{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# 12-20\u5143\u73af\u5927\u73af\u5185\u916f\u5206\u5b50\u5206\u6790 - \u4fee\u6b63\u7248\n",
    "\n",
    "\u672cnotebook\u7528\u4e8e\u5206\u6790 `data/ring12_20/temp.csv` \u4e2d\u768412-20\u5143\u73af\u5927\u73af\u5185\u916f\u5206\u5b50\uff1a\n",
    "1. \u6e05\u6d17\u548c\u8fc7\u6ee4\u6570\u636e\n",
    "2. \u8bc6\u522b\u73af\u7684\u5927\u5c0f\uff0812-20\u5143\u73af\uff09\n",
    "3. \u5904\u7406\u6865\u73af\u60c5\u51b5\n",
    "4. \u8fdb\u884c\u4fa7\u94fe\u65ad\u88c2\u5206\u6790\n",
    "5. \u7edf\u8ba1\u548c\u53ef\u89c6\u5316\u5206\u6790\u788e\u7247\u5206\u5e03\n",
    "6. \u4fdd\u5b58\u7ed3\u679c\u5230output\u76ee\u5f55\n",
    "\n",
    "**\u4fee\u590d\u5185\u5bb9\uff1a**\n",
    "- \u4fee\u6b63\u4e86\u6240\u6709\u6a21\u5757\u5bfc\u5165\u95ee\u9898\n",
    "- \u6dfb\u52a0\u4e86\u5b8c\u6574\u7684\u9519\u8bef\u5904\u7406\n",
    "- \u652f\u6301\u6240\u670912-20\u5143\u73af\u7684\u6279\u91cf\u5904\u7406\n",
    "- \u4f18\u5316\u4e86\u6865\u73af\u5206\u5b50\u5904\u7406\u903b\u8f91"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 1. \u5bfc\u5165\u5fc5\u8981\u7684\u5e93"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## \ud83c\udd95 \u65b0\u7248\u672c\uff1a\u4f7f\u7528 MacroLactoneAnalyzer\n",
    "\n",
    "\u672cnotebook\u73b0\u5728\u4f7f\u7528\u65b0\u5c01\u88c5\u7684 `MacroLactoneAnalyzer` \u7c7b\u8fdb\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b\u3002\u8be5\u7c7b\u63d0\u4f9b\u4e86\u4ee5\u4e0b\u529f\u80fd\uff1a\n",
    "\n",
    "### \u4e3b\u8981\u7279\u6027\n",
    "- \ud83d\udd0d **\u73af\u6570\u8bc6\u522b**: \u81ea\u52a8\u8bc6\u522b\u5206\u5b50\u4e2d\u6240\u670912-20\u5143\u73af\u7684\u5927\u5c0f\n",
    "- \u2705 **\u6709\u6548\u6027\u9a8c\u8bc1**: \u9a8c\u8bc1\u662f\u5426\u4e3a\u6709\u6548\u7684\u5927\u73af\u5185\u916f\uff08\u542b\u6709\u916f\u952e\uff09\n",
    "- \ud83d\udcca **\u6279\u91cf\u5206\u6790**: \u652f\u6301\u5355\u5206\u5b50\u548c\u6279\u91cf\u5206\u5b50\u5206\u6790\n",
    "- \ud83d\udd00 **\u6865\u73af\u5904\u7406**: \u652f\u6301\u6865\u73af\u5206\u5b50\u7684\u7279\u6b8a\u5904\u7406\n",
    "- \ud83c\udfaf **SMARTS\u5339\u914d**: \u652f\u6301\u52a8\u6001SMARTS\u6a21\u5f0f\u5339\u914d\n",
    "- \ud83d\udcc8 **\u7edf\u8ba1\u5206\u6790**: \u63d0\u4f9b\u8be6\u7ec6\u7684\u7edf\u8ba1\u4fe1\u606f\n",
    "\n",
    "### \u4f7f\u7528\u65b9\u6cd5\n",
    "\n",
    "```python\n",
    "from src.macro_lactone_analyzer import MacroLactoneAnalyzer\n",
    "\n",
    "analyzer = MacroLactoneAnalyzer()\n",
    "\n",
    "# \u5355\u5206\u5b50\u5206\u6790\n",
    "result = analyzer.get_single_ring_info(smiles)\n",
    "\n",
    "# \u6279\u91cf\u5206\u6790\n",
    "stats = analyzer.analyze_list(smiles_list)\n",
    "\n",
    "# DataFrame\u5206\u7c7b\n",
    "ring_dfs, bridge_df = analyzer.classify_molecules(df, 'smiles', 'ID')\n",
    "```\n",
    "\n",
    "### \u8be6\u7ec6\u6587\u6863\n",
    "\u67e5\u770b [API\u53c2\u8003\u6587\u6863](http://localhost:8000/api/macro-lactone-analyzer.html) \u83b7\u53d6\u5b8c\u6574\u7684\u4f7f\u7528\u8bf4\u660e\u3002\n",
    "\n",
    "---"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u2705 \u6240\u6709\u6a21\u5757\u5bfc\u5165\u6210\u529f!\n",
      "\u9879\u76ee\u6839\u76ee\u5f55: /home/zly/project/macro_split\n",
      "\u652f\u6301\u73af\u5927\u5c0f: [12, 13, 14, 15, 16, 17, 18, 19, 20]\n"
     ]
    }
   ],
   "source": [
    "import sys\n",
    "from pathlib import Path\n",
    "import warnings\n",
    "warnings.filterwarnings('ignore')\n",
    "\n",
    "# \u6dfb\u52a0\u9879\u76ee\u6839\u76ee\u5f55\u5230 Python \u8def\u5f84\n",
    "notebook_dir = Path().resolve()\n",
    "project_root = notebook_dir.parent\n",
    "sys.path.insert(0, str(project_root))\n",
    "\n",
    "# \u5bfc\u5165RDKit\u548c\u76f8\u5173\u5e93\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem import Descriptors, Crippen, QED, AllChem\n",
    "from rdkit.Chem import Draw\n",
    "from rdkit.Chem.Draw import rdMolDraw2D\n",
    "from IPython.display import SVG, display\n",
    "import pandas as pd\n",
    "import numpy as np\n",
    "from typing import List, Dict, Tuple, Optional, Set\n",
    "import json\n",
    "from collections import defaultdict\n",
    "\n",
    "# \u5bfc\u5165\u9879\u76ee\u6a21\u5757\n",
    "from src.macrolactone_fragmenter import MacrolactoneFragmenter\n",
    "from src.ring_visualization import get_macrolactone_numbering, get_ring_atoms_by_size\n",
    "from src.fragment_dataclass import Fragment, MoleculeFragments\n",
    "\n",
    "print(\"\u2705 \u6240\u6709\u6a21\u5757\u5bfc\u5165\u6210\u529f!\")\n",
    "print(f\"\u9879\u76ee\u6839\u76ee\u5f55: {project_root}\")\n",
    "print(f\"\u652f\u6301\u73af\u5927\u5c0f: {sorted(MacrolactoneFragmenter.DEFAULT_SMARTS.keys())}\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 2. \u5b9a\u4e49\u73af\u6570\u8bc6\u522b\u51fd\u6570"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u2705 \u73af\u6570\u5206\u7c7b\u51fd\u6570\u5b9a\u4e49\u5b8c\u6210\uff01\n",
      "\u4f7f\u7528 classify_molecules_by_ring_size(df) \u8fdb\u884c\u5206\u7c7b\n"
     ]
    }
   ],
   "source": [
    "# \u4f7f\u7528\u65b0\u5c01\u88c5\u7684 MacroLactoneAnalyzer \u8fdb\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b\n",
    "print(\"\u2705 \u73af\u6570\u5206\u7c7b\u51fd\u6570\u5df2\u5c01\u88c5\u5230 src/macro_lactone_analyzer.py\")\n",
    "print(\"\u4f7f\u7528 MacroLactoneAnalyzer().classify_molecules(df) \u8fdb\u884c\u5206\u7c7b\")\n",
    "\n",
    "# \u521b\u5efa\u5206\u6790\u5668\u5b9e\u4f8b\n",
    "analyzer = MacroLactoneAnalyzer()\n",
    "\n",
    "# \u5355\u5206\u5b50\u5206\u6790\u793a\u4f8b\n",
    "test_smiles = \"O=C1CCCCCCCC(=O)OCC/C=C/C=C/1\"\n",
    "result = analyzer.get_single_ring_info(test_smiles)\n",
    "print(f\"\\n\u6d4b\u8bd5\u5206\u5b50: {test_smiles[:30]}...\")\n",
    "if result:\n",
    "    print(f\"  \u2713 \u53d1\u73b0\u5927\u73af\u5185\u916f\uff0c\u73af\u5927\u5c0f: {result['valid_sizes']}\")\n",
    "    print(f\"  \u662f\u5426\u6865\u73af: {result['is_bridge']}\")\n",
    "else:\n",
    "    print(f\"  \u2717 \u672a\u53d1\u73b0\u5927\u73af\u5185\u916f\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 3. \u8bfb\u53d6\u548c\u6e05\u6d17\u6570\u636e"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u8bfb\u53d6\u6570\u636e\u96c6: 11036 \u4e2a\u5206\u5b50\n",
      "\u5217\u540d: ['IDs', 'molecule_pref_name', 'max_pChEMBL', 'max_pChEMBL_target', '# Target Organisms', 'Target Organisms', '# Known Targets', 'Known Targets', 'target_pref_name', 'smiles']\n",
      "\n",
      "\u524d5\u884c:\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>IDs</th>\n",
       "      <th>molecule_pref_name</th>\n",
       "      <th>max_pChEMBL</th>\n",
       "      <th>max_pChEMBL_target</th>\n",
       "      <th># Target Organisms</th>\n",
       "      <th>Target Organisms</th>\n",
       "      <th># Known Targets</th>\n",
       "      <th>Known Targets</th>\n",
       "      <th>target_pref_name</th>\n",
       "      <th>smiles</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>CHEMBL94657</td>\n",
       "      <td>PATUPILONE</td>\n",
       "      <td>10.67</td>\n",
       "      <td>CHEMBL1075590</td>\n",
       "      <td>695</td>\n",
       "      <td>Sus scrofa, Mus musculus, None, Plasmodium fal...</td>\n",
       "      <td>695</td>\n",
       "      <td>CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...</td>\n",
       "      <td>AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...</td>\n",
       "      <td>C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CHEMBL94657</td>\n",
       "      <td>PATUPILONE</td>\n",
       "      <td>10.67</td>\n",
       "      <td>CHEMBL1075590</td>\n",
       "      <td>695</td>\n",
       "      <td>Sus scrofa, Mus musculus, None, Plasmodium fal...</td>\n",
       "      <td>695</td>\n",
       "      <td>CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...</td>\n",
