notebooks/Finding Scaffolds.ipynb

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  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# A set of scaffolds from CheMBL papers"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Andrew Dalke has been [working](http://www.dalkescientific.com/writings/diary/archive/2012/08/21/structure_query_collection.html) on putting together a dataset for testing substructure screenout performance for a while now. Due to concerns about privacy and/or confidentiality it's really difficult to get \"real world\" data on the kinds of things that scientists (really mostly chemists) look for in large-scale research systems like the data warehouses one finds in pharma companies. We have the data, but because of the nature of the searches we can't share it. Andrew visited us recently and the topic of substructure screening came up again. (Aside: There were three people in that room who cared deeply about substructure screening and who have invested some real thought and effort in it, how often does that happen? Sometimes I love my job!) During the conversation we came up with a way to fake having access to our actual queries. This post is about that.\n",
    "\n",
    "One of the common use cases we see for substructure searching in the warehouse is to find all compounds that are in a particular chemical series. We obviously can't disclose the series that people are searching our database for, but we can fake it by collecting a bunch of substructure queries defining medchem-relevant chemical scaffolds and using those. This would have the added advantage of including things that have query features (variable atom and bond lists). Now we just need a source of medchem relevant scaffolds.\n",
    "\n",
    "I did a [post](http://rdkit.blogspot.ch/2014/02/more-on-datasets-ii.html) a while ago on the composition of the molecule sets we called \"Datasets 2\" in the [model fusion](http://pubs.acs.org/doi/abs/10.1021/ci400466r) paper. Since these are pulled from individual publications found in ChEMBL they tend to be made up of a set of molecules from one scaffold and then a few other molecules. One of the things I showed in that post was a method for estimating what the scaffold is in these sets using the RDKit's MCS code. This builds on that.\n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# On to the work"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Start with the preliminaries\n",
    "\n",
    "We need to do a bunch of imports and define some functions we'll use later.\n",
    "\n",
    "*Note:* This is a Python3 notebook, so the code below may not work in Python2."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
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   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "2015.09.1pre\n",
      "Thu May 28 04:42:14 2015\n"
     ]
    }
   ],
   "source": [
    "import numpy\n",
    "from rdkit.Chem.Draw import IPythonConsole\n",
    "import pandas as pd\n",
    "from rdkit.Chem import PandasTools\n",
    "from rdkit.Chem import AllChem as Chem\n",
    "from rdkit.Chem import rdFMCS as MCS\n",
    "import pickle\n",
    "from rdkit import rdBase\n",
    "print(rdBase.rdkitVersion)\n",
    "\n",
    "import time\n",
    "print(time.asctime())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "# define a function to convert a query molecule to SVG using the new rendering code.\n",
    "\n",
    "from IPython.display import SVG\n",
    "from rdkit.Chem import rdDepictor\n",
    "from rdkit.Chem.Draw import rdMolDraw2D\n",
    "def moltosvg(mol,molSize=(450,250),kekulize=True):\n",
    "    mc = Chem.Mol(mol.ToBinary())\n",
    "    if kekulize:\n",
    "        try:\n",
    "            Chem.Kekulize(mc)\n",
    "        except:\n",
    "            mc = Chem.Mol(mol.ToBinary())\n",
    "    if not mc.GetNumConformers():\n",
    "        rdDepictor.Compute2DCoords(mc)\n",
    "    drawer = rdMolDraw2D.MolDraw2DSVG(molSize[0],molSize[1])\n",
    "    # the MolDraw2D code is not very good at the moment at dealing with atom queries,\n",
    "    # this is a workaround until that's fixed.\n",
    "    # The rendering is still not going to be perfect because query bonds are not properly indicated\n",
    "    opts = drawer.drawOptions()\n",
    "    for atom in mc.GetAtoms():\n",
    "        if atom.HasQuery() and atom.DescribeQuery().find('AtomAtomicNum')!=0:\n",
    "            opts.atomLabels[atom.GetIdx()]=atom.GetSmarts()\n",
    "    drawer.DrawMolecule(mc)\n",
    "    drawer.FinishDrawing()\n",
    "    svg = drawer.GetDrawingText()\n",
    "    # It seems that the svg renderer used doesn't quite hit the spec.\n",
    "    # Here are some fixes to make it work in the notebook, although I think\n",
    "    # the underlying issue needs to be resolved at the generation step\n",
    "    return svg.replace('svg:','')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "# define a function to find the MCS for a set of molecules and return some summary info about that MCS\n",
    "\n",
    "import time\n",
    "# we will use a namedtuple to return the results\n",
    "from collections import namedtuple\n",
    "MCSRes=namedtuple('MCSRes',('smarts','numAtoms','numMols','avgNumMolAtoms','mcsTime'))\n",
    "\n",
    "def MCS_Report(ms,printSmarts=True,\n",
    "               atomCompare=MCS.AtomCompare.CompareAny,\n",
    "               bondCompare=MCS.BondCompare.CompareAny,\n",
    "               completeRingsOnly=True,\n",
    "               **kwargs):\n",
    "    t1=time.time()\n",
    "    mcs = MCS.FindMCS(ms,atomCompare=atomCompare,bondCompare=bondCompare,timeout=30,completeRingsOnly=completeRingsOnly,\n",
    "                      **kwargs)\n",
    "    t2=time.time()\n",
    "    nAts = numpy.array([x.GetNumAtoms() for x in ms])\n",
    "    print('Mean nAts %.1f, mcs nAts: %d'%(nAts.mean(),mcs.numAtoms))\n",
    "    if printSmarts: \n",
    "        print(mcs.smartsString)\n",
    "    mcsM = Chem.MolFromSmarts(mcs.smartsString)         \n",
    "    mcsM.UpdatePropertyCache(False)\n",
    "    Chem.SetHybridization(mcsM)\n",
    "    svg = moltosvg(mcsM,kekulize=False)\n",
    "    tpl = MCSRes(mcs.smartsString,mcs.numAtoms,len(ms),nAts,t2-t1)\n",
    "    return tpl,svg\n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Grab the benchmarking data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "37\n"
     ]
    }
   ],
   "source": [
    "import glob\n",
    "pkls = glob.glob('/home/glandrum/Code/benchmarking_platform/compounds/ChEMBL_II/*.pkl')\n",
    "print(len(pkls))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Get target information from our local ChEMBL copy:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "%load_ext sql\n",
    "%config SqlMagic.feedback = False"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "import os\n",
    "tgts={}\n",
    "for pkl in pkls:\n",
    "    fn = os.path.split(pkl)[-1]\n",
    "    basen = os.path.splitext(fn)[0]\n",
    "    tgtn=int(basen.split('_')[-1])\n",
    "    data = %sql postgresql://localhost/chembl_20 \\\n",
    "          select tid,pref_name,organism from target_dictionary where tid=:tgtn ;\n",
    "    tgts[data[0][0]]=(pkl,data[0][1],data[0][2])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "15 Carbonic anhydrase II Homo sapiens\n",
      "25 Glucocorticoid receptor Homo sapiens\n",
      "43 Beta-2 adrenergic receptor Homo sapiens\n",
      "51 Serotonin 1a (5-HT1a) receptor Homo sapiens\n",
      "61 Muscarinic acetylcholine receptor M1 Homo sapiens\n",
      "65 Cytochrome P450 19A1 Homo sapiens\n",
      "72 Dopamine D2 receptor Homo sapiens\n",
      "87 Cannabinoid CB1 receptor Homo sapiens\n",
      "90 Dopamine D4 receptor Homo sapiens\n",
      "93 Acetylcholinesterase Homo sapiens\n",
      "100 Norepinephrine transporter Homo sapiens\n",
      "107 Serotonin 2a (5-HT2a) receptor Homo sapiens\n",
      "108 Serotonin 2c (5-HT2c) receptor Homo sapiens\n",
      "114 Adenosine A1 receptor Homo sapiens\n",
      "121 Serotonin transporter Homo sapiens\n",
      "126 Cyclooxygenase-2 Homo sapiens\n",
      "130 Dopamine D3 receptor Homo sapiens\n",
      "165 HERG Homo sapiens\n",
      "259 Cannabinoid CB2 receptor Homo sapiens\n",
      "10188 MAP kinase p38 alpha Homo sapiens\n",
      "10193 Carbonic anhydrase I Homo sapiens\n",
      "10260 Vanilloid receptor Homo sapiens\n",
      "10280 Histamine H3 receptor Homo sapiens\n",
      "10434 Tyrosine-protein kinase SRC Homo sapiens\n",
      "10980 Vascular endothelial growth factor receptor 2 Homo sapiens\n",
      "11140 Dipeptidyl peptidase IV Homo sapiens\n",
      "11365 Cytochrome P450 2D6 Homo sapiens\n",
      "11489 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens\n",
      "11534 Cathepsin S Homo sapiens\n",
      "11575 C-C chemokine receptor type 2 Homo sapiens\n",
      "11631 Sphingosine 1-phosphate receptor Edg-1  Homo sapiens\n",
      "12209 Carbonic anhydrase XII Homo sapiens\n",
      "12252 Beta-secretase 1 Homo sapiens\n",
      "12952 Carbonic anhydrase IX Homo sapiens\n",
      "13001 Matrix metalloproteinase-2 Homo sapiens\n",
      "17045 Cytochrome P450 3A4 Homo sapiens\n",
      "19905 Melanin-concentrating hormone receptor 1 Homo sapiens\n"
     ]
    }
   ],
   "source": [
    "for idx in sorted(tgts.keys()):\n",
    "    pkl,tgt,species = tgts[idx]\n",
    "    print(idx,tgt,species)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "The data is organized in a dictionary with one entry per paper."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "The `MCS_Report()` function defined above prints out the mean number of atoms per molecule in the input along with the size of the MCS. This is intended to help assess whether or not the MCS is actually a scaffold."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "metadata": {
    "collapsed": false,
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Mean nAts 29.4, mcs nAts: 26\n",
      "[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#7,#8]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#7]2-[#6]-[#6](-[#6]-2)-[#6](=[#8])-[#8]):[#7,#8]:[#8,#7]:1\n"
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       "<path d=\"M 348.823,150.297 360.589,152.097\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 333.739,143.232 335.493,131.775\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 335.493,131.775 337.246,120.318\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 360.589,152.097 364.807,124.536\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 364.807,124.536 337.246,120.318\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 364.807,124.536 387.279,108.03\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 385.431,108.234 384.158,96.7003\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 384.158,96.7003 382.885,85.1669\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 389.126,107.826 387.853,96.2925\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 387.853,96.2925 386.58,84.759\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 387.279,108.03 395.86,111.797\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 395.86,111.797 404.441,115.564\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 185.436,90.6092 188.623,90.9274\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 188.623,90.9274 191.811,91.2456\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 185.704,94.3721 188.254,94.6267\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 188.254,94.6267 190.804,94.8812\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"37.5142\" y=\"142.283\"><tspan>[#8,#6]</tspan></text>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"167.301\" y=\"137.075\"><tspan>[#7,#8]</tspan></text>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"329\" y=\"151.332\"><tspan>N</tspan></text>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"379.88\" y=\"83.7689\"><tspan>O</tspan></text>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"404.441\" y=\"122.691\"><tspan>OH</tspan></text>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"185.436\" y=\"95.7653\"><tspan>[#7,#8]</tspan></text>\n",
       "<text style=\"font-size:9px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"157.691\" y=\"92.9955\"><tspan>[#8,#7]</tspan></text>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 40,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "sets = pickle.load(open(tgts[11631][0],'rb'))\n",
    "docid,cmpds = next(iter(sets.items()))\n",
    "ids,smis= zip(*cmpds)\n",
    "mols = [Chem.MolFromSmiles(x) for x in smis]\n",
    "\n",
    "tpl,svg = MCS_Report(mols,threshold=0.8,completeRingsOnly=True)\n",
    "SVG(svg)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Find scaffolds in bulk\n",
    "\n",
    "Now let's look at all the papers"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "def processTarget(tid):\n",
    "    pkl,target,species=tgts[tid]\n",
    "    print('-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*')\n",
    "    print('\\t',target,species)\n",
    "    sets = pickle.load(open(pkl,'rb'))\n",
    "    print('\\t\\t %d papers'%(len(sets)))\n",
    "    alldata=[]\n",
    "    for docid,cmpds in sets.items():\n",
    "        data = %sql  \\\n",
    "              select journal,volume,first_page,year from docs where doc_id=:docid ;\n",
    "        ref=', '.join(str(x) for x in data[0])\n",
    "        print( '----------------')\n",
    "        print(ref)\n",
