "cmisc09u000007qddhq6eczgb",
    "targetId": "n5-07852",
    "moleculeId": "x5ggoeev9f8mzmv0xrvdl6s7",
    "routeLength": 3,
    "isConvergent": false,
    "metadata": "{}",
    "molecule": {
      "id": "x5ggoeev9f8mzmv0xrvdl6s7",
      "inchikey": "CJFKUQWMTAQSRS-UHFFFAOYSA-N",
      "smiles": "O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 1
  },
  "rootNode": {
    "id": "cmisc0a5f00zf7qdd90mbhkht",
    "routeId": "cmisc0a5e00ze7qddq1lmmso1",
    "moleculeId": "x5ggoeev9f8mzmv0xrvdl6s7",
    "parentId": null,
    "isLeaf": false,
    "reactionHash": null,
    "template": null,
    "metadata": "{\"ID\":\"US20150252031A1;0287;1749269\",\"rsmi\":\"Br[c:20]1[cH:19][c:18]([C:2](=[O:1])[NH:3][CH2:4][CH:5]([OH:6])[CH2:7][N:8]2[CH2:9][CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[CH2:17]2)[cH:29][cH:28][cH:27]1.[NH:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1>CC(C)(C)O.Cc1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>[O:1]=[C:2]([NH:3][CH2:4][CH:5]([OH:6])[CH2:7][N:8]1[CH2:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1)[c:18]1[cH:19][c:20]([N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[cH:27][cH:28][cH:29]1\"}",
    "molecule": {
      "id": "x5ggoeev9f8mzmv0xrvdl6s7",
      "inchikey": "CJFKUQWMTAQSRS-UHFFFAOYSA-N",
      "smiles": "O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1"
    },
    "children": [
      {
        "id": "cmisc0a5f00zg7qddrpq6ntcu",
        "routeId": "cmisc0a5e00ze7qddq1lmmso1",
        "moleculeId": "np4o8yh4scy7x9gcx1qgjoz6",
        "parentId": "cmisc0a5f00zf7qdd90mbhkht",
        "isLeaf": true,
        "reactionHash": null,
        "template": null,
        "metadata": null,
        "molecule": {
          "id": "np4o8yh4scy7x9gcx1qgjoz6",
          "inchikey": "YNAVUWVOSKDBBP-UHFFFAOYSA-N",
          "smiles": "C1COCCN1"
        },
        "children": []
      },
      {
        "id": "cmisc0a5f00zh7qddys30yuio",
        "routeId": "cmisc0a5e00ze7qddq1lmmso1",
        "moleculeId": "pw6go5f5kd4aapazewiq33t6",
        "parentId": "cmisc0a5f00zf7qdd90mbhkht",
        "isLeaf": false,
        "reactionHash": null,
        "template": null,
        "metadata": "{\"ID\":\"US20150252031A1;0285;1749268\",\"rsmi\":\"O[C:2](=[O:1])[c:18]1[cH:19][c:20]([Br:21])[cH:22][cH:23][cH:24]1.[NH2:3][CH2:4][CH:5]([OH:6])[CH2:7][N:8]1[CH2:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1>CCN(CC)CC.CCN=C=NCCCN(C)C.ClCCl.O.On1nnc2ccccc21>[O:1]=[C:2]([NH:3][CH2:4][CH:5]([OH:6])[CH2:7][N:8]1[CH2:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[CH2:17]1)[c:18]1[cH:19][c:20]([Br:21])[cH:22][cH:23][cH:24]1\"}",
        "molecule": {
          "id": "pw6go5f5kd4aapazewiq33t6",
          "inchikey": "LSOOKFPZQZUAIG-UHFFFAOYSA-N",
          "smiles": "O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(Br)c1"
        },
        "children": [
          {
            "id": "cmisc0a5f00zi7qdd5wfg1chv",
            "routeId": "cmisc0a5e00ze7qddq1lmmso1",
            "moleculeId": "jrx6ex5e04igi13pl4r6egcs",
            "parentId": "cmisc0a5f00zh7qddys30yuio",
            "isLeaf": false,
            "reactionHash": null,
            "template": null,
            "metadata": "{\"ID\":\"US20150252031A1;0386;1749308\",\"rsmi\":\"[CH2:2]1[CH:3]([CH2:5][N:6]2[CH2:7][CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[CH2:15]2)[O:4]1.[NH3:1]>CCO>[NH2:1][CH2:2][CH:3]([OH:4])[CH2:5][N:6]1[CH2:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[CH2:15]1\"}",
            "molecule": {
              "id": "jrx6ex5e04igi13pl4r6egcs",
              "inchikey": "BYWDGTKESWRSML-UHFFFAOYSA-N",
              "smiles": "NCC(O)CN1CCc2ccccc2C1"
            },
            "children": [
              {
                "id": "cmisc0a5g00zk7qddfuz5szw2",
                "routeId": "cmisc0a5e00ze7qddq1lmmso1",
                "moleculeId": "f8e2zb4tye7yqtxjpdjfu06c",
                "parentId": "cmisc0a5f00zi7qdd5wfg1chv",
                "isLeaf": true,
                "reactionHash": null,
                "template": null,
                "metadata": null,
                "molecule": {
                  "id": "f8e2zb4tye7yqtxjpdjfu06c",
                  "inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N",
                  "smiles": "N"
                },
                "children": []
              },
              {
                "id": "cmisc0a5g00zl7qddxjcb149g",
                "routeId": "cmisc0a5e00ze7qddq1lmmso1",
                "moleculeId": "zu4h7idhtn7ra42dn573zxdb",
                "parentId": "cmisc0a5f00zi7qdd5wfg1chv",
                "isLeaf": true,
                "reactionHash": null,
                "template": null,
                "metadata": null,
                "molecule": {
                  "id": "zu4h7idhtn7ra42dn573zxdb",
                  "inchikey": "OBDIDGKANKNXDV-UHFFFAOYSA-N",
                  "smiles": "c1ccc2c(c1)CCN(CC1CO1)C2"
                },
                "children": []
              }
            ]
          },
          {
            "id": "cmisc0a5f00zj7qdd3xeg29ao",
            "routeId": "cmisc0a5e00ze7qddq1lmmso1",
            "moleculeId": "x3opygvxjh5fxr3q0tptd9r3",
            "parentId": "cmisc0a5f00zh7qddys30yuio",
            "isLeaf": true,
            "reactionHash": null,
            "template": null,
            "metadata": null,
            "molecule": {
              "id": "x3opygvxjh5fxr3q0tptd9r3",
              "inchikey": "VOIZNVUXCQLQHS-UHFFFAOYSA-N",
              "smiles": "O=C(O)c1cccc(Br)c1"
            },
            "children": []
          }
        ]
      }
    ]
  }
}