       "      <td>AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...</td>\n",
       "      <td>C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>CHEMBL449158</td>\n",
       "      <td>BRYOSTATIN</td>\n",
       "      <td>9.36</td>\n",
       "      <td>CHEMBL2996</td>\n",
       "      <td>664</td>\n",
       "      <td>Homo sapiens, None, Rattus norvegicus</td>\n",
       "      <td>664</td>\n",
       "      <td>CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...</td>\n",
       "      <td>AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...</td>\n",
       "      <td>CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>CHEMBL1554</td>\n",
       "      <td>DACTINOMYCIN</td>\n",
       "      <td>10.10</td>\n",
       "      <td>CHEMBL614533</td>\n",
       "      <td>177</td>\n",
       "      <td>Giardia intestinalis, Trypanosoma cruzi, Equus...</td>\n",
       "      <td>177</td>\n",
       "      <td>CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL551...</td>\n",
       "      <td>HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7...</td>\n",
       "      <td>Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>CHEMBL529</td>\n",
       "      <td>AZITHROMYCIN</td>\n",
       "      <td>8.59</td>\n",
       "      <td>CHEMBL3301413</td>\n",
       "      <td>70</td>\n",
       "      <td>None, Plasmodium falciparum, Escherichia coli,...</td>\n",
       "      <td>70</td>\n",
       "      <td>CHEMBL347, CHEMBL612313, CHEMBL354, CHEMBL3301...</td>\n",
       "      <td>Streptococcus, Unchecked, Cytochrome P450 3A4,...</td>\n",
       "      <td>CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(...</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "            IDs molecule_pref_name  max_pChEMBL max_pChEMBL_target  \\\n",
       "0   CHEMBL94657         PATUPILONE        10.67      CHEMBL1075590   \n",
       "1   CHEMBL94657         PATUPILONE        10.67      CHEMBL1075590   \n",
       "2  CHEMBL449158         BRYOSTATIN         9.36         CHEMBL2996   \n",
       "3    CHEMBL1554       DACTINOMYCIN        10.10       CHEMBL614533   \n",
       "4     CHEMBL529       AZITHROMYCIN         8.59      CHEMBL3301413   \n",
       "\n",
       "   # Target Organisms                                   Target Organisms  \\\n",
       "0                 695  Sus scrofa, Mus musculus, None, Plasmodium fal...   \n",
       "1                 695  Sus scrofa, Mus musculus, None, Plasmodium fal...   \n",
       "2                 664              Homo sapiens, None, Rattus norvegicus   \n",
       "3                 177  Giardia intestinalis, Trypanosoma cruzi, Equus...   \n",
       "4                  70  None, Plasmodium falciparum, Escherichia coli,...   \n",
       "\n",
       "   # Known Targets                                      Known Targets  \\\n",
       "0              695  CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...   \n",
       "1              695  CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...   \n",
       "2              664  CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHE...   \n",
       "3              177  CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL551...   \n",
       "4               70  CHEMBL347, CHEMBL612313, CHEMBL354, CHEMBL3301...   \n",
       "\n",
       "                                    target_pref_name  \\\n",
       "0  AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...   \n",
       "1  AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...   \n",
       "2  AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-6...   \n",
       "3  HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7...   \n",
       "4  Streptococcus, Unchecked, Cytochrome P450 3A4,...   \n",
       "\n",
       "                                              smiles  \n",
       "0  C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[...  \n",
       "1  C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[...  \n",
       "2  CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C...  \n",
       "3  Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C...  \n",
       "4  CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(...  "
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# \u8bfb\u53d6\u6570\u636e\n",
    "csv_file = project_root / 'data' / 'ring12_20' / 'temp.csv'\n",
    "df = pd.read_csv(csv_file)\n",
    "\n",
    "print(f\"\u8bfb\u53d6\u6570\u636e\u96c6: {len(df)} \u4e2a\u5206\u5b50\")\n",
    "print(f\"\u5217\u540d: {df.columns.tolist()}\")\n",
    "print(f\"\\n\u524d5\u884c:\")\n",
    "df.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 4. \u6267\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u5f00\u59cb\u5bf9 11036 \u4e2a\u5206\u5b50\u8fdb\u884c\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b...\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u5df2\u5904\u7406 100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 1900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 2900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 3900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 4900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 5900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 6900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 7900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 8900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 9900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10000/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10100/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10200/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10300/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10400/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10500/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10600/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10700/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10800/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 10900/11036 \u4e2a\u5206\u5b50...\n",
      "\u5df2\u5904\u7406 11000/11036 \u4e2a\u5206\u5b50...\n",
      "\n",
      "============================================================\n",
      "\u73af\u6570\u8bc6\u522b\u548c\u5206\u7c7b\u7ed3\u679c:\n",
      "============================================================\n",
      "\u603b\u5904\u7406\u5206\u5b50\u6570: 11036\n",
      "\u65e0\u6709\u6548\u73af\u5206\u5b50: 11\n",
      "\u6865\u73af\u5206\u5b50\uff08\u591a\u4e2a\u73af\u6570\uff09: 114\n",
      "\n",
      "\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6570:\n",
      "  12\u5143\u73af: 1423 \u4e2a\u5206\u5b50\n",
      "  13\u5143\u73af: 679 \u4e2a\u5206\u5b50\n",
      "  14\u5143\u73af: 3050 \u4e2a\u5206\u5b50\n",
      "  15\u5143\u73af: 1603 \u4e2a\u5206\u5b50\n",
      "  16\u5143\u73af: 2049 \u4e2a\u5206\u5b50\n",
      "  17\u5143\u73af: 199 \u4e2a\u5206\u5b50\n",
      "  18\u5143\u73af: 810 \u4e2a\u5206\u5b50\n",
      "  19\u5143\u73af: 855 \u4e2a\u5206\u5b50\n",
      "  20\u5143\u73af: 243 \u4e2a\u5206\u5b50\n",
      "============================================================\n",
      "\n",
      "\u2705 \u5206\u7c7b\u5b8c\u6210\n",
      "  \u6709\u6548\u5927\u73af\u5185\u916f: 10911 \u4e2a\n",
      "  \u6865\u73af\u5206\u5b50: 114 \u4e2a\n",
      "\n",
      "\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6570\u5206\u5e03:\n",
      "  12\u5143\u73af: 1423 \u4e2a\u5206\u5b50\n",
      "  13\u5143\u73af: 679 \u4e2a\u5206\u5b50\n",
      "  14\u5143\u73af: 3050 \u4e2a\u5206\u5b50\n",
      "  15\u5143\u73af: 1603 \u4e2a\u5206\u5b50\n",
      "  16\u5143\u73af: 2049 \u4e2a\u5206\u5b50\n",
      "  17\u5143\u73af: 199 \u4e2a\u5206\u5b50\n",
      "  18\u5143\u73af: 810 \u4e2a\u5206\u5b50\n",
      "  19\u5143\u73af: 855 \u4e2a\u5206\u5b50\n",
      "  20\u5143\u73af: 243 \u4e2a\u5206\u5b50\n"
     ]
    }
   ],
   "source": [
    "# \u4f7f\u7528\u65b0\u5c01\u88c5\u7684 MacroLactoneAnalyzer \u8fdb\u884c\u6570\u636e\u6e05\u6d17\u548c\u5206\u7c7b\n",