    "        ids,smis= zip(*cmpds)\n",
    "        mols = [Chem.MolFromSmiles(x) for x in smis]\n",
    "        tpl,svg = MCS_Report(mols,printSmarts=True,threshold=0.8,completeRingsOnly=True)\n",
    "        alldata.append((tid,docid,ref,tpl,mols))\n",
    "    return alldata "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Sphingosine 1-phosphate receptor Edg-1  Homo sapiens\n",
      "\t\t 7 papers\n",
      "----------------\n",
      "J. Med. Chem., 48, 6169, 2005\n",
      "Mean nAts 29.4, mcs nAts: 26\n",
      "[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#7,#8]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#7]2-[#6]-[#6](-[#6]-2)-[#6](=[#8])-[#8]):[#7,#8]:[#8,#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 663, 2007\n",
      "Mean nAts 24.9, mcs nAts: 16\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6,#7]-[#6]-[#6](-[#7,#8])-[#6]-[#6,#8]-[#15](=[#8])(-[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 144, 2012\n",
      "Mean nAts 30.6, mcs nAts: 29\n",
      "[#6]-[#6]1=[#6](-[#6]-[#7]2-[#6]-[#6](-[#6]-2)-[#6](=[#8])-[#8])-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 1779, 2012\n",
      "Mean nAts 31.2, mcs nAts: 28\n",
      "[#7,#6]-[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#7]:[#6]:2:[#16]:1)-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 3351, 2004\n",
      "Mean nAts 24.6, mcs nAts: 23\n",
      "[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6](-[#7])-[#6]-[#6,#8]-[#6,#15,#16](=[#8])-,=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3564, 2006\n",
      "Mean nAts 31.4, mcs nAts: 14\n",
      "[#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#6](-[#6]-,=[#6,#8])-[#6]-[#7]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1390, 2011\n",
      "Mean nAts 26.5, mcs nAts: 13\n",
      "[#6]-[#7,#6]-[#6]-[#6]=,-[#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6]-,=[#6]\n"
     ]
    }
   ],
   "source": [
    "alldata=processTarget(11631)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Cool, do it for every target. Note that this takes a while; it would have been clever to do this using IPython's clustering, but I ended up just starting it and going off to do something else."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cytochrome P450 19A1 Homo sapiens\n",
      "\t\t 6 papers\n",
      "----------------\n",
      "J. Med. Chem., 47, 6792, 2004\n",
      "Mean nAts 20.3, mcs nAts: 12\n",
      "[#6]1:[#6]:[#6](-[#6]-[#7]2:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2):[#6]:[#6,#8]:[#6,#8]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 8349, 2008\n",
      "Mean nAts 26.1, mcs nAts: 16\n",
      "[#6]-[#6]-[#7,#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6])-[#7]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:1\n",
      "----------------\n",
      "ACS Med. Chem. Lett., 2, 243, 2011\n",
      "Mean nAts 30.2, mcs nAts: 21\n",
      "[#7]#[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]:[#7]:[#7]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 3420, 2007\n",
      "Mean nAts 22.5, mcs nAts: 14\n",
      "[#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 1474, 2008\n",
      "Mean nAts 20.6, mcs nAts: 17\n",
      "[#8]=[#6]1-,:[#6]-,:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,:[#8]-,:[#6]2:[#6]-,:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "J. Med. Chem., 53, 5347, 2010\n",
      "Mean nAts 21.8, mcs nAts: 12\n",
      "[#6]1:[#6]:[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Tyrosine-protein kinase SRC Homo sapiens\n",
      "\t\t 8 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3993, 2006\n",
      "Mean nAts 37.9, mcs nAts: 32\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6](-[#6]#[#7]):[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6](:[#6](:[#6]:3)-[#6]#[#6]-[#6]2:[#6,#7]:[#7,#6]:[#6]:[#6]:[#6,#7]:2)-[#8]-[#6]):[#6]:[#6]:[#6]:1-[#17,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 602, 2007\n",
      "Mean nAts 35.7, mcs nAts: 26\n",
      "[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#7,#6]:[#6]:[#7,#6]:2):[#6]:[#6]2:[#6]:1:[#7]:[#6](:[#7]:[#7]:2)-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6,#7,#16]-[#6,#7]-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5446, 2005\n",
      "Mean nAts 35.1, mcs nAts: 26\n",
      "[#6]-[#8]-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#6](:[#7,#6]:1)-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#6](:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#7,#6])-[#8]-[#6])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 5890, 2008\n",
      "Mean nAts 35.0, mcs nAts: 27\n",
      "[#8,#6]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7,#6]):[#7]:[#6]:[#6](:[#6]:2-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#16,#7]:1)-[#6]#[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 1743, 2005\n",
      "Mean nAts 32.2, mcs nAts: 22\n",
      "[#7]#[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6,#8]=,-,#[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4681, 2005\n",
      "Mean nAts 34.9, mcs nAts: 23\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6]3:[#16]:[#6](-[#6]):[#6]:[#6]:3:[#7]:[#6]:[#6]:2-[#6]#[#7]):[#6](:[#6]:[#6]:1-[#17])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5546, 2006\n",
      "Mean nAts 30.1, mcs nAts: 25\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#7]:[#6](:[#7]:2)-[#7]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1)-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 48, 5909, 2005\n",
      "Mean nAts 38.2, mcs nAts: 30\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6](-[#6]#[#7]):[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]2:[#6]:[#6](:[#6](:[#6]:[#6]:2:[#6]:3)-[#8]-[#6])-[#8]-[#6]):[#6]:[#6]:[#6]:1-[#17,#6,#8,#9]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cannabinoid CB2 receptor Homo sapiens\n",
      "\t\t 33 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 1149, 2010\n",
      "Mean nAts 37.4, mcs nAts: 28\n",
      "[#8,#7]=,-[#6](-,=[#7,#8])-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#17]):[#6](:[#6]:1-[#6]-[#7]1:[#6]:[#7]:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 6299, 2007\n",
      "Mean nAts 26.5, mcs nAts: 21\n",
      "[#6]-[#6]1:[#6](-[#6](-,=[#6,#8])-,=[#6,#7,#8]):[#16]:[#6](:[#7]:1-[#6]-[#6])=[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#7,#8,#17,#35]\n",
      "----------------\n",
      "J. Med. Chem., 52, 5785, 2009\n",
      "Mean nAts 26.8, mcs nAts: 20\n",
      "[#6]-[#6,#7]1:[#6]:[#7,#6]:[#6]2:[#6]:1:[#6](-[#6](=[#8])-[#7]):[#6]:[#7]:[#6]:2-[#7]-[#6]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "J. Med. Chem., 54, 8278, 2011\n",
      "Mean nAts 30.8, mcs nAts: 18\n",
      "[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8,#6]-[#6]-[#6,#8]-[#8,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 6489, 2008\n",
      "Mean nAts 28.0, mcs nAts: 27\n",
      "[#6]-[#6]1=[#6]-[#6]-[#6]2-[#6](-[#6]-1)-[#6]1:[#6](-[#8]):[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]-2(-[#6])-[#6])-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 2597, 2007\n",
      "Mean nAts 28.4, mcs nAts: 27\n",
      "[#8]=[#6](-[#7]-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#7]:[#6](:[#7]:[#6]:1-[#6](-[#9])(-[#9])-[#9])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 1604, 2009\n",
      "Mean nAts 27.5, mcs nAts: 20\n",
      "[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7,#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#8,#6]-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5004, 2009\n",
      "Mean nAts 26.6, mcs nAts: 12\n",
      "[#6,#8]-,=[#6,#7]-[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6,#16]-,=[#7,#6,#8,#9])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2591, 2009\n",
      "Mean nAts 31.8, mcs nAts: 27\n",
      "[#6]-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4417, 2005\n",
      "Mean nAts 33.9, mcs nAts: 30\n",
      "[#6]-[#6](-[#7]-[#16](-[#6])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16,#6](=,-[#8,#6])(=,-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#17,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3925, 2007\n",
      "Mean nAts 24.9, mcs nAts: 22\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]=[#6]1-[#16]-[#6]-[#6]2(-[#6]-[#7]-1-[#6](=[#16])-[#16]-[#6])-[#6]-[#6]-[#6]-[#6]-[#6]-2\n",
      "----------------\n",
      "Eur. J. Med. Chem., 45, 1133, 2010\n",
      "Mean nAts 30.0, mcs nAts: 22\n",
      "[#7,#8,#16]-,=[#6](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 2842, 2009\n",
      "Mean nAts 24.0, mcs nAts: 18\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4992, 2010\n",
      "Mean nAts 28.3, mcs nAts: 19\n",
      "[#6]-[#6]-[#6]-[#6]-[#6,#7]1=,-[#7]-,=[#7,#6](-[#6](=[#8])-[#7]-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4267, 2008\n",
      "Mean nAts 28.9, mcs nAts: 13\n",
      "[#6]-[#6]1:[#7,#8]:[#8,#7]:[#6](:[#7]:1)-[#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#9]\n",
      "----------------\n",
      "J. Med. Chem., 53, 4028, 2010\n",
      "Mean nAts 36.0, mcs nAts: 31\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-,=[#7]-[#6]1-[#6]-[#6](-[#6])(-[#6])-[#8]-[#6]2:[#6]-1:[#6]:[#6](:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#6])-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 7510, 2008\n",
      "Mean nAts 30.5, mcs nAts: 24\n",
      "[#6](-[#7,#6]-[#6,#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 48, 7343, 2005\n",
      "Mean nAts 29.2, mcs nAts: 16\n",
      "[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7,#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5432, 2006\n",
      "Mean nAts 29.8, mcs nAts: 28\n",
      "[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 5698, 2011\n",
      "Mean nAts 28.6, mcs nAts: 23\n",
      "[#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6](-[#8]-[#6]):[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6](:[#6](:[#6]:2)-[#6](=[#8])-[#7]-[#6]-[#6])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 54, 5444, 2011\n",
      "Mean nAts 31.4, mcs nAts: 24\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#6](:[#6]:2=,-[#8])-[#6](=[#8])-[#7]-[#6]12-[#6]-[#6]3-[#6]-[#6](-[#6]-1)-[#6]-[#6](-[#6]-2)-[#6]-3\n",
      "----------------\n",
      "J. Med. Chem., 51, 5397, 2008\n",
      "Mean nAts 34.0, mcs nAts: 26\n",
      "[#6]-[#6]#,-,=[#6]-[#6]1:[#6]:[#6]:[#6](:[#16]:1)-[#6]1:[#6](-[#6]):[#6](-[#6](=[#8])-[#7]-[#6,#7]):[#7]:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 608, 2010\n",
      "Mean nAts 36.5, mcs nAts: 20\n",
      "[#8,#6,#7]=,-[#16](=[#8])(-,=[#7,#6,#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-[#17,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 182, 2011\n",
      "Mean nAts 28.5, mcs nAts: 25\n",
      "[#35,#6,#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#8,#6,#16]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5195, 2009\n",
      "Mean nAts 34.6, mcs nAts: 27\n",
      "[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6])(-[#6])-[#7,#8]-[#6])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]#[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2574, 2008\n",
      "Mean nAts 28.9, mcs nAts: 22\n",
      "[#6,#8]-,=[#16](=[#8])(=,-[#8,#6])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6](:[#7]:2-[#6]-[#6]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1)-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 5549, 2009\n",
      "Mean nAts 31.3, mcs nAts: 22\n",
      "[#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]):[#7]:[#7](:[#6]:1-[#7]1:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3695, 2008\n",
      "Mean nAts 31.8, mcs nAts: 25\n",
      "[#6]-[#6,#7]-[#7,#6]-[#6,#7](=,-[#8,#6])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6](:[#7]:2-[#6]-[#6])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#8]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2011, 2011\n",
      "Mean nAts 28.5, mcs nAts: 14\n",
      "[#6]-[#7,#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=,-[#8,#6])-,=[#6,#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 1725, 2008\n",
      "Mean nAts 27.4, mcs nAts: 17\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16,#6](=[#8])-[#7]1-[#6]-[#6]-[#6,#7,#8,#16]-[#6]-[#6]-1)-[#6,#16](=,-[#8,#7])-,=[#7,#8]\n",
      "----------------\n",
      "J. Med. Chem., 53, 6996, 2010\n",
      "Mean nAts 28.5, mcs nAts: 25\n",
      "[#6]-[#6]1(-[#6])-[#8]-[#6]2:[#6]:[#6](-[#6]-[#6]-,=[#6]-[#6]-[#6]-[#6]-[#35,#6]):[#6]:[#6](:[#6]:2-[#6]2-[#6]-1-[#6]-[#6]-[#6](-[#6]-2)=,-[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5931, 2009\n",
      "Mean nAts 22.8, mcs nAts: 20\n",
      "[#6]-[#6]-[#6]-[#6](=[#8])-[#7]-[#6]1:[#6,#7]:[#6]:[#6](:[#6](:[#7,#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 6377, 2010\n",
      "Mean nAts 37.1, mcs nAts: 32\n",
      "[#6]-[#6]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#17,#6]):[#6](:[#6]:1-[#6]-[#7]1:[#6]:[#7]:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#17]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Dipeptidyl peptidase IV Homo sapiens\n",
      "\t\t 23 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 5435, 2008\n",
      "Mean nAts 32.2, mcs nAts: 22\n",
      "[#7]-[#6](-[#6]-[#6](=[#8])-[#7]-[#6]1(-[#6])-[#6]-[#6]-[#16,#7](-[#6]-[#6]-1)=,-[#8,#6])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 172, 2011\n",
      "Mean nAts 31.2, mcs nAts: 24\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]-[#6]1:[#6](-[#6]):[#7]:[#6](:[#6](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6])-[#6]-[#7])-[#6]-[#6](-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4770, 2005\n",
      "Mean nAts 16.3, mcs nAts: 11\n",
      "[#7]-[#6](-[#6](=[#8])-[#7])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 6340, 2009\n",
      "Mean nAts 29.6, mcs nAts: 23\n",
      "[#7]-[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6]1:[#6,#7,#8]:[#6,#7,#8]:[#7,#6](:[#7,#6,#8]:1)-[#6,#7])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2005, 2007\n",
      "Mean nAts 25.5, mcs nAts: 15\n",
      "[#6]-[#7]1-[#6]-[#6](-[#7])-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#9])-[#17,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 49, 2007\n",
      "Mean nAts 25.8, mcs nAts: 15\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6](-[#9]):[#6]:[#6]:[#6]:1-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 1991, 2009\n",
      "Mean nAts 26.7, mcs nAts: 19\n",
      "[#8]=[#6](-[#6]1-[#6]-[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6])-[#6]-[#7]-1)-[#7]1-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Eur. J. Med. Chem., 45, 4953, 2010\n",
      "Mean nAts 30.6, mcs nAts: 26\n",
      "[#6]-[#7]1-[#6]-[#6]2-[#6]-[#7](-[#6](=[#8])-[#6]-[#6](-[#7])-[#6]-[#6]3:[#6]:[#6](-[#9]):[#6](:[#6]:[#6]:3-[#9])-[#9])-[#6]-[#6]-[#7]-2-[#6]-1=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4395, 2010\n",
      "Mean nAts 26.1, mcs nAts: 21\n",
      "[#6,#7]-[#6]1:[#7,#6]:[#6]2:[#7]:[#6](-[#6]):[#6](:[#6](:[#7]:2:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6]-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 6226, 2006\n",
      "Mean nAts 28.3, mcs nAts: 19\n",
      "[#7]-[#6]1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6273, 2010\n",
      "Mean nAts 27.8, mcs nAts: 26\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#7]2:[#6](:[#7]:1):[#7]:[#6](:[#6](:[#6]:2-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7])-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 50, 6450, 2007\n",
      "Mean nAts 30.5, mcs nAts: 23\n",
      "[#6]-[#6]#,=[#6]-[#6]-[#7]1:[#6](-[#7]2-[#6]-[#6]-[#7,#6]-[#6]-[#6]-2):[#7]:[#6]2:[#6]:1:[#6](=[#8]):[#7](-[#6]):[#6](:[#7]:2-[#6])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1109, 2010\n",
      "Mean nAts 26.2, mcs nAts: 20\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6]1-[#6]-[#6](-[#7])-[#6](-[#6]-[#7]-1-[#6]-[#6]-2)-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 2253, 2005\n",
      "Mean nAts 29.2, mcs nAts: 24\n",
      "[#6]-[#6,#7]1:[#7,#6,#8,#16]:[#6,#7]:[#6](:[#16,#6,#7,#8]:1)-[#6]-[#7](-[#6](=[#8])-[#6]-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6](-[#9]):[#6]:[#6]:[#6]:1-[#9])-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 4953, 2011\n",
      "Mean nAts 25.7, mcs nAts: 23\n",
      "[#6]-[#6]-[#6]-[#7]1:[#6](-[#6]-[#7]):[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6](:[#6]:2)-[#17,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2362, 2008\n",
      "Mean nAts 20.5, mcs nAts: 19\n",
      "[#6]-[#7]1:[#7,#6]:[#7]:[#6]2:[#6]:1:[#6](:[#6](:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6,#8,#9])-[#6]-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5151, 2004\n",
      "Mean nAts 34.1, mcs nAts: 27\n",
      "[#7]-[#6](-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6,#16]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 5806, 2007\n",
      "Mean nAts 29.8, mcs nAts: 24\n",
      "[#6]-[#6](-[#6]1:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:[#6,#7]:,-[#6,#7]:,-1)-[#6](-[#7])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#9,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2409, 2008\n",
      "Mean nAts 27.7, mcs nAts: 25\n",
      "[#6](-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16,#6](-,=[#6,#8,#9])(=,-[#8,#9])=,-[#8,#6,#9]):[#7]:[#8]:1)-[#6](-[#7,#6])-[#6](=,-[#8,#9])-,=[#7,#6]1-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3158, 2008\n",
      "Mean nAts 32.9, mcs nAts: 16\n",
      "[#6]-[#6]#[#6]-[#6]-[#7]1:[#6]:[#6,#7]:[#7]:[#6]:1-[#7]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 7246, 2010\n",
      "Mean nAts 30.4, mcs nAts: 27\n",
      "[#6]-[#7]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7](:[#6](:[#6]:2)-[#7]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)(-[#6])-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1366, 2011\n",
      "Mean nAts 35.0, mcs nAts: 25\n",
      "[#7]-[#6](-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#16]-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6])-[#6]-[#6]1:[#6]:[#6](-[#9]):[#6](:[#6]:[#6]:1-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 3809, 2011\n",
      "Mean nAts 29.4, mcs nAts: 22\n",
      "[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1=[#8])-[#6](=[#8])-[#6]-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6](-[#9]):[#6](:[#6]:[#6]:1-[#9])-[#9]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Melanin-concentrating hormone receptor 1 Homo sapiens\n",
      "\t\t 33 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 2092, 2007\n",
      "Mean nAts 31.8, mcs nAts: 15\n",
      "[#6,#8]-,=[#7,#6]-[#6,#7]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]1:,-[#6]:,-[#6]:,-[#6]:[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4237, 2006\n",
      "Mean nAts 33.2, mcs nAts: 26\n",
      "[#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7]:1)-[#6]1:[#6]:[#8,#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6](:[#6]:2)-[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5270, 2006\n",
      "Mean nAts 32.3, mcs nAts: 26\n",
      "[#7,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6](:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 832, 2007\n",
      "Mean nAts 35.7, mcs nAts: 26\n",
      "[#7]=[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4262, 2006\n",
      "Mean nAts 38.6, mcs nAts: 34\n",
      "[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7](-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6])-[#9])-[#6]1-[#6]-[#6]-[#6]2(-[#6]-1-[#6]-2)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5339, 2009\n",
      "Mean nAts 34.3, mcs nAts: 31\n",
      "[#9,#6,#8]-,=[#6,#7]1:[#6]:[#6]2:[#6](:[#6]:[#7,#6]:1)-[#6]1(-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#8,#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#9])-[#8]-[#6]-2\n",
      "----------------\n",
      "J. Med. Chem., 49, 2294, 2006\n",
      "Mean nAts 36.9, mcs nAts: 27\n",
      "[#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-[#6]12-[#6]-[#6]-1-[#6](-[#7](-[#6]-[#6]-[#7,#6])-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6])-[#9])-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5293, 2005\n",
      "Mean nAts 29.9, mcs nAts: 24\n",
      "[#17,#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#7]:[#7]:2)-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3439, 2005\n",
      "Mean nAts 32.7, mcs nAts: 30\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#16]:1)-[#6](=[#8])-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6](=[#8])-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 53, 5576, 2010\n",
      "Mean nAts 40.4, mcs nAts: 33\n",
      "[#6]-[#8]-[#6]-[#6]1-[#8]-[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6](-[#6]-1-[#8])-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#6,#7]-,=[#6,#7]-,=[#7,#6]\n",
      "----------------\n",
      "J. Med. Chem., 49, 6569, 2006\n",
      "Mean nAts 31.5, mcs nAts: 27\n",
      "[#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6](=[#8]):[#6]2:[#6](:[#8]:1):[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5066, 2006\n",
      "Mean nAts 36.7, mcs nAts: 29\n",
      "[#6,#9]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#7]-[#6](=[#8])-[#7,#6]-,=[#6])-[#6](=[#8])-[#7]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4274, 2009\n",
      "Mean nAts 36.4, mcs nAts: 26\n",
      "[#8,#7]=,-[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#7](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-,=[#7,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7365, 2010\n",
      "Mean nAts 40.1, mcs nAts: 35\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6,#7]-[#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7,#6]-[#6](-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5075, 2004\n",
      "Mean nAts 33.8, mcs nAts: 17\n",
      "[#6,#7]-[#7,#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3674, 2006\n",
      "Mean nAts 39.6, mcs nAts: 27\n",
      "[#6,#7]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6](:[#6]:[#6]:2:[#7]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 3896, 2007\n",
      "Mean nAts 40.1, mcs nAts: 35\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6,#7]-[#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7,#6]-[#6](-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3668, 2006\n",
      "Mean nAts 38.7, mcs nAts: 31\n",
      "[#6,#16]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6,#7,#8]-[#6,#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4589, 2009\n",
      "Mean nAts 30.7, mcs nAts: 26\n",
      "[#6]-[#6]1:[#6]:[#7]2:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]3:[#6,#7]:[#6,#7]:[#6](:[#6,#7]:[#6,#7]:3)-[#6]3:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6,#7]:3)-[#6,#8,#9,#16,#17]):[#6]:[#6]:[#6]:2:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5207, 2006\n",
      "Mean nAts 34.7, mcs nAts: 14\n",
      "[#7]-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6]:2-[#6]-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 5539, 2011\n",
      "Mean nAts 31.8, mcs nAts: 28\n",
      "[#7]-[#6]-[#6]1=,-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#8,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 883, 2011\n",
      "Mean nAts 30.4, mcs nAts: 24\n",
      "[#6]-[#6]-[#8,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6]:[#6](:[#6]:[#6]:1=[#8])-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 427, 2012\n",
      "Mean nAts 37.7, mcs nAts: 36\n",
      "[#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#6]:1=[#8]):,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2\n",
      "----------------\n",
      "J. Med. Chem., 49, 7095, 2006\n",
      "Mean nAts 35.2, mcs nAts: 29\n",
      "[#8]=[#6]1:[#6]2:[#16]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#17,#6,#8,#9,#35]):[#6]:[#6]:2:[#7]:[#6]:[#7]:1-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):,-[#6,#7,#8]:,-[#6]:,-[#6](:,-[#7,#8]:,-2)-[#6]-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4174, 2005\n",
      "Mean nAts 32.2, mcs nAts: 26\n",
      "[#8,#6,#17]-[#6]1:[#6]:[#6,#7]:[#6](:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#16,#6]=,-[#8,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4450, 2006\n",
      "Mean nAts 40.5, mcs nAts: 32\n",
      "[#6]-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#7](-[#6])-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#6,#7,#8,#16]-,#[#9,#6,#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5445, 2006\n",
      "Mean nAts 28.9, mcs nAts: 11\n",
      "[#8,#7,#9]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5186, 2009\n",
      "Mean nAts 30.9, mcs nAts: 26\n",
      "[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6,#7]:1)-[#6]-[#6,#8]-[#7]1:[#6]:[#6]:[#6](:[#6]:[#6]:1=[#8])-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2365, 2007\n",
      "Mean nAts 37.6, mcs nAts: 33\n",
      "[#8,#7]-[#7,#6]=,-[#6]-[#6,#7]-[#8,#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](=[#8]):[#6]2:[#6](:[#8]:1):[#6]:[#6](:[#6]:[#6]:2)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1070, 2006\n",
      "Mean nAts 33.9, mcs nAts: 17\n",
      "[#6]-[#6]1:[#6]:[#6](-[#7]):[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#7]-[#6](=[#8])-[#6,#7]=,-[#6,#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3701, 2005\n",
      "Mean nAts 30.2, mcs nAts: 18\n",
      "[#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6,#7])-,=[#7,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3696, 2005\n",
      "Mean nAts 35.2, mcs nAts: 30\n",
      "[#8]=[#6](-[#7]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]2:,=[#6]:,-[#6]:,=[#6]:,-[#7,#6]:,-[#6]:,-2)-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#17,#6,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 6261, 2011\n",
      "Mean nAts 31.8, mcs nAts: 27\n",
      "[#6,#8](-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-2\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Dopamine D2 receptor Homo sapiens\n",
      "\t\t 21 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 7291, 2008\n",
      "Mean nAts 26.1, mcs nAts: 10\n",
      "[#6](-[#6]-[#6,#8])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#9,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2621, 2011\n",
      "Mean nAts 31.3, mcs nAts: 28\n",
      "[#8]=[#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#7]-,:1):[#7,#6]:[#6](:[#6,#7]:[#6]:2)-[#8,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2983, 2010\n",
      "Mean nAts 32.4, mcs nAts: 13\n",
      "[#6]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 3502, 2011\n",
      "Mean nAts 31.0, mcs nAts: 17\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#8,#6]-[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 4448, 2009\n",
      "Mean nAts 27.1, mcs nAts: 23\n",