    "ring_size_dfs, ambiguous_df = analyzer.classify_molecules(\n",
    "    df,\n",
    "    smiles_column='smiles',\n",
    "    id_column='IDs'\n",
    ")\n",
    "\n",
    "# \u63d0\u53d6\u6709\u6548\u5206\u5b50\uff08\u5355\u73af\uff09\n",
    "df_valid = pd.DataFrame()\n",
    "for size, df_size in ring_size_dfs.items():\n",
    "    if not df_size.empty:\n",
    "        df_valid = pd.concat([df_valid, df_size], ignore_index=True)\n",
    "\n",
    "# \u6865\u73af\u5206\u5b50\n",
    "df_bridge = ambiguous_df\n",
    "\n",
    "print(f\"\\n\u2705 \u5206\u7c7b\u5b8c\u6210\")\n",
    "print(f\"  \u6709\u6548\u5927\u73af\u5185\u916f: {len(df_valid)} \u4e2a\")\n",
    "print(f\"  \u6865\u73af\u5206\u5b50: {len(df_bridge)} \u4e2a\")\n",
    "\n",
    "# \u663e\u793a\u5404\u73af\u5927\u5c0f\u7edf\u8ba1\n",
    "if len(df_valid) > 0:\n",
    "    print(f\"\\n\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6570\u5206\u5e03:\")\n",
    "    ring_counts = df_valid['ring_size'].value_counts().sort_index()\n",
    "    for ring_size, count in ring_counts.items():\n",
    "        print(f\"  {ring_size}\u5143\u73af: {count} \u4e2a\u5206\u5b50\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 5. \u6279\u91cf\u5904\u7406\u4fa7\u94fe\u65ad\u88c2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "================================================================================\n",
      "\u7b2c5\u6b65\uff1a\u6279\u91cf\u5904\u7406\u4fa7\u94fe\u65ad\u88c2\n",
      "================================================================================\n",
      "MacrolactoneFragmenter \u652f\u6301\u7684\u73af\u5927\u5c0f: [12, 13, 14, 15, 16, 17, 18, 19, 20]\n",
      "\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 12 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 1423 \u4e2a 12 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 12 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 1423 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:43] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:44] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:44] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:44] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:44] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:44] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 5 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 7 marked aromatic\n",
      "[21:07:45] non-ring atom 9 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 7 marked aromatic\n",
      "[21:07:45] non-ring atom 9 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 8 marked aromatic\n",
      "[21:07:45] non-ring atom 10 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 7 marked aromatic\n",
      "[21:07:45] non-ring atom 9 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 7 marked aromatic\n",
      "[21:07:45] non-ring atom 7 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:45] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 3 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 3 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 3 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 3 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 3 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 1 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 1 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 1 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:46] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 3 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 7 marked aromatic\n",
      "[21:07:47] non-ring atom 9 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:47] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n",
      "[21:07:48] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 1423 \u5206\u5b50, 7580 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 13 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 679 \u4e2a 13 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 13 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 679 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 2 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 4 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:07:52] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:07:52] non-ring atom 12 marked aromatic\n",
      "[21:07:52] non-ring atom 12 marked aromatic\n",
      "[21:07:52] non-ring atom 8 marked aromatic\n",
      "[21:07:52] non-ring atom 10 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 12 marked aromatic\n",
      "[21:07:52] non-ring atom 12 marked aromatic\n",
      "[21:07:52] non-ring atom 8 marked aromatic\n",
      "[21:07:52] non-ring atom 10 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:52] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
      "[21:07:53] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
      "[21:07:53] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 4 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] non-ring atom 0 marked aromatic\n",
      "[21:07:53] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
      "[21:07:53] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4 5 6 7 8\n",
      "[21:07:54] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:54] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:54] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:54] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:07:54] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 679 \u5206\u5b50, 4132 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 14 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 3050 \u4e2a 14 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 14 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 3050 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] non-ring atom 0 marked aromatic\n",
      "[21:08:09] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6\n",
      "[21:08:09] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10 11 12 13 14\n",
      "[21:08:10] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 4 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 4 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 3 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] Can't kekulize mol.  Unkekulized atoms: 3 4 5 6 7 8 9 10 11\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] Can't kekulize mol.  Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
      "[21:08:10] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:10] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 13 14 15 16 17\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 13 14 15 16 17\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:11] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:11] non-ring atom 0 marked aromatic\n",
      "[21:08:12] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:12] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:12] non-ring atom 0 marked aromatic\n",
      "[21:08:13] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:13] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:14] non-ring atom 0 marked aromatic\n",
      "[21:08:15] non-ring atom 0 marked aromatic\n",
      "[21:08:15] non-ring atom 0 marked aromatic\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10 11 12 13 14\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10 11 12 13 14\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:15] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 17 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:16] non-ring atom 0 marked aromatic\n",