      "[#6]1:[#7]:[#6]2:[#6,#7]:[#6,#7](-[#6,#7]):[#7,#6]:[#6,#7]:[#7,#6]:2:[#6]:1-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 4135, 2007\n",
      "Mean nAts 34.1, mcs nAts: 26\n",
      "[#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 49, 3938, 2006\n",
      "Mean nAts 26.3, mcs nAts: 23\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6](:[#6,#7]:[#7,#6]1:[#7,#6]:[#6](-[#17,#6,#7,#35,#53]):[#6]:[#6]:[#6]:1):[#7,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1934, 2006\n",
      "Mean nAts 34.0, mcs nAts: 25\n",
      "[#7,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#7]:[#6](:[#7,#6]:1)-[#6](-[#6,#9])(-[#6,#9])-[#6,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3930, 2007\n",
      "Mean nAts 36.4, mcs nAts: 31\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#8,#17]\n",
      "----------------\n",
      "J. Med. Chem., 51, 101, 2008\n",
      "Mean nAts 28.4, mcs nAts: 18\n",
      "[#6]-[#6,#7]-[#6,#7]-[#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 5291, 2010\n",
      "Mean nAts 26.1, mcs nAts: 17\n",
      "[#8,#6,#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6,#7,#8,#16]:[#6](:[#16,#6,#8]:1):[#6,#7]:[#6]:[#6]:[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 12, 619, 2002\n",
      "Mean nAts 32.7, mcs nAts: 18\n",
      "[#6,#7]-,#[#6]-[#6]-[#7](-[#6]-[#6]-[#7,#6])-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6]:[#6](:[#6]:[#6]:2)-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4543, 2006\n",
      "Mean nAts 34.1, mcs nAts: 27\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#7]1-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#7]=[#6](-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6])-[#17]\n",
      "----------------\n",
      "J. Med. Chem., 49, 5093, 2006\n",
      "Mean nAts 25.4, mcs nAts: 24\n",
      "[#6]-[#8]-[#7]=[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3292, 2007\n",
      "Mean nAts 34.7, mcs nAts: 32\n",
      "[#6]-[#6](-[#6])-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 490, 2006\n",
      "Mean nAts 34.0, mcs nAts: 32\n",
      "[#6,#9]-[#6](-[#6,#9])(-[#6,#9])-[#6]1:[#7,#6]:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]-[#6]-[#7]2:[#6]:[#6]:[#6](:[#7]:[#6]:2=[#8])=,-[#8,#6,#7]):[#6,#7]:[#6](:[#7]:1)-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]\n",
      "----------------\n",
      "J. Med. Chem., 51, 6095, 2008\n",
      "Mean nAts 27.0, mcs nAts: 25\n",
      "[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]1:[#6,#7]:[#8,#7,#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 4847, 2004\n",
      "Mean nAts 27.3, mcs nAts: 21\n",
      "[#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 7258, 2007\n",
      "Mean nAts 34.8, mcs nAts: 11\n",
      "[#6](-[#6,#7]=,-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6]-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 658, 2006\n",
      "Mean nAts 36.1, mcs nAts: 25\n",
      "[#6,#9]-[#6](-[#6,#9])(-[#6,#9])-[#6]1:[#7,#6]:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-,=[#6]-[#6]-[#7]):[#6,#7]:[#6](:[#7]:1)-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 20, 1291, 2012\n",
      "Mean nAts 23.9, mcs nAts: 23\n",
      "[#9]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6,#16]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#7,#6]:[#6]:[#6]:[#6]:[#7,#6]:1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Matrix metalloproteinase-2 Homo sapiens\n",
      "\t\t 10 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4961, 2005\n",
      "Mean nAts 38.7, mcs nAts: 35\n",
      "[#6,#8]-,=[#6](-[#6,#8])-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]1:[#6,#8]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8,#6]:1)-[#6](=,-[#8,#6])-[#8,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2820, 2011\n",
      "Mean nAts 37.8, mcs nAts: 28\n",
      "[#6,#7]1:[#7,#6]:[#7,#6]:[#7,#6,#8]:[#7,#6]:1-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#6]1(-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#8,#7]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3096, 2006\n",
      "Mean nAts 34.1, mcs nAts: 25\n",
      "[#8]=[#6](-[#8,#7])-[#6](-[#6]-[#6]-[#7]1-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1=[#8])-[#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 3445, 2009\n",
      "Mean nAts 36.1, mcs nAts: 34\n",
      "[#6]-[#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16](=[#8])(=[#8])-[#6]2(-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6,#16]=,-[#8,#6,#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 8, 2087, 1998\n",
      "Mean nAts 33.5, mcs nAts: 6\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 11, 1009, 2001\n",
      "Mean nAts 27.8, mcs nAts: 12\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1376, 2011\n",
      "Mean nAts 37.3, mcs nAts: 35\n",
      "[#6,#7]1:[#6]:[#6]:[#6](:[#6](:[#6,#7]:1)-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#16](=[#8])(=[#8])-[#6]-[#6](-[#6])(-[#6]-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6](:[#6]:[#7]:1)-[#9])-[#7](-[#8])-[#6]=[#8])-[#6,#17,#35]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 6170, 2007\n",
      "Mean nAts 30.8, mcs nAts: 27\n",
      "[#6]-[#6]#[#6]-[#6]-[#7,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#6]-[#6]1(-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6,#16]=,-[#8,#6]\n",
      "----------------\n",
      "J. Med. Chem., 45, 4954, 2002\n",
      "Mean nAts 26.4, mcs nAts: 22\n",
      "[#6]-[#6]-[#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1(-[#6])-[#6]-[#6]-[#7](-[#6]-1=[#8])-[#6](-[#6])-[#6](=[#8])-[#7]-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 791, 2007\n",
      "Mean nAts 25.6, mcs nAts: 23\n",
      "[#6]-[#6](-[#6])-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6,#15](=[#8])-[#8]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t MAP kinase p38 alpha Homo sapiens\n",
      "\t\t 18 papers\n",
      "----------------\n",
      "J. Med. Chem., 53, 2973, 2010\n",
      "Mean nAts 31.9, mcs nAts: 29\n",
      "[#6,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6]:[#6]2:[#6]:[#7]:[#7](:[#6]:2:[#7](:[#6]:1=[#8])-[#6])-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#6,#9,#17])-[#6](=[#8])-[#7]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 64, 2006\n",
      "Mean nAts 37.4, mcs nAts: 32\n",
      "[#7]1-[#6]-[#6]-,=[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]2:[#6](:[#6](:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#9]):[#6]:[#6]:[#6](:[#7]:2-[#6]1:[#6](-[#17,#9]):[#6]:[#6]:[#6]:[#6]:1-[#17,#9])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5095, 2005\n",
      "Mean nAts 27.6, mcs nAts: 23\n",
      "[#17,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#7]:[#6]:2-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 6872, 2009\n",
      "Mean nAts 31.2, mcs nAts: 27\n",
      "[#6]-[#7]1:[#6](=[#8]):[#6](-[#6]2:[#6](-[#17]):[#6]:[#6]:[#6]:[#6]:2-[#17]):[#6]:[#6]2:[#6]:1:[#7]:[#6](:[#7]:[#6]:2)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 292, 2010\n",
      "Mean nAts 39.6, mcs nAts: 38\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#7](:[#6]:[#7]:2)-[#6])=[#8])-[#7]-[#6](=[#8])-[#6]1:[#7]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Eur. J. Med. Chem., 48, 1, 2012\n",
      "Mean nAts 34.8, mcs nAts: 21\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6](-[#6]):[#6]:[#6]:1-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#16]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2652, 2008\n",
      "Mean nAts 29.7, mcs nAts: 27\n",
      "[#6,#8]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#7]:[#7]:2-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1)-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 46, 4669, 2003\n",
      "Mean nAts 33.6, mcs nAts: 21\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6]:[#6]:[#6]:1-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 5270, 2011\n",
      "Mean nAts 28.6, mcs nAts: 23\n",
      "[#6]-[#6]1:[#6,#7]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6,#7]:[#7,#6]:[#6]2:[#6](:[#6,#7]:1)-[#7]-[#6](-[#6]-2)=[#8])-[#6](=[#8])-[#7]-[#6]1-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5383, 2004\n",
      "Mean nAts 35.5, mcs nAts: 28\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6,#7]:[#6](:[#6]:2)-[#7,#6]):[#6]:[#6]:[#6]:1-[#6,#9,#17,#35]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5389, 2004\n",
      "Mean nAts 35.1, mcs nAts: 24\n",
      "[#6]-[#8,#7,#16]-[#6](:[#6,#7]:[#6]:[#6,#7]:[#6]-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1):[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 4633, 2011\n",
      "Mean nAts 32.5, mcs nAts: 25\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#6]1:[#6]:[#7]2:[#7]:[#6]:[#7]:[#6](:[#6]:2:[#6]:1-[#6])-[#7]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6]:[#6]:[#6]:1-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6886, 2010\n",
      "Mean nAts 30.2, mcs nAts: 26\n",
      "[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#7]:[#7](:[#6]:1-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 4130, 2011\n",
      "Mean nAts 27.2, mcs nAts: 20\n",
      "[#6,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#7]-[#6](-[#6]-2)=[#8])-[#6](-,=[#7,#8])=,-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 5019, 2007\n",
      "Mean nAts 31.4, mcs nAts: 24\n",
      "[#8]=[#6](-[#6]1:[#6]:[#6,#7]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#6,#7]2:[#6](-[#6]-1):[#6]:[#7]:[#7,#6]:2-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4724, 2009\n",
      "Mean nAts 32.4, mcs nAts: 29\n",
      "[#8,#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7,#8]-[#6]1:[#6]:[#6](=[#8]):[#7](:[#6]2:[#6]:1:[#6]:[#7]:[#7]:2-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6])-[#6,#9,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4433, 2008\n",
      "Mean nAts 33.1, mcs nAts: 25\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6])-[#6,#7]-[#7,#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 6280, 2008\n",
      "Mean nAts 28.9, mcs nAts: 23\n",
      "[#6]-[#7]-[#6]1:[#7]:[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#7]:[#7]:[#6]:2-[#6,#7,#8])-[#6,#17]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Dopamine D3 receptor Homo sapiens\n",
      "\t\t 25 papers\n",
      "----------------\n",
      "J. Med. Chem., 54, 1555, 2011\n",
      "Mean nAts 33.0, mcs nAts: 28\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-,=[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 1716, 2009\n",
      "Mean nAts 25.1, mcs nAts: 8\n",
      "[#6,#8,#17]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7,#9,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 9, 585, 1999\n",
      "Mean nAts 23.4, mcs nAts: 11\n",
      "[#6]1:[#6](:[#6,#7]:[#6]:[#6]:[#7,#6])-,:[#6,#7]:[#7,#6]:[#6]:1-[#6]-[#7,#6]\n",
      "----------------\n",
      "J. Med. Chem., 54, 3581, 2011\n",
      "Mean nAts 32.5, mcs nAts: 20\n",
      "[#8,#6]=,-[#6]-[#7]-[#6]-[#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8]\n",
      "----------------\n",
      "J. Med. Chem., 54, 2477, 2011\n",
      "Mean nAts 27.4, mcs nAts: 9\n",
      "[#6]1-,:[#6]-,:[#6]-,:[#7,#6]2:[#6](-,:[#6]-,:1):,-[#6]:,-[#6,#7]:,-[#7,#6]:,-2\n",
      "----------------\n",
      "J. Med. Chem., 49, 358, 2006\n",
      "Mean nAts 33.4, mcs nAts: 15\n",
      "[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1934, 2006\n",
      "Mean nAts 34.0, mcs nAts: 25\n",
      "[#7,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#7]:[#6](:[#7,#6]:1)-[#6](-[#6,#9])(-[#6,#9])-[#6,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 4448, 2009\n",
      "Mean nAts 27.1, mcs nAts: 23\n",
      "[#6]1:[#7]:[#6]2:[#6,#7]:[#6,#7](-[#6,#7]):[#7,#6]:[#6,#7]:[#7,#6]:2:[#6]:1-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 44, 3391, 2001\n",
      "Mean nAts 31.9, mcs nAts: 13\n",
      "[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 5811, 2007\n",
      "Mean nAts 28.5, mcs nAts: 17\n",
      "[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 5291, 2010\n",
      "Mean nAts 26.1, mcs nAts: 17\n",
      "[#8,#6,#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6,#7,#8,#16]:[#6](:[#16,#6,#8]:1):[#6,#7]:[#6]:[#6]:[#6]\n",
      "----------------\n",
      "J. Med. Chem., 51, 6095, 2008\n",
      "Mean nAts 27.0, mcs nAts: 25\n",
      "[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]1:[#6,#7]:[#8,#7,#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 7258, 2007\n",
      "Mean nAts 34.8, mcs nAts: 11\n",
      "[#6](-[#6,#7]=,-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6]-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 2955, 2006\n",
      "Mean nAts 24.2, mcs nAts: 24\n",
      "[#6,#7]1:[#7,#6]:[#7,#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#7,#6]:2):[#6]:[#6]:1-[#6]-[#7]1-[#6]-[#6]-,=[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6,#7]:1\n",
      "----------------\n",
      "ACS Med. Chem. Lett., 2, 189, 2011\n",
      "Mean nAts 23.6, mcs nAts: 20\n",
      "[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]2:[#6]3-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#6]:3:[#6]:[#6]:[#6]:2)-[#8]\n",
      "----------------\n",
      "J. Med. Chem., 51, 101, 2008\n",
      "Mean nAts 28.4, mcs nAts: 18\n",
      "[#6]-[#6,#7]-[#6,#7]-[#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 53, 7219, 2010\n",
      "Mean nAts 32.1, mcs nAts: 17\n",
      "[#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 3502, 2011\n",
      "Mean nAts 31.0, mcs nAts: 17\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#8,#6]-[#6,#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 7919, 2005\n",
      "Mean nAts 30.4, mcs nAts: 26\n",
      "[#8]=[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8])-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "J. Med. Chem., 49, 3938, 2006\n",
      "Mean nAts 26.0, mcs nAts: 22\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6,#7]:2:[#7,#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 12, 619, 2002\n",
      "Mean nAts 32.7, mcs nAts: 18\n",
      "[#6,#7]#,-[#6]-[#6]-[#7](-[#6]-[#6]-[#7,#6])-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6]:[#6](:[#6]:[#6]:2)-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 7291, 2008\n",
      "Mean nAts 26.0, mcs nAts: 10\n",
      "[#6](-[#6]-[#6,#8])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#9,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 20, 1291, 2012\n",
      "Mean nAts 24.0, mcs nAts: 23\n",
      "[#9]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6,#16]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#7,#6]:[#6]:[#6]:[#6]:[#7,#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2670, 2011\n",
      "Mean nAts 31.3, mcs nAts: 19\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 658, 2006\n",
      "Mean nAts 35.9, mcs nAts: 25\n",
      "[#6,#9]-[#6](-[#6,#9])(-[#6,#9])-[#6]1:[#7,#6]:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-,=[#6]-[#6]-[#7,#6]):[#6,#7]:[#6](:[#7]:1)-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cathepsin S Homo sapiens\n",
      "\t\t 11 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4507, 2010\n",
      "Mean nAts 24.4, mcs nAts: 21\n",
      "[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6,#7]:[#6](:[#7]:1)-[#6]#[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5107, 2006\n",
      "Mean nAts 35.7, mcs nAts: 19\n",
      "[#6]-[#6](-[#6]-[#7])-[#7]-[#6](=[#8])-[#8]-[#6](-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=,-[#8,#7])-,=[#7,#8]\n",
      "----------------\n",
      "J. Med. Chem., 50, 591, 2007\n",
      "Mean nAts 30.5, mcs nAts: 21\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6](:[#7]:[#6]:1-[#7]-[#6])-[#6]#[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 5525, 2007\n",
      "Mean nAts 43.2, mcs nAts: 37\n",
      "[#6]-[#16,#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#6,#17]):[#7]:[#7]:2-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6,#7]1:[#6]:[#7,#8,#16]:[#6]2:[#6]:1:[#6,#7]:[#6,#7]:[#6,#7]:[#7,#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 5280, 2008\n",
      "Mean nAts 32.2, mcs nAts: 23\n",
      "[#6]-[#7]-[#6](=[#8])-[#6]1:[#6](-[#7,#8]-[#6]-[#6]2-[#6]-[#6]-[#6,#7]-[#6]-[#6]-2):[#7]:[#6](:[#7]:[#6]:1-[#8,#7]-[#6]-[#6])-[#6]#[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1975, 2006\n",
      "Mean nAts 35.3, mcs nAts: 24\n",
      "[#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6,#8])-[#6](-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2370, 2010\n",
      "Mean nAts 41.2, mcs nAts: 33\n",
      "[#6]-[#16](=[#8])(=[#8])-[#7,#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6](-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16]-[#6]-[#6]-[#8,#6,#7])-[#17,#6]):[#7]:[#7]:2-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#8,#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2379, 2010\n",
      "Mean nAts 45.2, mcs nAts: 34\n",
      "[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6](-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16]-[#6]-[#6](=,-[#8,#7])-,=[#7,#8])-[#6](-[#9])(-[#9])-[#9]):[#7]:[#7]:2-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2375, 2010\n",
      "Mean nAts 43.0, mcs nAts: 40\n",
      "[#6,#7,#8]-,=[#16,#6](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6](-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-1)-[#6](-[#9])(-[#9])-[#9]):[#7]:[#7]:2-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 2209, 2006\n",
      "Mean nAts 42.6, mcs nAts: 36\n",
      "[#8]=[#6]1-[#6,#7,#8]-[#8,#6]-[#6]2:[#6](-[#7]-1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7]1:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#6,#35]):[#6]3:[#6]:1-[#6]-[#6]-[#7]-[#6]-3):[#6,#7]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 6131, 2009\n",
      "Mean nAts 38.4, mcs nAts: 31\n",
      "[#6]-[#6]#[#6]-[#6]1:[#6]:[#6](-[#6]2:[#7]:[#7](-[#6]-[#6]-[#6]-[#7]3-[#6]-[#6]-[#8]-[#6]-[#6]-3):[#6]3:[#6]:2-[#6]-[#7](-[#16,#6](=,-[#8,#6])=,-[#8,#6])-[#6]-[#6]-3):[#6]:[#6]:[#6]:1-[#17]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Carbonic anhydrase II Homo sapiens\n",
      "\t\t 33 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2521, 2011\n",
      "Mean nAts 11.4, mcs nAts: 5\n",
      "[#6,#7,#8]-[#6,#7,#8]-[#6](-,=[#6,#8])-,=[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 1847, 2011\n",
      "Mean nAts 16.3, mcs nAts: 6\n",
      "[#7,#6,#8,#16]-,=[#6]1:,-[#7,#16]:,-[#7,#6,#8,#16]:,-[#6,#7]:[#16,#6,#7]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 3170, 2009\n",
      "Mean nAts 19.5, mcs nAts: 10\n",
      "[#6,#7,#8]-,=[#7,#6,#16]-[#6,#7,#8]-[#6,#7]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 4336, 2007\n",
      "Mean nAts 22.5, mcs nAts: 9\n",
      "[#6,#7,#16]-,=[#6,#7,#8]-,=[#8,#6,#7]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#7,#16]:,-[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7413, 2010\n",
      "Mean nAts 22.4, mcs nAts: 12\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 1381, 2011\n",
      "Mean nAts 10.8, mcs nAts: 8\n",
      "[#6,#8]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 2159, 2010\n",
      "Mean nAts 13.4, mcs nAts: 7\n",
      "[#8,#6]-,=[#6]1:[#6,#8]:[#6]:[#6,#8]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5192, 2005\n",
      "Mean nAts 16.5, mcs nAts: 11\n",
      "[#7]-[#16](=[#8])(=[#8])-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 49, 6539, 2006\n",
      "Mean nAts 31.6, mcs nAts: 15\n",
      "[#6]-[#6]-[#8,#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5775, 2004\n",
      "Mean nAts 24.6, mcs nAts: 13\n",
      "[#6,#8]-,=[#6,#16](=[#8])-[#7]-,=[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 54, 6905, 2011\n",
      "Mean nAts 33.9, mcs nAts: 28\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 6332, 2008\n",
      "Mean nAts 14.5, mcs nAts: 10\n",
      "[#7]-[#16](=[#8])(=[#8])-[#7,#6]-[#6]1:[#7]:[#7,#8]:[#6]:[#16,#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 49, 5544, 2006\n",
      "Mean nAts 23.6, mcs nAts: 5\n",
      "[#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6]-,=[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 5023, 2011\n",
      "Mean nAts 19.7, mcs nAts: 9\n",
      "[#6,#16]-[#6,#7,#8]-[#8,#6,#7,#16]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16]:,-[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "J. Med. Chem., 52, 4063, 2009\n",
      "Mean nAts 32.4, mcs nAts: 22\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 5892, 2011\n",
      "Mean nAts 18.5, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 4894, 2009\n",
      "Mean nAts 19.7, mcs nAts: 10\n",
      "[#6]1:,-[#6]:,-[#6,#8]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#7,#6]-[#6,#7,#8]-[#6,#7,#16]-,=[#6,#7,#8]\n",
      "----------------\n",
      "J. Med. Chem., 53, 2913, 2010\n",
      "Mean nAts 31.8, mcs nAts: 13\n",
      "[#7,#6,#16]-[#6,#7,#8]-[#6,#8]-[#6]1:,-[#6]:,-[#6,#8]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6]\n",
      "----------------\n",
      "J. Med. Chem., 42, 2641, 1999\n",
      "Mean nAts 21.0, mcs nAts: 6\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 1149, 2005\n",
      "Mean nAts 15.3, mcs nAts: 8\n",
      "[#6]1:,-[#6,#16]:,-[#6]:,-[#6]:,-[#6](:,-[#6,#8]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4624, 2008\n",
      "Mean nAts 21.4, mcs nAts: 11\n",
      "[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 3216, 2011\n",
      "Mean nAts 26.4, mcs nAts: 10\n",
      "[#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 1651, 2007\n",
      "Mean nAts 26.2, mcs nAts: 9\n",
      "[#7,#6,#8]=,-[#7,#6,#8,#16]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16](:,-[#6]:,-[#6]:,-1)-,=[#16,#7,#8,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7392, 2010\n",
      "Mean nAts 36.3, mcs nAts: 28\n",
      "[#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#7,#6]):[#6]:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 48, 4834, 2005\n",
      "Mean nAts 29.3, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5082, 2009\n",
      "Mean nAts 13.8, mcs nAts: 11\n",
      "[#7]-[#16](=[#8])(=[#8])-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 3230, 2008\n",
      "Mean nAts 20.6, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16,#6](=,-[#8,#7])=[#8])-[#17,#7,#16]\n",
      "----------------\n",
      "Eur. J. Med. Chem., 45, 4769, 2010\n",
      "Mean nAts 38.2, mcs nAts: 34\n",
      "[#6]-[#6]-[#8]-[#6](=[#8])-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]2:[#7]:[#7]:[#6](:[#16]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 54, 3977, 2011\n",
      "Mean nAts 19.0, mcs nAts: 14\n",
      "[#6]-[#6,#7]-[#6,#7]-[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 49, 2743, 2006\n",
      "Mean nAts 21.0, mcs nAts: 17\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1-[#6]-[#6]-,:[#6](:,-[#6]-1):[#6]:[#6](-[#16](-[#7])(=[#8])=[#8]):[#6]:[#6]\n",
      "----------------\n",
      "J. Med. Chem., 54, 1481, 2011\n",
      "Mean nAts 24.9, mcs nAts: 12\n",
      "[#7,#6,#8]-[#16,#6,#8]-[#6]1-[#8]-[#6](-[#6,#8,#16])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3302, 2005\n",
      "Mean nAts 26.4, mcs nAts: 18\n",
      "[#6]-[#6]1(-[#6])-[#8]-[#5](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#7,#6,#8]-[#16,#6,#7]-[#7,#6,#16])-[#8]-[#6]-1(-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2931, 2009\n",
      "Mean nAts 32.0, mcs nAts: 23\n",
      "[#7]-[#7]-[#6](=[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Carbonic anhydrase I Homo sapiens\n",
      "\t\t 33 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4846, 2006\n",
      "Mean nAts 19.2, mcs nAts: 8\n",
      "[#7,#6,#8]-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 52, 6421, 2009\n",
      "Mean nAts 24.7, mcs nAts: 8\n",
      "[#7,#8]-[#16,#6]-[#6]1-[#8]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 710, 2011\n",
      "Mean nAts 15.8, mcs nAts: 6\n",
      "[#6]1:,-[#6,#7]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6,#7]:,-1\n",
      "----------------\n",
      "Eur. J. Med. Chem., 46, 4403, 2011\n",
      "Mean nAts 18.4, mcs nAts: 8\n",
      "[#7,#6]-[#16,#7,#8]-[#6]1:,=[#6]:,-[#6,#7]:,-,=[#6,#7]:,-[#6,#7]:,-,=[#6,#7]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 20, 1403, 2012\n",
      "Mean nAts 17.1, mcs nAts: 7\n",
      "[#7,#6,#8,#16]-[#6]1:,-[#6,#7,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 4336, 2007\n",
      "Mean nAts 22.6, mcs nAts: 9\n",
      "[#6,#7,#16]-,=[#6,#7,#8]-,=[#8,#6,#7]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7413, 2010\n",
      "Mean nAts 22.4, mcs nAts: 12\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6,#7]\n",
      "----------------\n",
      "J. Med. Chem., 49, 6539, 2006\n",
      "Mean nAts 31.4, mcs nAts: 15\n",
      "[#6]-[#6]-[#8,#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5192, 2005\n",
      "Mean nAts 16.4, mcs nAts: 11\n",
      "[#7]-[#16](=[#8])(=[#8])-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 3933, 2008\n",
      "Mean nAts 20.6, mcs nAts: 11\n",
      "[#6]1:[#6]:[#6](-[#17,#16]):[#6]:[#6]:[#6]:1-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 6332, 2008\n",
      "Mean nAts 14.5, mcs nAts: 10\n",
      "[#7]-[#16](=[#8])(=[#8])-[#7,#6]-[#6]1:[#7]:[#7,#8]:[#6]:[#16,#6]:1\n",
      "----------------\n",
      "Eur. J. Med. Chem., 45, 2396, 2010\n",
      "Mean nAts 17.4, mcs nAts: 11\n",
      "[#8,#7,#16,#17]-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3475, 2008\n",
      "Mean nAts 25.4, mcs nAts: 10\n",
      "[#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1334, 2011\n",
      "Mean nAts 21.9, mcs nAts: 9\n",
      "[#6,#7,#8]-,=[#6,#16](=[#8])-[#7,#6]-,=[#6]1:,-[#7,#6,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7]:,-1\n",
      "----------------\n",
      "J. Med. Chem., 52, 4063, 2009\n",
      "Mean nAts 32.4, mcs nAts: 22\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 2121, 2005\n",
      "Mean nAts 23.2, mcs nAts: 11\n",
      "[#7,#6,#9,#16,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 3105, 2011\n",
      "Mean nAts 25.1, mcs nAts: 12\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 5351, 2007\n",
      "Mean nAts 11.9, mcs nAts: 5\n",
      "[#7,#6]-[#6](-[#6,#7]-,=[#6,#8])-,=[#6,#7,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 20, 2266, 2012\n",
      "Mean nAts 15.4, mcs nAts: 11\n",
      "[#8,#16]=,-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#8,#6]:1):[#6,#8]:[#6]:[#6]:[#6,#8]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4624, 2008\n",
      "Mean nAts 21.4, mcs nAts: 11\n",
      "[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 3216, 2011\n",
      "Mean nAts 26.8, mcs nAts: 10\n",
      "[#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 1651, 2007\n",
      "Mean nAts 26.2, mcs nAts: 9\n",
      "[#7,#6,#8]=,-[#7,#6,#8,#16]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16](:,-[#6]:,-[#6]:,-1)-,=[#16,#7,#8,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7392, 2010\n",