      "[21:08:17] Can't kekulize mol.  Unkekulized atoms: 4 5 6 7 8\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:17] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 9 10 11 12 13 14 15 16 17\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 17 19 20 21 22 23 24 25 26\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] Can't kekulize mol.  Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:18] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] Can't kekulize mol.  Unkekulized atoms: 18 19 20 21 22 23 24 25 26\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:19] Can't kekulize mol.  Unkekulized atoms: 0 1 2 4 5 6 7 8 9\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 7 marked aromatic\n",
      "[21:08:19] non-ring atom 4 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 7 marked aromatic\n",
      "[21:08:19] non-ring atom 4 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 7 marked aromatic\n",
      "[21:08:19] non-ring atom 4 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 1 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:19] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:20] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:21] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:21] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n",
      "[21:08:22] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 3050 \u5206\u5b50, 29571 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 15 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 1603 \u4e2a 15 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 15 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 1603 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:32] Can't kekulize mol.  Unkekulized atoms: 1 3 4 5 6\n",
      "[21:08:32] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6\n",
      "[21:08:32] Can't kekulize mol.  Unkekulized atoms: 1 3 4 5 6\n",
      "[21:08:32] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6\n",
      "[21:08:32] Can't kekulize mol.  Unkekulized atoms: 1 3 4 5 6\n",
      "[21:08:32] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 1 3 4 5 6\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 11 12 13 14 15 16 17 18 19\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 11 12 13 14 15 16 17 18 19\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 11 12 13 14 15 16 17 18 19\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 14 15 16 17 18 19 20 21 22\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 14 15 16 17 18 19 20 21 22\n",
      "[21:08:33] Can't kekulize mol.  Unkekulized atoms: 14 15 16 17 18 19 20 21 22\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:33] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 14\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 14\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 5 6 7 8 9 10 11 12 13\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 6 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 8 9 10 11 12 13 14 15 16\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
      "[21:08:34] Can't kekulize mol.  Unkekulized atoms: 10 11 12 13 14 15 16 17 18\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:34] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] Can't kekulize mol.  Unkekulized atoms: 10 11 12 13 14\n",
      "[21:08:35] Can't kekulize mol.  Unkekulized atoms: 10 11 12 13 14\n",
      "[21:08:35] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:35] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:36] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] Can't kekulize mol.  Unkekulized atoms: 4 5 6 7 8 9 10 11 12\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:37] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:38] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 7 marked aromatic\n",
      "[21:08:39] non-ring atom 4 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 7 marked aromatic\n",
      "[21:08:39] non-ring atom 4 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 7 marked aromatic\n",
      "[21:08:39] non-ring atom 4 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 7 marked aromatic\n",
      "[21:08:39] non-ring atom 4 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 15 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 15 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 14 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 14 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] Can't kekulize mol.  Unkekulized atoms: 2 3 4 5 6 7 8 9 10\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:39] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 18 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 18 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 18 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 18 marked aromatic\n",
      "[21:08:40] non-ring atom 5 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 5 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 7 marked aromatic\n",
      "[21:08:40] non-ring atom 4 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n",
      "[21:08:40] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 1603 \u5206\u5b50, 17561 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 16 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 2049 \u4e2a 16 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 16 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 2049 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:48] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 4 7 8 9 10\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 4 7 8 9 10\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 4 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 4 7 8 9 10\n",
      "[21:08:49] Can't kekulize mol.  Unkekulized atoms: 4 7 8 9 10\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n",
      "[21:08:49] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "    \u8b66\u544a\uff1a\u5206\u5b50 CHEMBL1908336 \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 41 42 45\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 41 42 46\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 41 42 46\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 6 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 8 9 11\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:50] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 6 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 6 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n",
      "[21:08:50] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "    \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n",
      "    \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:51] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:08:51] Can't kekulize mol.  Unkekulized atoms: 12 15 16 18 19\n",
      "[21:08:51] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:08:51] Can't kekulize mol.  Unkekulized atoms: 12 15 16 18 19\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 40 41 44\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 47 53 54 57 58\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 17 21 22 28 29\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 17 21 22 28 29\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 33 36 37 42 43\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 41 42 46\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 11 14 15 17 18\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 11 14 15 17 18\n",
      "[21:08:52] Can't kekulize mol.  Unkekulized atoms: 11 14 15 17 18\n",
      "[21:08:53] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "    \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n",
      "    \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:53] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "    \u8b66\u544a\uff1a\u5206\u5b50 nan \u65ad\u88c2\u5931\u8d25: Failed to number the ring. This molecule may not be a valid 16-membered macrolactone. Expected to find a 16-membered ring with an ester bond.\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:54] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 7 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 7 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n",
      "[21:08:55] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 2043 \u5206\u5b50, 16309 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 17 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 199 \u4e2a 17 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 17 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 199 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 36 40 41 48 49\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 5 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 6 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 3 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 7 marked aromatic\n",
      "[21:08:56] non-ring atom 3 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 7 marked aromatic\n",
      "[21:08:56] non-ring atom 3 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 0 marked aromatic\n",
      "[21:08:56] non-ring atom 7 marked aromatic\n",
      "[21:08:56] non-ring atom 3 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 199 \u5206\u5b50, 1279 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 18 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 810 \u4e2a 18 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 18 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 810 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 1 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4 5 6 7 8\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:59] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:59] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:59] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:59] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:08:59] non-ring atom 0 marked aromatic\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 5 marked aromatic\n",
      "[21:09:00] non-ring atom 4 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] non-ring atom 0 marked aromatic\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:00] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 5 marked aromatic\n",
      "[21:09:01] non-ring atom 4 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:01] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:01] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 2 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:01] non-ring atom 0 marked aromatic\n",
      "[21:09:02] non-ring atom 0 marked aromatic\n",
      "[21:09:02] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 810 \u5206\u5b50, 7306 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 19 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 855 \u4e2a 19 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 19 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 855 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] Can't kekulize mol.  Unkekulized atoms: 3 5 6 7 8 9 10 11 12 13 14 15 16\n",
      "[21:09:04] Can't kekulize mol.  Unkekulized atoms: 2 4 5 7 8 9 10 11 12 13 14 15 16\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 2 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 1 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:04] non-ring atom 0 marked aromatic\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 41 42 45\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 40 41 44\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:05] non-ring atom 1 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 1 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] non-ring atom 0 marked aromatic\n",
      "[21:09:05] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 24 28 29 34 35 36 41 42 45\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 22 27 28 30 31 32 35 36 42\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:06] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 2 3 4 6 7 8 9 10 11\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 0 1 4 5 7 8 9 10 11\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 5 6 7 8 9 10\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3 4 5 6 7 8 9\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n",
      "[21:09:07] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 855 \u5206\u5b50, 10041 \u4e2a\u788e\u7247\n",
      "\n",
      "============================================================\n",
      "\u5904\u7406 20 \u5143\u73af\u5927\u73af\u5185\u916f\n",
      "============================================================\n",
      "  \u627e\u5230 243 \u4e2a 20 \u5143\u73af\u5206\u5b50\n",
      "  \u2713 \u6210\u529f\u521b\u5efa 20 \u5143\u73af\u65ad\u88c2\u5668\n",
      "  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\n",
      "  \u2713 \u5b8c\u6210 243 \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\n",
      "  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] Can't kekulize mol.  Unkekulized atoms: 12 13 14 15 16 17 18 19 20\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 1 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n",
      "[21:09:08] non-ring atom 0 marked aromatic\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "  \u2713 \u5904\u7406\u5b8c\u6210: 243 \u5206\u5b50, 2282 \u4e2a\u788e\u7247\n",
      "\n",
      "================================================================================\n",
      "\u6279\u91cf\u5904\u7406\u5b8c\u6210\u7edf\u8ba1:\n",
      "  12\u5143\u73af: 1423 \u5206\u5b50, 7580 \u4e2a\u788e\u7247\n",
      "  13\u5143\u73af: 679 \u5206\u5b50, 4132 \u4e2a\u788e\u7247\n",
      "  14\u5143\u73af: 3050 \u5206\u5b50, 29571 \u4e2a\u788e\u7247\n",
      "  15\u5143\u73af: 1603 \u5206\u5b50, 17561 \u4e2a\u788e\u7247\n",
      "  16\u5143\u73af: 2043 \u5206\u5b50, 16309 \u4e2a\u788e\u7247\n",
      "  17\u5143\u73af: 199 \u5206\u5b50, 1279 \u4e2a\u788e\u7247\n",
      "  18\u5143\u73af: 810 \u5206\u5b50, 7306 \u4e2a\u788e\u7247\n",
      "  19\u5143\u73af: 855 \u5206\u5b50, 10041 \u4e2a\u788e\u7247\n",
      "  20\u5143\u73af: 243 \u5206\u5b50, 2282 \u4e2a\u788e\u7247\n",
      "================================================================================\n",
      "\n",
      "\u26a0\ufe0f \u8b66\u544a: 6 \u4e2a\u5206\u5b50\u5904\u7406\u5931\u8d25\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 1 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 1 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 1 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 2 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 3 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 3 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n",
      "[21:09:09] non-ring atom 0 marked aromatic\n"
     ]
    }
   ],
   "source": [
    "print(\"\\n\" + \"=\"*80)\n",
    "print(\"\u7b2c5\u6b65\uff1a\u6279\u91cf\u5904\u7406\u4fa7\u94fe\u65ad\u88c2\")\n",
    "print(\"=\"*80)\n",
    "\n",
    "# \u9a8c\u8bc1 MacrolactoneFragmenter \u652f\u6301\u7684\u73af\u5927\u5c0f\n",
    "print(f\"MacrolactoneFragmenter \u652f\u6301\u7684\u73af\u5927\u5c0f: {sorted(MacrolactoneFragmenter.DEFAULT_SMARTS.keys())}\")\n",
    "print()\n",
    "\n",
    "all_fragments_results = {}\n",
    "all_molecular_properties = {}\n",
    "failed_molecules = []\n",
    "\n",
    "# \u5904\u7406\u7b56\u7565\uff1a\u4e3a\u6bcf\u4e2a\u73af\u5927\u5c0f\u5355\u72ec\u5904\u7406\n",
    "for ring_size in range(12, 21):  # 12-20\u5143\u73af\n",
    "    print(f\"\\n{'='*60}\")\n",
    "    print(f\"\u5904\u7406 {ring_size} \u5143\u73af\u5927\u73af\u5185\u916f\")\n",
    "    print('='*60)\n",
    "    \n",
    "    # \u83b7\u53d6\u8be5\u73af\u5927\u5c0f\u7684\u5206\u5b50\n",
    "    ring_molecules = df_valid[df_valid['ring_size'] == ring_size]\n",
    "    \n",
    "    if len(ring_molecules) == 0:\n",
    "        print(f\"  \u6ca1\u6709\u627e\u5230 {ring_size} \u5143\u73af\u5206\u5b50\uff0c\u8df3\u8fc7\")\n",
    "        continue\n",
    "    \n",
    "    print(f\"  \u627e\u5230 {len(ring_molecules)} \u4e2a {ring_size} \u5143\u73af\u5206\u5b50\")\n",
    "    \n",
    "    # \u521b\u5efa\u65ad\u88c2\u5668\n",
    "    try:\n",