      "Mean nAts 36.3, mcs nAts: 28\n",
      "[#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#7,#6]):[#6]:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 3659, 2009\n",
      "Mean nAts 25.1, mcs nAts: 24\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7](-[#6]-[#6]-2)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 4834, 2005\n",
      "Mean nAts 29.3, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5082, 2009\n",
      "Mean nAts 13.4, mcs nAts: 11\n",
      "[#7]-[#16](=[#8])(=[#8])-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 3230, 2008\n",
      "Mean nAts 20.4, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16,#6](=,-[#8,#7])=[#8])-[#17,#7,#16]\n",
      "----------------\n",
      "J. Med. Chem., 54, 3977, 2011\n",
      "Mean nAts 19.0, mcs nAts: 14\n",
      "[#6]-[#6,#7]-[#6,#7]-[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2521, 2011\n",
      "Mean nAts 11.4, mcs nAts: 5\n",
      "[#6,#7,#8]-[#6,#7,#8]-[#6](-,=[#6,#8])-,=[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4862, 2005\n",
      "Mean nAts 20.2, mcs nAts: 9\n",
      "[#6,#7]-,=[#16,#6,#7]-[#7,#6,#8,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 53, 335, 2010\n",
      "Mean nAts 14.9, mcs nAts: 12\n",
      "[#6,#7,#8]-,=[#8,#6]-[#6]1:[#6]:[#6,#8]:[#6]2:[#6](:[#6]:1):[#8,#6]:[#6]:[#6]:[#6,#8]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 1172, 2011\n",
      "Mean nAts 17.3, mcs nAts: 7\n",
      "[#7,#6,#8,#16]-[#6]1:,-[#6,#7,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2931, 2009\n",
      "Mean nAts 32.0, mcs nAts: 23\n",
      "[#7]-[#7]-[#6](=[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Serotonin 2a (5-HT2a) receptor Homo sapiens\n",
      "\t\t 20 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 7802, 2009\n",
      "Mean nAts 25.0, mcs nAts: 21\n",
      "[#7,#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6](:[#6]:[#7]:2)-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 3309, 2008\n",
      "Mean nAts 14.4, mcs nAts: 11\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#6]-[#6]-[#7]-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 347, 2012\n",
      "Mean nAts 20.3, mcs nAts: 18\n",
      "[#6]-[#7](-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 6058, 2006\n",
      "Mean nAts 21.0, mcs nAts: 16\n",
      "[#6]-[#6]-[#7]-[#6]1=[#7]-[#6]-[#6]-[#7]-[#6](=[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4555, 2005\n",
      "Mean nAts 16.8, mcs nAts: 13\n",
      "[#6,#7]-[#7,#6]-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6](:[#6]:[#6]:[#6]:2)-[#8,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6439, 2010\n",
      "Mean nAts 29.7, mcs nAts: 19\n",
      "[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#6,#17])-[#6,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 677, 2006\n",
      "Mean nAts 20.4, mcs nAts: 17\n",
      "[#6,#7]-[#6](-[#7,#6])-[#6]-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4560, 2005\n",
      "Mean nAts 31.9, mcs nAts: 28\n",
      "[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16,#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 7291, 2008\n",
      "Mean nAts 26.1, mcs nAts: 10\n",
      "[#6](-[#6]-[#6,#8])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#9,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3201, 2006\n",
      "Mean nAts 27.7, mcs nAts: 25\n",
      "[#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]1-[#6]-[#6]=,-[#6,#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1207, 2006\n",
      "Mean nAts 16.4, mcs nAts: 15\n",
      "[#6]-[#6]1-[#6]-[#7]-[#6]-[#6]2-[#7]-1-[#6]1:[#7,#6]:[#6](:[#6]:[#6]:[#6]:1-[#6]-2)-[#17,#6,#8,#35]\n",
      "----------------\n",
      "J. Med. Chem., 50, 1365, 2007\n",
      "Mean nAts 18.4, mcs nAts: 15\n",
      "[#8]=[#6]1-[#6]2:[#6](:[#6]:[#6]:[#6]:[#6]:2-[#8,#6,#16,#17])-[#6]2-[#7]-1-[#6]-[#6]-[#7]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 1870, 2012\n",
      "Mean nAts 27.5, mcs nAts: 19\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 1665, 2010\n",
      "Mean nAts 34.8, mcs nAts: 27\n",
      "[#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7](-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 3708, 2010\n",
      "Mean nAts 26.8, mcs nAts: 24\n",
      "[#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2643, 2007\n",
      "Mean nAts 25.2, mcs nAts: 23\n",
      "[#8]-,=[#16](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 1467, 2005\n",
      "Mean nAts 14.5, mcs nAts: 13\n",
      "[#6]-[#6]1-[#6]-[#7]-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#17,#6,#8,#9,#35,#53]\n",
      "----------------\n",
      "J. Med. Chem., 50, 4135, 2007\n",
      "Mean nAts 34.0, mcs nAts: 26\n",
      "[#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1128, 2010\n",
      "Mean nAts 16.2, mcs nAts: 11\n",
      "[#8,#6]=,-[#6]1-,:[#7,#6]-,:[#6]-,:[#7,#6]-,:[#6]2:[#6]-,:1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-2\n",
      "----------------\n",
      "J. Med. Chem., 54, 6305, 2011\n",
      "Mean nAts 36.2, mcs nAts: 33\n",
      "[#6]-[#6]1:[#7]:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#6,#17])-[#6,#17]):[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Vanilloid receptor Homo sapiens\n",
      "\t\t 4 papers\n",
      "----------------\n",
      "J. Med. Chem., 53, 3330, 2010\n",
      "Mean nAts 30.7, mcs nAts: 31\n",
      "[#9]-[#6](-[#9])(-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#7]-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6]2:[#6]:1:[#7,#6]:[#6,#7]:[#6](:[#7,#6]:2)-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4359, 2010\n",
      "Mean nAts 32.2, mcs nAts: 31\n",
      "[#9]-[#6](-[#9])(-[#9])-[#6]1:[#6]:[#6,#7]:[#6](:[#7,#6]:[#6,#7]:1)-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6]2:[#6]:1:[#6,#7]:[#6]:[#6](:[#7]:2)-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6]:[#6]:1-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 7142, 2010\n",
      "Mean nAts 41.2, mcs nAts: 33\n",
      "[#9]-[#6](-[#9])(-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]2:[#6]:1-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 1830, 2008\n",
      "Mean nAts 28.2, mcs nAts: 28\n",
      "[#8]-[#6]1:,-[#6]:,-[#6,#8]:,-[#6]2:[#6](:,-[#6]:,-1):[#6](:[#6]:[#6]:[#6]:2)-[#7]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6](-[#9])(-[#9])-[#9]):[#7]:[#6]:[#7]:1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Vascular endothelial growth factor receptor 2 Homo sapiens\n",
      "\t\t 24 papers\n",
      "----------------\n",
      "J. Med. Chem., 49, 2143, 2006\n",
      "Mean nAts 27.8, mcs nAts: 23\n",
      "[#6]-[#8,#6]-[#6,#8]-[#6]1:[#6]:[#7]2:[#7]:[#6]:[#7]:[#6](:[#6]:2:[#6]:1-[#6])-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#7]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 351, 2004\n",
      "Mean nAts 27.6, mcs nAts: 22\n",
      "[#6,#7,#8]-,=[#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:[#6]:1-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7150, 2010\n",
      "Mean nAts 34.3, mcs nAts: 28\n",
      "[#6]-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#6](:[#7]:[#6]:[#7]:2)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#7,#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 12, 3537, 2002\n",
      "Mean nAts 28.5, mcs nAts: 18\n",
      "[#6]-[#8,#6]-[#6,#7]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#7]:[#6]2:[#7](:[#6]:1):[#7]:[#6]:[#6]:2-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1440, 2006\n",
      "Mean nAts 29.2, mcs nAts: 16\n",
      "[#6]-[#7]1:[#6]:[#7]:[#6](:[#6]:1-[#6]1:[#7]:[#7]:[#6](:[#8]:1)-[#7]-[#6])-[#7]-[#6]-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 51, 3814, 2008\n",
      "Mean nAts 31.8, mcs nAts: 27\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]2=[#6](-[#6]3:[#6]:[#7]:[#6]4:[#6]:3:[#6]:[#6]:[#6]:[#6]:4)-[#6]-[#7]-[#6]-2=[#8]):[#6]:[#6](:[#6]:1-[#8]-[#6])-[#8]-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 47, 6363, 2004\n",
      "Mean nAts 24.8, mcs nAts: 20\n",
      "[#6]-[#6]1:[#6]:[#7]:[#6](:[#16]:1)-[#7]-[#6]1:[#6]:[#6](-[#6]-[#7]2-[#6]-[#6]-[#8,#6,#7]-[#6]-[#6]-2):[#6]:[#6]:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1913, 2006\n",
      "Mean nAts 30.0, mcs nAts: 26\n",
      "[#6,#7]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6]1:[#7]:[#7]:[#6](:[#8]:1)-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:[#6]:1-[#6]-[#6]-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4371, 2006\n",
      "Mean nAts 24.5, mcs nAts: 14\n",
      "[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 52, 278, 2009\n",
      "Mean nAts 28.3, mcs nAts: 21\n",
      "[#8]=[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6](:[#6]:1-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:1)-[#8,#7]\n",
      "----------------\n",
      "J. Med. Chem., 50, 4453, 2007\n",
      "Mean nAts 36.2, mcs nAts: 31\n",
      "[#8,#6]-,=[#6,#16](=,-[#8,#6])-[#7]-[#6]1:[#7,#6,#8,#16]:[#6,#7]2:[#6,#7]:[#6](-[#8,#6,#16]-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6,#7]:3)-[#7,#6]-[#6](=[#8,#16])-[#7]-[#6]3:[#6]:[#6]:[#6]:[#6](:[#6]:3)-[#35,#6,#7,#9,#16,#17]):[#6]:[#6,#7]:[#6]:2:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 3356, 2010\n",
      "Mean nAts 34.5, mcs nAts: 32\n",
      "[#6]-[#7]1:[#7]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]2:[#6](:[#6]3:[#6](:[#6]:1-[#6]-[#6]):[#7](:[#6]1:[#6]:3:[#6]:[#6](-[#6]3-[#6]-[#6]-[#6]-[#6]-[#8]-3):[#6]:[#6]:1)-[#6])-[#6]-[#7]-[#6]-2=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 2158, 2006\n",
      "Mean nAts 22.9, mcs nAts: 14\n",
      "[#6]-[#6,#7]1:[#6]:[#6]:[#6](:[#7,#6]:1)-[#6]=[#6]1-[#6](=[#8])-[#7]-[#7]=[#6]-1-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 3635, 2007\n",
      "Mean nAts 35.3, mcs nAts: 23\n",
      "[#6]-[#8,#7]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6]-[#6]):[#7]:[#6]:[#7,#6]:[#6]:2=,-[#7]-[#6]1:,=[#6]:,-[#6]:,-[#6](:,=[#6]:,-[#6]:,-1)-[#35,#8,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 13, 2973, 2003\n",
      "Mean nAts 27.1, mcs nAts: 15\n",
      "[#7,#6]-[#6]-[#6,#7]-[#7,#6]1:[#6,#8]:[#6](-[#6]2:[#6]:[#7]:[#6]:[#6](:[#6]:2)-[#6]):[#6,#7]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2106, 2011\n",
      "Mean nAts 29.6, mcs nAts: 22\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]2:[#7]:[#6]:[#7]:[#6](:[#6]:2:[#6]:[#6]:1-[#8]-[#6])-,=[#8,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#7,#35]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4266, 2006\n",
      "Mean nAts 38.0, mcs nAts: 36\n",
      "[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]:,-[#6](-,:[#6]-2):[#6](:[#7]:[#7])-[#6]1:[#6]:[#6,#16]:[#6](:[#16,#6]:1)-[#6]-[#7,#6,#8]-[#6](=[#8])-[#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 1246, 2007\n",
      "Mean nAts 28.5, mcs nAts: 26\n",
      "[#7]-[#6]1:[#7]:[#6]:[#6]:[#6]2:[#6]:1:[#6](:[#6]:[#16]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6](=[#8,#16])-[#7,#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1\n",
      "----------------\n",
      "J. Med. Chem., 43, 2310, 2000\n",
      "Mean nAts 26.8, mcs nAts: 24\n",
      "[#6,#7]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6]1:[#7]:[#7]:[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6,#7]-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1726, 2006\n",
      "Mean nAts 28.2, mcs nAts: 17\n",
      "[#8]=[#6](-[#7]-[#6]1:[#6]:[#6,#7]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7]-[#7,#6]\n",
      "----------------\n",
      "J. Med. Chem., 51, 1231, 2008\n",
      "Mean nAts 29.0, mcs nAts: 26\n",
      "[#7]-[#6]1:[#7]:[#8]:[#6]2:[#6]:1:[#6](:[#6]:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 611, 2007\n",
      "Mean nAts 37.8, mcs nAts: 28\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#7,#8]-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6,#7]:[#6]:[#7]:[#6]:[#7]:1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 627, 2007\n",
      "Mean nAts 34.4, mcs nAts: 27\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]#[#6]-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6,#7]:1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 1429, 2005\n",
      "Mean nAts 27.9, mcs nAts: 22\n",
      "[#6]-[#8,#7]-[#6](=[#8])-[#6]1:[#6]:[#7]2:[#7]:[#6]:[#7]:[#6](:[#6]:2:[#6]:1-[#6,#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cannabinoid CB1 receptor Homo sapiens\n",
      "\t\t 32 papers\n",
      "----------------\n",
      "J. Med. Chem., 51, 1904, 2008\n",
      "Mean nAts 28.4, mcs nAts: 25\n",
      "[#6]-[#6]1(-[#6])-[#6](-[#6](=[#8])-[#6]2:[#6]:[#7](-[#6]-[#6]3-[#6]-[#6]-[#8]-[#6]-[#6]-3):[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#6]-1(-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 731, 2006\n",
      "Mean nAts 29.1, mcs nAts: 26\n",
      "[#6]-[#6]-[#7](:,-[#6,#7]:,=[#7,#6]):,-[#6](:,-[#6]1:,-[#6,#7]:,-[#6,#7](:,-[#7,#6](:,=[#7,#6]:,-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 6489, 2008\n",
      "Mean nAts 28.0, mcs nAts: 27\n",
      "[#6]-[#6]1=[#6]-[#6]-[#6]2-[#6](-[#6]-1)-[#6]1:[#6](-[#8]):[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]-2(-[#6])-[#6])-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 52, 4496, 2009\n",
      "Mean nAts 31.2, mcs nAts: 28\n",