    "        fragmenter = MacrolactoneFragmenter(ring_size=ring_size)\n",
    "        print(f\"  \u2713 \u6210\u529f\u521b\u5efa {ring_size} \u5143\u73af\u65ad\u88c2\u5668\")\n",
    "    except ValueError as e:\n",
    "        print(f\"  \u2717 \u521b\u5efa\u65ad\u88c2\u5668\u5931\u8d25: {e}\")\n",
    "        # \u5c1d\u8bd5\u4f7f\u7528\u901a\u7528SMARTS\n",
    "        try:\n",
    "            fragmenter = MacrolactoneFragmenter(\n",
    "                ring_size=ring_size,\n",
    "                custom_smarts=\"[C](=O)[O]\"\n",
    "            )\n",
    "            print(f\"  \u2713 \u4f7f\u7528\u901a\u7528SMARTS\u6210\u529f\u521b\u5efa\u65ad\u88c2\u5668\")\n",
    "        except Exception as e2:\n",
    "            print(f\"  \u2717 \u4f7f\u7528\u901a\u7528SMARTS\u4e5f\u5931\u8d25: {e2}\")\n",
    "            continue\n",
    "    \n",
    "    # \u8ba1\u7b97\u5206\u5b50\u6027\u8d28\n",
    "    print(f\"  \u8ba1\u7b97\u5206\u5b50\u6027\u8d28...\")\n",
    "    properties_list = []\n",
    "    for idx, row in ring_molecules.iterrows():\n",
    "        try:\n",
    "            mol = Chem.MolFromSmiles(row['smiles'])\n",
    "            if mol:\n",
    "                props = {\n",
    "                    'unique_id': row['IDs'],\n",
    "                    'mol_weight': Descriptors.MolWt(mol),\n",
    "                    'logP': Crippen.MolLogP(mol),\n",
    "                    'qed': QED.qed(mol),\n",
    "                    'tpsa': Descriptors.TPSA(mol),\n",
    "                    'num_atoms': mol.GetNumAtoms(),\n",
    "                    'ring_size': ring_size\n",
    "                }\n",
    "                properties_list.append(props)\n",
    "        except Exception as e:\n",
    "            print(f\"    \u8b66\u544a\uff1a\u5206\u5b50 {row['IDs']} \u6027\u8d28\u8ba1\u7b97\u5931\u8d25: {e}\")\n",
    "    \n",
    "    if properties_list:\n",
    "        all_molecular_properties[ring_size] = pd.DataFrame(properties_list)\n",
    "        print(f\"  \u2713 \u5b8c\u6210 {len(properties_list)} \u4e2a\u5206\u5b50\u7684\u6027\u8d28\u8ba1\u7b97\")\n",
    "    \n",
    "    # \u6279\u91cf\u5904\u7406\u65ad\u88c2\n",
    "    print(f\"  \u5f00\u59cb\u6279\u91cf\u65ad\u88c2\u5904\u7406...\")\n",
    "    try:\n",
    "        ring_molecules_list = ring_molecules.to_dict('records')\n",
    "        \n",
    "        filtered_results = []\n",
    "        for mol_data in ring_molecules_list:\n",
    "            try:\n",
    "                result = fragmenter.process_molecule(\n",
    "                    mol_data['smiles'],\n",
    "                    parent_id=mol_data['IDs']\n",
    "                )\n",
    "                filtered_results.append(result)\n",
    "            except Exception as e:\n",
    "                failed_molecules.append((mol_data['IDs'], ring_size, str(e)))\n",
    "                print(f\"    \u8b66\u544a\uff1a\u5206\u5b50 {mol_data['IDs']} \u65ad\u88c2\u5931\u8d25: {e}\")\n",
    "        \n",
    "        all_fragments_results[ring_size] = filtered_results\n",
    "        \n",
    "        total_fragments = sum(len(r.fragments) for r in filtered_results)\n",
    "        print(f\"  \u2713 \u5904\u7406\u5b8c\u6210: {len(filtered_results)} \u5206\u5b50, {total_fragments} \u4e2a\u788e\u7247\")\n",
    "        \n",
    "    except Exception as e:\n",
    "        print(f\"  \u2717 \u6279\u91cf\u5904\u7406\u5931\u8d25: {e}\")\n",
    "        print(f\"  \u8df3\u8fc7 {ring_size} \u5143\u73af...\")\n",
    "        continue\n",
    "\n",
    "print(f\"\\n{'='*80}\")\n",
    "print(\"\u6279\u91cf\u5904\u7406\u5b8c\u6210\u7edf\u8ba1:\")\n",
    "for ring_size, results in all_fragments_results.items():\n",
    "    total_fragments = sum(len(r.fragments) for r in results)\n",
    "    print(f\"  {ring_size}\u5143\u73af: {len(results)} \u5206\u5b50, {total_fragments} \u4e2a\u788e\u7247\")\n",
    "print('='*80)\n",
    "\n",
    "if failed_molecules:\n",
    "    print(f\"\\n\u26a0\ufe0f \u8b66\u544a: {len(failed_molecules)} \u4e2a\u5206\u5b50\u5904\u7406\u5931\u8d25\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 6. \u4fdd\u5b58\u7ed3\u679c"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u4fdd\u5b58 12 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 13 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 14 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 15 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 16 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 17 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 18 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 19 \u5143\u73af\u7ed3\u679c...\n",
      "\u4fdd\u5b58 20 \u5143\u73af\u7ed3\u679c...\n",
      "\u6865\u73af\u5206\u5b50\u5df2\u4fdd\u5b58: /home/zly/project/macro_split/output/ring12_20_analysis/bridge_ring_molecules.csv\n",
      "\n",
      "\u2705 \u6240\u6709\u7ed3\u679c\u5df2\u4fdd\u5b58\u5230: /home/zly/project/macro_split/output/ring12_20_analysis\n",
      "\u751f\u6210\u7684\u6587\u4ef6:\n",
      "  - bridge_ring_molecules.csv\n",
      "  - ring12_fragments_analysis.csv\n",
      "  - ring12_molecular_properties.csv\n",
      "  - ring13_fragments_analysis.csv\n",
      "  - ring13_molecular_properties.csv\n",
      "  - ring14_fragments_analysis.csv\n",
      "  - ring14_molecular_properties.csv\n",
      "  - ring15_fragments_analysis.csv\n",
      "  - ring15_molecular_properties.csv\n",
      "  - ring16_fragments_analysis.csv\n",
      "  - ring16_molecular_properties.csv\n",
      "  - ring17_fragments_analysis.csv\n",
      "  - ring17_molecular_properties.csv\n",
      "  - ring18_fragments_analysis.csv\n",
      "  - ring18_molecular_properties.csv\n",
      "  - ring19_fragments_analysis.csv\n",
      "  - ring19_molecular_properties.csv\n",
      "  - ring20_fragments_analysis.csv\n",
      "  - ring20_molecular_properties.csv\n",
      "  - json_results/ \u76ee\u5f55 (2109 \u4e2aJSON\u6587\u4ef6)\n"
     ]
    }
   ],
   "source": [
    "# \u521b\u5efa\u8f93\u51fa\u76ee\u5f55\n",
    "output_dir = project_root / 'output' / 'ring12_20_analysis'\n",
    "output_dir.mkdir(parents=True, exist_ok=True)\n",
    "\n",
    "# \u4fdd\u5b58\u6bcf\u4e2a\u73af\u5927\u5c0f\u7684\u7ed3\u679c\n",
    "for ring_size in range(12, 21):\n",
    "    if ring_size not in all_fragments_results:\n",
    "        continue\n",
    "    \n",
    "    print(f\"\u4fdd\u5b58 {ring_size} \u5143\u73af\u7ed3\u679c...\")\n",
    "    \n",
    "    # CSV\u7ed3\u679c\n",
    "    results = all_fragments_results[ring_size]\n",
    "    if results:\n",
    "        df_fragments = MacrolactoneFragmenter(ring_size=ring_size).batch_to_dataframe(results)\n",
    "        csv_file = output_dir / f'ring{ring_size}_fragments_analysis.csv'\n",
    "        df_fragments.to_csv(csv_file, index=False)\n",
    "        \n",
    "        # JSON\u7ed3\u679c\n",
    "        json_dir = output_dir / 'json_results'\n",
    "        json_dir.mkdir(exist_ok=True)\n",
    "        \n",
    "        for result in results:\n",
    "            json_file = json_dir / f'{result.parent_id}.json'\n",
    "            result.to_json_file(str(json_file))\n",
    "    \n",
    "    # \u5206\u5b50\u6027\u8d28\n",
    "    if ring_size in all_molecular_properties:\n",
    "        props_file = output_dir / f'ring{ring_size}_molecular_properties.csv'\n",
    "        all_molecular_properties[ring_size].to_csv(props_file, index=False)\n",
    "\n",
    "# \u4fdd\u5b58\u6865\u73af\u5206\u5b50\n",
    "if len(df_bridge) > 0:\n",
    "    bridge_file = output_dir / 'bridge_ring_molecules.csv'\n",
    "    df_bridge.to_csv(bridge_file, index=False)\n",
    "    print(f\"\u6865\u73af\u5206\u5b50\u5df2\u4fdd\u5b58: {bridge_file}\")\n",
    "\n",
    "print(f\"\\n\u2705 \u6240\u6709\u7ed3\u679c\u5df2\u4fdd\u5b58\u5230: {output_dir}\")\n",
    "print(\"\u751f\u6210\u7684\u6587\u4ef6:\")\n",
    "for file in sorted(output_dir.glob('*.csv')):\n",