      "[#7]1-,=[#6](-[#6]2:[#6]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#17,#6,#8,#35]):[#7](:[#7]:2)-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17])-[#17])=,-[#7]-[#6](-[#6]-1(-[#6])-[#6])=[#8,#16]\n",
      "----------------\n",
      "J. Med. Chem., 51, 6970, 2008\n",
      "Mean nAts 33.8, mcs nAts: 31\n",
      "[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6]1-[#8]-[#6](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])=[#8])-[#8]-[#6](=[#8])-[#6]-[#7,#6]-[#6,#7]=,-[#8,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 673, 2007\n",
      "Mean nAts 32.0, mcs nAts: 30\n",
      "[#6]-[#6]1:[#6]2:[#6](:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#17])-[#6]-[#6]-[#7](-[#6]-2=[#8])-[#6,#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 783, 2005\n",
      "Mean nAts 38.5, mcs nAts: 34\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6](-[#8]-[#6]):[#6]:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6])-[#7]-[#6,#16](-,=[#6,#8])=,-[#8,#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2591, 2009\n",
      "Mean nAts 31.9, mcs nAts: 27\n",
      "[#6,#7]-[#6](-,=[#6,#8])-[#6]1:[#7]:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 6299, 2007\n",
      "Mean nAts 27.4, mcs nAts: 22\n",
      "[#6]-[#6]1:[#6](-[#6](-[#6])(-[#6])-[#6]):[#16]:[#6](:[#7]:1-[#6]-[#6])=[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#35,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 547, 2012\n",
      "Mean nAts 32.2, mcs nAts: 24\n",
      "[#6]-[#6](-[#6])(-[#6])-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#16](=,-[#8,#6])(=[#8])-,=[#6,#8]):[#6]:[#6]:[#6]:2:[#7]:1-[#6]-[#6]1-[#6]-[#6]-[#7,#8,#16]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 608, 2010\n",
      "Mean nAts 34.9, mcs nAts: 21\n",
      "[#8,#6,#7]=,-[#16](=[#8])(-,=[#7,#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#9])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 645, 2005\n",
      "Mean nAts 32.1, mcs nAts: 23\n",
      "[#6,#7]-[#7,#6,#8]-[#6,#8]-[#6]1:[#6,#7]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17,#7,#9]):[#6](:[#7,#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#8,#9]\n",
      "----------------\n",
      "J. Med. Chem., 52, 3001, 2009\n",
      "Mean nAts 24.0, mcs nAts: 22\n",
      "[#6]-[#6]-,=[#6]-[#6]-[#6]-,=[#6]-[#6]-,=[#6]-,=[#6]-[#6]-[#6]-,=[#6]-[#6]-[#6]-[#6]-[#6](=[#8])-[#7]-[#6]1-[#6]-[#6]-1-[#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 7343, 2005\n",
      "Mean nAts 30.5, mcs nAts: 16\n",
      "[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7,#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 7510, 2008\n",
      "Mean nAts 29.9, mcs nAts: 24\n",
      "[#6](-[#7,#6]-[#6,#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1448, 2010\n",
      "Mean nAts 31.9, mcs nAts: 27\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#6]1:[#8]:[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3-[#17]):[#6](:[#6]:[#6]:2:[#6]:1-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1278, 2010\n",
      "Mean nAts 30.6, mcs nAts: 23\n",
      "[#7,#6,#8]-,=[#6,#16]-[#6]1-[#6]-[#6]-[#6](-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4794, 2005\n",
      "Mean nAts 30.8, mcs nAts: 26\n",
      "[#6]-[#7]=,-[#6](-,=[#7]-[#16](=,-[#8,#7])(=[#8])-,=[#7,#6,#8])-[#7]1-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2)-[#6](=[#7]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2706, 2007\n",
      "Mean nAts 29.7, mcs nAts: 27\n",
      "[#8]=[#6](-[#7]-[#6,#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#7,#6](-[#6]2:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-2)-[#17,#6,#8,#9,#35]):[#6,#7](:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3652, 2007\n",
      "Mean nAts 24.7, mcs nAts: 21\n",
      "[#6]-[#6,#7,#8]-[#6]-[#6]-[#6]-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8,#6,#7])-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 5397, 2008\n",
      "Mean nAts 34.0, mcs nAts: 26\n",
      "[#6]-[#6]#,-,=[#6]-[#6]1:[#6]:[#6]:[#6](:[#16]:1)-[#6]1:[#6](-[#6]):[#6](-[#6](=[#8])-[#7]-[#6,#7]):[#7]:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17]\n",
      "----------------\n",
      "J. Med. Chem., 48, 7486, 2005\n",
      "Mean nAts 26.7, mcs nAts: 15\n",
      "[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#35,#53])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#35,#53]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 182, 2011\n",
      "Mean nAts 27.3, mcs nAts: 25\n",
      "[#35,#6,#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#8,#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5195, 2009\n",
      "Mean nAts 34.2, mcs nAts: 27\n",
      "[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6])(-[#6])-[#7,#8]-[#6])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]#[#7]\n",
      "----------------\n",
      "J. Med. Chem., 53, 1338, 2010\n",
      "Mean nAts 37.4, mcs nAts: 23\n",
      "[#7,#8]-,=[#6](=,-[#7]-[#16,#6]-,=[#6,#8])-[#7,#6]1-,:[#6,#7]-,:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,:[#6,#7](=,:[#7,#6]-,:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 5549, 2009\n",
      "Mean nAts 31.5, mcs nAts: 22\n",
      "[#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]):[#7]:[#7](:[#6]:1-[#7]1:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 26, 2010\n",
      "Mean nAts 34.1, mcs nAts: 25\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#17]):[#6](:[#6]:1-[#6]-[#6]#[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3695, 2008\n",
      "Mean nAts 32.6, mcs nAts: 26\n",
      "[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#6,#7](=,-[#8,#6])-[#7,#6](-,=[#6,#8])-[#6,#7]):[#6]:[#6]:[#6]:2:[#7]:1-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 309, 2009\n",
      "Mean nAts 26.8, mcs nAts: 17\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#7,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3925, 2007\n",
      "Mean nAts 25.1, mcs nAts: 22\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]=[#6]1-[#16]-[#6]-[#6]2(-[#6]-[#7]-1-[#6](=[#16])-[#16]-[#6])-[#6]-[#6]-[#6]-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2830, 2008\n",
      "Mean nAts 27.5, mcs nAts: 20\n",
      "[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1)-[#35,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 453, 2010\n",
      "Mean nAts 35.5, mcs nAts: 25\n",
      "[#7]#,-,=[#6]-[#6]-[#6]1:[#6](-[#6](=,-[#8,#7])-,=[#7,#8]):[#7]:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Carbonic anhydrase IX Homo sapiens\n",
      "\t\t 24 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 4201, 2007\n",
      "Mean nAts 18.1, mcs nAts: 8\n",
      "[#6,#8]1:,-[#6]:,-[#6,#16]:,-[#6]:,-[#6,#16]:,-[#6,#7]:,-1-[#16,#6,#7,#8]=,-[#8,#6,#7]\n",
      "----------------\n",
      "J. Med. Chem., 52, 6421, 2009\n",
      "Mean nAts 24.7, mcs nAts: 8\n",
      "[#7,#8]-[#16,#6]-[#6]1-[#8]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 4447, 2011\n",
      "Mean nAts 21.9, mcs nAts: 14\n",
      "[#6]-[#6]1-[#8]-[#6](-[#7]-[#16](-[#7])(=[#8])=[#8])-[#6]-[#6](-[#6]-1-[#8])-[#8]\n",
      "----------------\n",
      "J. Med. Chem., 52, 646, 2009\n",
      "Mean nAts 15.9, mcs nAts: 8\n",
      "[#6,#8]1:,-[#6]:,-[#6,#7,#16]:,-[#6]:,-[#6,#7,#16]:,-[#6,#7]:,-1-[#16,#6,#7,#8]=,-[#8,#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 1381, 2011\n",
      "Mean nAts 10.7, mcs nAts: 8\n",
      "[#6,#8]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Eur. J. Med. Chem., 46, 4403, 2011\n",
      "Mean nAts 18.5, mcs nAts: 10\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:,=[#6]:,-[#6,#7]:,=[#6]:,-[#6,#7]:,-[#6]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5192, 2005\n",
      "Mean nAts 16.4, mcs nAts: 11\n",
      "[#7]-[#16](=[#8])(=[#8])-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 48, 5721, 2005\n",
      "Mean nAts 24.9, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6](-[#16,#6](=,-[#8,#7])=[#8]):[#6]:[#6]:[#6]:1-[#8,#6,#7,#9,#16]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 367, 2005\n",
      "Mean nAts 19.7, mcs nAts: 8\n",
      "[#6,#7,#8,#16]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7,#8]-[#7,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3828, 2005\n",
      "Mean nAts 14.8, mcs nAts: 8\n",
      "[#6,#8]1:,-[#6]:,-[#6,#7,#16]:,-[#6]:,-[#6,#7,#16]:,-[#6,#7]:,-1-[#16,#6,#7,#8]=,-[#8,#6,#7]\n",
      "----------------\n",
      "J. Med. Chem., 50, 1651, 2007\n",
      "Mean nAts 26.2, mcs nAts: 9\n",
      "[#7,#6,#8]=,-[#7,#6,#8,#16]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16](:,-[#6]:,-[#6]:,-1)-,=[#16,#7,#8,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3096, 2005\n",
      "Mean nAts 23.6, mcs nAts: 11\n",
      "[#7,#9]-[#16,#6](=,-[#8,#9])(=,-[#8,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16]\n",
      "----------------\n",
      "J. Med. Chem., 50, 381, 2007\n",
      "Mean nAts 15.5, mcs nAts: 8\n",
      "[#6,#7,#16]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5427, 2004\n",
      "Mean nAts 19.4, mcs nAts: 11\n",
      "[#7,#6,#16,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 1538, 2007\n",
      "Mean nAts 25.9, mcs nAts: 8\n",
      "[#7,#6]-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2975, 2011\n",
      "Mean nAts 27.5, mcs nAts: 11\n",
      "[#7,#6,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "J. Med. Chem., 54, 1896, 2011\n",
      "Mean nAts 23.0, mcs nAts: 20\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 7392, 2010\n",
      "Mean nAts 36.3, mcs nAts: 28\n",
      "[#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#7,#6]):[#6]:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 3659, 2009\n",
      "Mean nAts 25.1, mcs nAts: 24\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7](-[#6]-[#6]-2)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Eur. J. Med. Chem., 45, 3656, 2010\n",
      "Mean nAts 19.6, mcs nAts: 10\n",
      "[#7,#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "J. Med. Chem., 48, 4834, 2005\n",
      "Mean nAts 29.3, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2567, 2008\n",
      "Mean nAts 19.6, mcs nAts: 8\n",
      "[#7,#6,#9]-[#16,#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 553, 2009\n",
      "Mean nAts 21.8, mcs nAts: 10\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2931, 2009\n",
      "Mean nAts 32.0, mcs nAts: 23\n",
      "[#7]-[#7]-[#6](=[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Glucocorticoid receptor Homo sapiens\n",
      "\t\t 6 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 168, 2011\n",
      "Mean nAts 26.0, mcs nAts: 25\n",
      "[#6]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]3:[#6]:2:[#7]:[#6]:[#6]:3):[#6](:[#6]2:[#6]:1-[#7]-[#6](-[#6])(-[#6])-[#6](-[#6]-2-[#6])-,=[#8])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2531, 2007\n",
      "Mean nAts 37.9, mcs nAts: 32\n",
      "[#6]-[#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#8,#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6])-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 53, 6681, 2010\n",
      "Mean nAts 29.8, mcs nAts: 27\n",
      "[#6]-[#6](-[#6])(-[#6]-[#6](-[#8])(-[#6]-[#6]1:[#6]:[#6]2:[#6,#7]:[#6,#7]:[#7,#6]:[#6]:[#6]:2:[#7,#16]:1)-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#17]\n",
      "----------------\n",
      "J. Med. Chem., 44, 2879, 2001\n",
      "Mean nAts 31.3, mcs nAts: 30\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#6]1:[#6]:[#6]:[#6]3:[#6](:[#6]:1-[#6](-[#8]-2)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#8,#17,#35])-[#6](-[#6])=[#6]-[#6](-[#7]-3)(-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3354, 2007\n",
      "Mean nAts 30.1, mcs nAts: 17\n",
      "[#6]-[#6]1-[#6]-[#6]2:[#6]:[#7]:[#7](:[#6]:2-[#6]=[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 6086, 2006\n",
      "Mean nAts 33.4, mcs nAts: 31\n",
      "[#6]-[#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#7,#8]-[#6])-[#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Dopamine D4 receptor Homo sapiens\n",
      "\t\t 4 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 4847, 2004\n",
      "Mean nAts 27.3, mcs nAts: 21\n",
      "[#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 43, 4563, 2000\n",
      "Mean nAts 25.0, mcs nAts: 24\n",
      "[#7]#[#6]-[#6](:[#6]:[#6]:[#6]1:[#6,#7]:[#6](-[#6]-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7,#6]:[#6,#7]:1):[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 9, 585, 1999\n",
      "Mean nAts 23.4, mcs nAts: 11\n",
      "[#6]1:[#6](:[#6,#7]:[#6]:[#6]:[#7,#6])-,:[#6,#7]:[#7,#6]:[#6]:1-[#6]-[#7,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5253, 2005\n",
      "Mean nAts 28.4, mcs nAts: 21\n",
      "[#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Beta-secretase 1 Homo sapiens\n",
      "\t\t 6 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 414, 2008\n",
      "Mean nAts 41.7, mcs nAts: 32\n",
      "[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6](-[#9]):[#6]:[#6](:[#6]:1)-[#9])-[#6](-[#8,#6])-[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3635, 2006\n",
      "Mean nAts 44.2, mcs nAts: 37\n",
      "[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6](-[#6]-[#7,#8])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6](:[#6]:1)-[#7](-[#6])-[#16](-[#6])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 603, 2010\n",
      "Mean nAts 41.9, mcs nAts: 38\n",