    "    print(f\"  - {file.name}\")\n",
    "if (output_dir / 'json_results').exists():\n",
    "    json_count = len(list((output_dir / 'json_results').glob('*.json')))\n",
    "    print(f\"  - json_results/ \u76ee\u5f55 ({json_count} \u4e2aJSON\u6587\u4ef6)\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 7. \u788e\u7247\u5206\u5e03\u53ef\u89c6\u5316\u5206\u6790"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u603b\u788e\u7247\u6570\u636e: 96061 \u6761\u8bb0\u5f55\n",
      "\n",
      "\u788e\u7247\u7edf\u8ba1\u6458\u8981:\n",
      "                             fragment_id  atom_count  molecular_weight\n",
      "ring_size cleavage_position                                           \n",
      "12        3                          897        5.28             61.21\n",
      "          4                          683        6.77             83.92\n",
      "          5                          305        7.75             95.64\n",
      "          6                          845        4.38             49.97\n",
      "          7                          848        2.40             21.29\n",
      "          8                          714        8.22            103.59\n",
      "          9                          705        7.67             96.16\n",
      "          10                         803        9.64            124.00\n",
      "          11                         945        9.16            116.30\n",
      "          12                         835       10.44            134.31\n",
      "13        3                          396        5.10             57.39\n",
      "          4                          201       11.33            154.34\n",
      "          5                          423        3.43             35.68\n",
      "          6                          463        7.23             90.62\n",
      "          7                          360        4.01             44.09\n",
      "          8                          266        2.35             20.75\n",
      "          9                          440        7.12             85.06\n",
      "          10                         254        2.87             28.45\n",
      "          11                         339        3.19             32.90\n",
      "          12                         442       13.69            179.52\n",
      "\n",
      "\u2705 \u5206\u6790\u56fe\u8868\u5df2\u4fdd\u5b58: /home/zly/project/macro_split/output/ring12_20_analysis/ring12_20_fragment_analysis.png\n"
     ]
    },
    {
     "data": {
      "image/png": "[encoded data, 129916 characters]",
      "text/plain": [
       "<Figure size 1600x1200 with 4 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "# \u5bfc\u5165\u7ed8\u56fe\u5e93\n",
    "try:\n",
    "    import seaborn as sns\n",
    "    import matplotlib.pyplot as plt\n",
    "    sns.set_style(\"whitegrid\")\n",
    "    HAVE_PLOTTING = True\n",
    "except ImportError:\n",
    "    print(\"\u26a0\ufe0f \u9700\u8981\u5b89\u88c5seaborn\u548cmatplotlib\u8fdb\u884c\u53ef\u89c6\u5316\")\n",
    "    HAVE_PLOTTING = False\n",
    "\n",
    "if HAVE_PLOTTING:\n",
    "    # \u6536\u96c6\u6240\u6709\u788e\u7247\u6570\u636e\u7528\u4e8e\u5206\u6790\n",
    "    all_fragments_data = []\n",
    "\n",
    "    for ring_size in range(12, 21):\n",
    "        csv_file = output_dir / f'ring{ring_size}_fragments_analysis.csv'\n",
    "        if csv_file.exists():\n",
    "            df_ring = pd.read_csv(csv_file)\n",
    "            df_ring['ring_size'] = ring_size\n",
    "            all_fragments_data.append(df_ring)\n",
    "\n",
    "    if all_fragments_data:\n",
    "        df_all_fragments = pd.concat(all_fragments_data, ignore_index=True)\n",
    "        print(f\"\u603b\u788e\u7247\u6570\u636e: {len(df_all_fragments)} \u6761\u8bb0\u5f55\")\n",
    "        \n",
    "        # \u6309\u73af\u5927\u5c0f\u548c\u4f4d\u7f6e\u7edf\u8ba1\u788e\u7247\n",
    "        fragment_stats = df_all_fragments.groupby(['ring_size', 'cleavage_position']).agg({\n",
    "            'fragment_id': 'count',\n",
    "            'atom_count': 'mean',\n",
    "            'molecular_weight': 'mean'\n",
    "        }).round(2)\n",
    "        \n",
    "        print(\"\\n\u788e\u7247\u7edf\u8ba1\u6458\u8981:\")\n",
    "        print(fragment_stats.head(20))\n",
    "        \n",
    "        # \u53ef\u89c6\u5316\n",
    "        fig, axes = plt.subplots(2, 2, figsize=(16, 12))\n",
    "        fig.suptitle('12-20 Membered Macrolactone Side Chain Fragment Analysis', fontsize=16, fontweight='bold')\n",
    "        \n",
    "        # 1. \u5404\u73af\u5927\u5c0f\u788e\u7247\u6570\u91cf\u5206\u5e03\n",
    "        ax = axes[0, 0]\n",
    "        ring_fragment_counts = df_all_fragments.groupby('ring_size')['fragment_id'].count()\n",
    "        ring_fragment_counts.plot(kind='bar', ax=ax, color='skyblue')\n",
    "        ax.set_title('Fragment Count by Ring Size')\n",
    "        ax.set_xlabel('Ring Size')\n",
    "        ax.set_ylabel('Fragment Count')\n",
    "        ax.grid(True, alpha=0.3)\n",
    "        \n",
    "        # 2. \u788e\u7247\u539f\u5b50\u6570\u5206\u5e03\n",
    "        ax = axes[0, 1]\n",
    "        sns.histplot(df_all_fragments['atom_count'], kde=True, ax=ax, bins=30, color='green', alpha=0.7)\n",
    "        ax.set_title(f'Fragment Atom Count Distribution (n={len(df_all_fragments)})')\n",
    "        ax.set_xlabel('Atom Count')\n",
    "        ax.set_ylabel('Frequency')\n",
    "        ax.grid(True, alpha=0.3)\n",
    "        \n",
    "        # 3. \u788e\u7247\u5206\u5b50\u91cf\u5206\u5e03\n",
    "        ax = axes[1, 0]\n",
    "        sns.histplot(df_all_fragments['molecular_weight'], kde=True, ax=ax, bins=30, color='orange', alpha=0.7)\n",
    "        ax.set_title(f'Fragment Molecular Weight Distribution (n={len(df_all_fragments)})')\n",
    "        ax.set_xlabel('Molecular Weight (Da)')\n",
    "        ax.set_ylabel('Frequency')\n",
    "        ax.grid(True, alpha=0.3)\n",
    "        \n",
    "        # 4. \u5404\u73af\u5927\u5c0f\u5e73\u5747\u788e\u7247\u5927\u5c0f\n",
    "        ax = axes[1, 1]\n",
    "        avg_sizes = df_all_fragments.groupby('ring_size')[['atom_count', 'molecular_weight']].mean()\n",
    "        avg_sizes.plot(kind='bar', ax=ax)\n",
    "        ax.set_title('Average Fragment Size by Ring Size')\n",
    "        ax.set_xlabel('Ring Size')\n",
    "        ax.set_ylabel('Average Size')\n",
    "        ax.legend()\n",
    "        ax.grid(True, alpha=0.3)\n",
    "        \n",
    "        plt.tight_layout()\n",
    "        \n",
    "        # \u4fdd\u5b58\u56fe\u7247\n",
    "        plot_file = output_dir / 'ring12_20_fragment_analysis.png'\n",
    "        plt.savefig(plot_file, dpi=300, bbox_inches='tight')\n",
    "        print(f\"\\n\u2705 \u5206\u6790\u56fe\u8868\u5df2\u4fdd\u5b58: {plot_file}\")\n",
    "        \n",
    "        plt.show()\n",
    "    else:\n",
    "        print(\"\u26a0\ufe0f \u6ca1\u6709\u627e\u5230\u788e\u7247\u6570\u636e\u8fdb\u884c\u5206\u6790\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 8. \u6865\u73af\u5206\u5b50\u65ad\u88c2\u6d4b\u8bd5"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\u5904\u7406\u6865\u73af\u5206\u5b50: 114 \u4e2a\n",
      "\n",
      "\u6d4b\u8bd5\u6865\u73af\u5206\u5b50: CHEMBL437538\n",
      "\u8bc6\u522b\u7684\u73af\u5927\u5c0f: [19, 20]\n",
      "\n",
      "\u5c1d\u8bd5 19 \u5143\u73af\u65ad\u88c2...\n",
      "  \u2713 \u6210\u529f\u751f\u6210 14 \u4e2a\u788e\u7247\n",
      "\n",
      "\u5c1d\u8bd5 20 \u5143\u73af\u65ad\u88c2...\n",
      "  \u2713 \u6210\u529f\u751f\u6210 8 \u4e2a\u788e\u7247\n",
      "\n",
      "19\u5143\u73af\u7ed3\u679c:\n",
      "  \u788e\u7247\u6570\u91cf: 14\n",
      "  \u793a\u4f8b\u788e\u7247: *C(C)C...\n",
      "\n",
      "20\u5143\u73af\u7ed3\u679c:\n",
      "  \u788e\u7247\u6570\u91cf: 8\n",
      "  \u793a\u4f8b\u788e\u7247: *C(C)C...\n",
      "\n",
      "\u2705 \u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c\u5df2\u4fdd\u5b58: /home/zly/project/macro_split/output/ring12_20_analysis/bridge_ring_fragmentation_test.json\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "[21:09:42] non-ring atom 0 marked aromatic\n",
      "[21:09:42] non-ring atom 0 marked aromatic\n"
     ]
    }
   ],
   "source": [
    "# \u5904\u7406\u6865\u73af\u5206\u5b50\uff08\u53ef\u9009\uff0c\u5c55\u793a\u5982\u4f55\u5904\u7406\uff09\n",
    "if len(df_bridge) > 0:\n",
    "    print(f\"\u5904\u7406\u6865\u73af\u5206\u5b50: {len(df_bridge)} \u4e2a\")\n",
    "    \n",
    "    # \u9009\u62e9\u7b2c\u4e00\u4e2a\u6865\u73af\u5206\u5b50\u8fdb\u884c\u6d4b\u8bd5\n",
    "    test_bridge = df_bridge.iloc[0]\n",
    "    print(f\"\\n\u6d4b\u8bd5\u6865\u73af\u5206\u5b50: {test_bridge['IDs']}\")\n",
    "    print(f\"\u8bc6\u522b\u7684\u73af\u5927\u5c0f: {test_bridge['detected_ring_sizes']}\")\n",
    "    \n",
    "    # \u4e3a\u6bcf\u4e2a\u53ef\u80fd\u7684\u73af\u5927\u5c0f\u5c1d\u8bd5\u65ad\u88c2\n",
    "    bridge_fragments = {}\n",
    "    for ring_size in test_bridge['detected_ring_sizes']:\n",
    "        print(f\"\\n\u5c1d\u8bd5 {ring_size} \u5143\u73af\u65ad\u88c2...\")\n",
    "        try:\n",
    "            fragmenter = MacrolactoneFragmenter(ring_size=ring_size)\n",
    "            result = fragmenter.process_molecule(test_bridge['smiles'], parent_id=test_bridge['IDs'])\n",
    "            bridge_fragments[ring_size] = result\n",
    "            print(f\"  \u2713 \u6210\u529f\u751f\u6210 {len(result.fragments)} \u4e2a\u788e\u7247\")\n",
    "        except Exception as e:\n",
    "            print(f\"  \u2717 \u65ad\u88c2\u5931\u8d25: {e}\")\n",
    "    \n",
    "    # \u663e\u793a\u7ed3\u679c\u5bf9\u6bd4\n",
    "    for ring_size, result in bridge_fragments.items():\n",
    "        print(f\"\\n{ring_size}\u5143\u73af\u7ed3\u679c:\")\n",
    "        print(f\"  \u788e\u7247\u6570\u91cf: {len(result.fragments)}\")\n",
    "        if result.fragments:\n",
    "            print(f\"  \u793a\u4f8b\u788e\u7247: {result.fragments[0].fragment_smiles[:30]}...\")\n",
    "    \n",
    "    # \u4fdd\u5b58\u6865\u73af\u65ad\u88c2\u7ed3\u679c\n",
    "    bridge_results_file = output_dir / 'bridge_ring_fragmentation_test.json'\n",
    "    with open(bridge_results_file, 'w') as f:\n",
    "        json.dump({\n",
    "            'molecule_id': test_bridge['IDs'],\n",
    "            'smiles': test_bridge['smiles'],\n",
    "            'identified_ring_sizes': test_bridge['detected_ring_sizes'],\n",
    "            'fragmentation_results': {\n",
    "                ring_size: result.to_dict() for ring_size, result in bridge_fragments.items()\n",
    "            }\n",
    "        }, f, indent=2, ensure_ascii=False)\n",
    "    \n",
    "    print(f\"\\n\u2705 \u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c\u5df2\u4fdd\u5b58: {bridge_results_file}\")\n",
    "\n",
    "else:\n",
    "    print(\"\u6ca1\u6709\u6865\u73af\u5206\u5b50\u9700\u8981\u5904\u7406\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## 9. \u603b\u7ed3"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "================================================================================\n",
      "12-20\u5143\u73af\u5927\u73af\u5185\u916f\u4fa7\u94fe\u65ad\u88c2\u5206\u6790\u5b8c\u6210\uff01\n",
      "================================================================================\n",
      "\n",
      "\ud83d\udcca \u6570\u636e\u5904\u7406\u7edf\u8ba1:\n",
      "  \u539f\u59cb\u6570\u636e: 11036 \u4e2a\u5206\u5b50\n",
      "  \u6709\u6548\u5927\u73af\u5185\u916f: 10911 \u4e2a\u5206\u5b50\n",
      "  \u6865\u73af\u5206\u5b50: 114 \u4e2a\u5206\u5b50\n",
      "  12\u5143\u73af: 1423 \u5206\u5b50, 7580 \u788e\u7247\n",
      "  13\u5143\u73af: 679 \u5206\u5b50, 4132 \u788e\u7247\n",
      "  14\u5143\u73af: 3050 \u5206\u5b50, 29571 \u788e\u7247\n",
      "  15\u5143\u73af: 1603 \u5206\u5b50, 17561 \u788e\u7247\n",
      "  16\u5143\u73af: 2043 \u5206\u5b50, 16309 \u788e\u7247\n",
      "  17\u5143\u73af: 199 \u5206\u5b50, 1279 \u788e\u7247\n",
      "  18\u5143\u73af: 810 \u5206\u5b50, 7306 \u788e\u7247\n",
      "  19\u5143\u73af: 855 \u5206\u5b50, 10041 \u788e\u7247\n",
      "  20\u5143\u73af: 243 \u5206\u5b50, 2282 \u788e\u7247\n",
      "\n",
      "  \u603b\u8ba1\u5904\u7406: 10905 \u5206\u5b50, 96061 \u4e2a\u788e\u7247\n",
      "\n",
      "\ud83d\udcc1 \u8f93\u51fa\u6587\u4ef6\u4f4d\u7f6e: /home/zly/project/macro_split/output/ring12_20_analysis\n",
      "\n",
      "\u751f\u6210\u7684\u4e3b\u8981\u6587\u4ef6:\n",
      "  - ring{12-20}_fragments_analysis.csv (\u5404\u73af\u5927\u5c0f\u788e\u7247\u6570\u636e)\n",
      "  - ring{12-20}_molecular_properties.csv (\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6027\u8d28)\n",
      "  - json_results/ (JSON\u683c\u5f0f\u7684\u8be6\u7ec6\u7ed3\u679c)\n",
      "  - bridge_ring_molecules.csv (\u6865\u73af\u5206\u5b50\u5217\u8868)\n",
      "  - ring12_20_fragment_analysis.png (\u5206\u6790\u56fe\u8868)\n",
      "  - bridge_ring_fragmentation_test.json (\u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c)\n",
      "\n",
      "\u2705 \u5206\u6790\u5b8c\u6210\uff01\u53ef\u4ee5\u6839\u636e\u9700\u8981\u8fdb\u4e00\u6b65\u5206\u6790\u7279\u5b9a\u73af\u5927\u5c0f\u6216\u6bd4\u8f83\u4e0d\u540c\u73af\u7684\u5927\u5c0f\u7279\u5f81\u3002\n",
      "================================================================================\n"
     ]
    }
   ],
   "source": [
    "print(\"=\"*80)\n",
    "print(\"12-20\u5143\u73af\u5927\u73af\u5185\u916f\u4fa7\u94fe\u65ad\u88c2\u5206\u6790\u5b8c\u6210\uff01\")\n",
    "print(\"=\"*80)\n",
    "\n",
    "print(f\"\\n\ud83d\udcca \u6570\u636e\u5904\u7406\u7edf\u8ba1:\")\n",
    "print(f\"  \u539f\u59cb\u6570\u636e: {len(df)} \u4e2a\u5206\u5b50\")\n",
    "print(f\"  \u6709\u6548\u5927\u73af\u5185\u916f: {len(df_valid)} \u4e2a\u5206\u5b50\")\n",
    "print(f\"  \u6865\u73af\u5206\u5b50: {len(df_bridge)} \u4e2a\u5206\u5b50\")\n",
    "\n",
    "total_processed = 0\n",
    "total_fragments = 0\n",
    "for ring_size, results in all_fragments_results.items():\n",
    "    mol_count = len(results)\n",
    "    frag_count = sum(len(r.fragments) for r in results)\n",
    "    total_processed += mol_count\n",
    "    total_fragments += frag_count\n",
    "    print(f\"  {ring_size}\u5143\u73af: {mol_count} \u5206\u5b50, {frag_count} \u788e\u7247\")\n",
    "\n",
    "print(f\"\\n  \u603b\u8ba1\u5904\u7406: {total_processed} \u5206\u5b50, {total_fragments} \u4e2a\u788e\u7247\")\n",
    "\n",
    "print(f\"\\n\ud83d\udcc1 \u8f93\u51fa\u6587\u4ef6\u4f4d\u7f6e: {output_dir}\")\n",
    "print(\"\\n\u751f\u6210\u7684\u4e3b\u8981\u6587\u4ef6:\")\n",
    "print(\"  - ring{12-20}_fragments_analysis.csv (\u5404\u73af\u5927\u5c0f\u788e\u7247\u6570\u636e)\")\n",
    "print(\"  - ring{12-20}_molecular_properties.csv (\u5404\u73af\u5927\u5c0f\u5206\u5b50\u6027\u8d28)\")\n",
    "print(\"  - json_results/ (JSON\u683c\u5f0f\u7684\u8be6\u7ec6\u7ed3\u679c)\")\n",
    "print(\"  - bridge_ring_molecules.csv (\u6865\u73af\u5206\u5b50\u5217\u8868)\")\n",
    "\n",
    "if HAVE_PLOTTING:\n",
    "    print(\"  - ring12_20_fragment_analysis.png (\u5206\u6790\u56fe\u8868)\")\n",
    "\n",
    "if len(df_bridge) > 0:\n",
    "    print(\"  - bridge_ring_fragmentation_test.json (\u6865\u73af\u65ad\u88c2\u6d4b\u8bd5\u7ed3\u679c)\")\n",
    "\n",
    "print(\"\\n\u2705 \u5206\u6790\u5b8c\u6210\uff01\u53ef\u4ee5\u6839\u636e\u9700\u8981\u8fdb\u4e00\u6b65\u5206\u6790\u7279\u5b9a\u73af\u5927\u5c0f\u6216\u6bd4\u8f83\u4e0d\u540c\u73af\u7684\u5927\u5c0f\u7279\u5f81\u3002\")\n",
    "print(\"=\"*80)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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    "name": "ipython",
    "version": 3
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   "file_extension": ".py",
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