      "[#6,#7]-[#6]1:[#6]:[#6]2:[#6]:[#6](:[#7,#6]:1)-[#8,#7]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#6](-[#7]-[#6]-2=[#8])-[#6](-[#8])-[#6]-[#7]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6](-[#6])-[#6]):[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 3313, 2008\n",
      "Mean nAts 41.6, mcs nAts: 22\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#8])-[#6]-[#7]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 630, 2010\n",
      "Mean nAts 27.7, mcs nAts: 26\n",
      "[#6]-[#7]1-[#6](-[#7])=[#7]-[#6](-[#6]-1=[#8])(-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1885, 2010\n",
      "Mean nAts 38.2, mcs nAts: 25\n",
      "[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#7](-[#6])-[#16](-[#6])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Acetylcholinesterase Homo sapiens\n",
      "\t\t 8 papers\n",
      "----------------\n",
      "J. Med. Chem., 51, 7308, 2008\n",
      "Mean nAts 42.1, mcs nAts: 18\n",
      "[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-,=[#7,#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 51, 3588, 2008\n",
      "Mean nAts 32.9, mcs nAts: 22\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6]-[#6](-[#6]-2)-[#6]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 575, 2007\n",
      "Mean nAts 32.4, mcs nAts: 22\n",
      "[#7,#6](-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#8]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:2=[#8])-[#6,#7]-[#6,#7]\n",
      "----------------\n",
      "J. Med. Chem., 37, 1996, 1994\n",
      "Mean nAts 23.5, mcs nAts: 17\n",
      "[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6,#7]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2505, 2011\n",
      "Mean nAts 27.4, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1-[#6,#7]-[#6,#7]-,=[#6]-,=[#7,#6]\n",
      "----------------\n",
      "J. Med. Chem., 49, 7540, 2006\n",
      "Mean nAts 36.8, mcs nAts: 23\n",
      "[#6,#7]-[#6,#7]-[#7,#6]-[#6,#7]-[#6]-[#6](=[#8])-[#7]-[#7]-[#6]1:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7,#6]:[#6]2:[#6]:1-[#6]-[#6]-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 5, 2077, 1995\n",
      "Mean nAts 31.1, mcs nAts: 25\n",
      "[#6,#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]1(-[#6])-[#6]-[#6]-[#7](-[#6]-1-[#7]-2-[#6])-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 52, 2724, 2009\n",
      "Mean nAts 28.4, mcs nAts: 27\n",
      "[#6]-[#6]-[#8]-[#6](=[#8])-[#6]1=[#6](-[#6])-[#7]-[#6]2:[#6](-[#6]-1-[#6]1:[#6]:[#6]:[#6,#7]:[#7,#6]:[#6]:1):[#6](:[#6]1:[#6](:[#7]:2)-[#6]-[#6]-[#6]-[#6]-1)-[#7]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t HERG Homo sapiens\n",
      "\t\t 32 papers\n",
      "----------------\n",
      "J. Med. Chem., 52, 3385, 2009\n",
      "Mean nAts 28.0, mcs nAts: 27\n",
      "[#7,#6]#,-[#6,#8]-[#6]1:[#6]:[#6]:[#7,#6]:[#6](:[#6,#7]:1)-[#6]1=[#7]-[#6](-[#6]2:[#6]:[#6]:[#6](:[#6,#7]:[#6]:2)-[#9,#8])(-[#6]2:[#6]:[#6]:[#6](:[#6,#7]:[#6]:2)-[#9])-[#6]-[#7]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6538, 2010\n",
      "Mean nAts 25.6, mcs nAts: 21\n",
      "[#7,#6]-[#6]1:[#7]:[#6]2:[#6](:[#8]:1):[#6]:[#6]:[#6]:[#6]:2-[#6](=[#8])-[#7]-[#6]1-[#6]-[#7,#6](-[#6]-[#6])-[#6,#7]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 6042, 2011\n",
      "Mean nAts 35.5, mcs nAts: 29\n",
      "[#8,#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6](-[#6]-1)-[#7]-[#6](=[#8])-[#6]-[#7]-[#6]1:,=[#7]:,-[#7,#6,#8]:,-[#6]2:[#6]:,-1:[#6]:[#6](:[#6]:[#6]:2)-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 7116, 2010\n",
      "Mean nAts 29.1, mcs nAts: 25\n",
      "[#6]-[#6](-[#6])-[#16](=[#8])(=[#8])-[#7]-[#6]1-[#6]-[#7](-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 5910, 2011\n",
      "Mean nAts 33.7, mcs nAts: 20\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]-[#6]1(-[#6]#,-[#7,#8])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:,=[#6]:,-[#6]:[#6]:,-[#6,#8]:,-[#6]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 3636, 2010\n",
      "Mean nAts 23.3, mcs nAts: 23\n",
      "[#6]-[#7]1-[#6]-[#6]2-[#6]-[#6]-1-[#6]-[#7]-2-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#6,#7]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6,#7]:[#6,#7]:[#7,#6,#8,#16]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 4083, 2011\n",
      "Mean nAts 29.9, mcs nAts: 26\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#7](-[#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#7]:2):[#6]:[#6]:[#6]:1-[#7]1:[#6]:[#7]:[#6](:[#6]:1)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4579, 2009\n",
      "Mean nAts 23.9, mcs nAts: 16\n",
      "[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](=[#8])-[#7](-[#6]1-[#6]-[#6]-[#7]-[#6]-1)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 3399, 2011\n",
      "Mean nAts 22.0, mcs nAts: 18\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#9]):[#6]:[#6]:[#6]:1-[#6]1:[#6,#7]:[#7,#6]:[#6]:[#6](:[#6,#7]:1)-[#6,#7]-[#7,#6]-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 52, 4266, 2009\n",
      "Mean nAts 28.9, mcs nAts: 8\n",
      "[#6,#7,#8]-,=,#[#6,#7,#8,#16]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7,#16]:,-[#6]-,:[#6]-,:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 3976, 2011\n",
      "Mean nAts 38.7, mcs nAts: 32\n",
      "[#8]=[#6](-[#6]1-[#6]-[#7]-[#6]-[#6]-[#6]-1(-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#9])-[#7](-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6](:[#6]:[#6]:[#6]:2)-[#9,#17,#35])-[#6]1-[#6]-[#6]-1\n",
      "----------------\n",
      "J. Med. Chem., 54, 4752, 2011\n",
      "Mean nAts 30.0, mcs nAts: 25\n",
      "[#7](-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6,#7]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](=[#8])-[#7]-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 3970, 2011\n",
      "Mean nAts 37.5, mcs nAts: 22\n",
      "[#6]-[#6]-[#7](-[#6](=[#8])-[#6]1-[#6]-[#7]-[#6]-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#7](:[#6](:[#6]:1)=[#8])-[#6])-[#6]1-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 7496, 2011\n",
      "Mean nAts 37.8, mcs nAts: 34\n",
      "[#6]-[#6](-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:,-[#6]:,-[#7]:,-[#6]2:[#6]:,-1:[#6,#7]:[#6,#7]:[#6]:[#6,#7]:2)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 53, 4028, 2010\n",
      "Mean nAts 35.5, mcs nAts: 31\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-,=[#7]-[#6]1-[#6]-[#6](-[#6])(-[#6])-[#8]-[#6]2:[#6]-1:[#6]:[#6](:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#6])-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2629, 2010\n",
      "Mean nAts 22.9, mcs nAts: 21\n",
      "[#6]-[#7](-[#6])-[#6]-[#6]-[#6]1=[#6](-[#6]-[#6]2:[#6,#7]:[#7,#6]:[#6]:[#6,#7]:[#7,#6]:2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 7399, 2011\n",
      "Mean nAts 36.8, mcs nAts: 20\n",
      "[#8]=[#6](-[#6]1-[#6]-[#7]-[#6]-[#6]-[#6]-1)-[#7](-[#6]-[#6](:[#6]:[#6]-[#17,#6]):[#6]:[#6]:[#6])-[#6]1-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2626, 2011\n",
      "Mean nAts 35.2, mcs nAts: 34\n",
      "[#6]-[#6](-[#6])-[#6]1(-[#6](=[#8])-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6,#7]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:[#6,#7]:[#7,#6]:2)-[#6]-[#6]-[#6](-[#6]-1)-[#7]-[#6]1-[#6]-[#6]-[#8]-[#6]-[#6]-1-[#8,#6]\n",
      "----------------\n",
      "J. Med. Chem., 51, 6471, 2008\n",
      "Mean nAts 26.6, mcs nAts: 19\n",
      "[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 773, 2011\n",
      "Mean nAts 30.2, mcs nAts: 23\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]=[#6]-[#6]2:[#7]:[#6](-,=[#7,#8]):[#6,#7]:[#6]:[#7]:2):[#6]:[#6]:[#6]:1-[#7]1:[#6]:[#7]:[#6](:[#6]:1)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4325, 2009\n",
      "Mean nAts 27.4, mcs nAts: 25\n",
      "[#6]-[#6]-[#7]-[#6]1:[#6]:[#6](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2):[#6]:[#6](:[#7]:1)-[#6]-[#6,#16]-[#6]1:[#7]:[#6](-[#6]):[#6](:[#8,#16]:1)-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 1464, 2012\n",
      "Mean nAts 36.9, mcs nAts: 19\n",
      "[#6]-[#6]#,=[#6]-[#6]-[#7]1:[#6]2:[#6](:[#6](:[#6]:1-[#7])-[#6]#[#7]):[#7]:[#6]:[#7](:[#6]:2=[#8])-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1197, 2006\n",
      "Mean nAts 43.2, mcs nAts: 19\n",
      "[#7,#6]-[#6]1(-[#6,#7]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2)-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6,#7]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4781, 2009\n",
      "Mean nAts 40.0, mcs nAts: 34\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6])-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)(-[#6])-[#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6])-[#7,#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6,#7]-,:[#6]-,:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 1675, 2007\n",
      "Mean nAts 34.6, mcs nAts: 19\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]1:[#7]:[#8]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 53, 4803, 2010\n",
      "Mean nAts 31.8, mcs nAts: 30\n",
      "[#6]1:[#6]:[#6,#7]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3665, 2005\n",
      "Mean nAts 27.0, mcs nAts: 25\n",
      "[#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 5847, 2010\n",
      "Mean nAts 26.1, mcs nAts: 20\n",
      "[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 489, 2008\n",
      "Mean nAts 33.2, mcs nAts: 26\n",
      "[#6]1-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5507, 2006\n",
      "Mean nAts 38.0, mcs nAts: 15\n",
      "[#6,#8]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#7](=,-[#8,#16])-[#7,#6]-[#6]1:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 883, 2011\n",
      "Mean nAts 30.4, mcs nAts: 25\n",
      "[#7]-[#6]-[#6]-[#7,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6]:[#6](:[#6]:[#6]:1=[#8])-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 52, 4578, 2009\n",
      "Mean nAts 29.4, mcs nAts: 29\n",
      "[#6]-[#7]1-[#6](=[#8])-[#6]=[#6]-[#6]2(-[#6]-1-[#6]-[#6]-[#6]1-[#6]-2-[#6]-[#6]-[#6]2(-[#6]-1-[#6]-[#6](-[#6]-2-[#8])=,-[#6]-[#6]1:[#6]:[#7,#6]:[#6,#7]:[#7,#6]:[#6]:1)-[#6])-[#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens\n",
      "\t\t 15 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 4405, 2010\n",
      "Mean nAts 25.4, mcs nAts: 23\n",
      "[#8]=[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6])-[#6,#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 149, 2007\n",
      "Mean nAts 30.2, mcs nAts: 16\n",
      "[#6,#7]-[#6]-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)(-[#8,#9])-[#6]-3\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 527, 2007\n",
      "Mean nAts 29.5, mcs nAts: 27\n",
      "[#6]-[#6](-[#6])(-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)(-[#16](-,=[#7,#6,#8])(=[#8])=,-[#8,#6])-[#6]-3\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3412, 2008\n",
      "Mean nAts 22.6, mcs nAts: 18\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]1:[#7]:[#7]:[#6]2:[#7]:1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5408, 2006\n",
      "Mean nAts 29.4, mcs nAts: 13\n",
      "[#6,#8]-,=[#6](-[#8,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6,#7]:,-1)-[#17,#6])-[#6](=,-[#8,#6,#7])-,=[#7,#6,#8]\n",
      "----------------\n",
      "J. Med. Chem., 52, 5449, 2009\n",
      "Mean nAts 33.1, mcs nAts: 28\n",
      "[#6]-[#6]1-[#6]-[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#6](-[#9])(-[#9])-[#9])-[#9])-[#6]-[#6]-[#7]-1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#6,#7,#8]\n",
      "----------------\n",
      "J. Med. Chem., 54, 6050, 2011\n",
      "Mean nAts 30.3, mcs nAts: 15\n",
      "[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7](-[#6](-[#8]-1)=[#8])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3513, 2008\n",
      "Mean nAts 27.4, mcs nAts: 21\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7,#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 435, 2011\n",
      "Mean nAts 29.4, mcs nAts: 26\n",
      "[#8]=[#6](-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#6]-3)-[#6]1-[#16,#6]-[#6]-[#6]-[#7]-1-[#6,#16](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 3682, 2009\n",
      "Mean nAts 23.0, mcs nAts: 10\n",
      "[#7,#6]1-[#6]-,:[#6]-[#6]2(-[#6]-,=1)-[#6]-[#6]-[#6,#7]-[#6,#7]-,:[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 4146, 2011\n",
      "Mean nAts 26.7, mcs nAts: 12\n",
      "[#6,#7,#8,#16]-[#8,#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#7]2:[#6]:1:[#7]:[#7]:[#6]:2-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 1446, 2009\n",
      "Mean nAts 31.7, mcs nAts: 26\n",
      "[#6]-[#6](-[#8])(-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8,#6])-[#7](-[#6]1-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6,#8])-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 1522, 2009\n",
      "Mean nAts 30.9, mcs nAts: 22\n",
      "[#6]-[#6]1-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#7]-1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6])(-[#6,#8,#9])-[#6,#8,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 750, 2007\n",
      "Mean nAts 31.2, mcs nAts: 26\n",
      "[#6]-[#6](-[#6])(-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)(-[#6](=,-[#8,#7])-,=[#8,#7])-[#6]-3\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3421, 2007\n",
      "Mean nAts 27.3, mcs nAts: 24\n",
      "[#8]=[#6](-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:,-[#6](=[#8]):,-[#7,#6,#8,#16]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Norepinephrine transporter Homo sapiens\n",
      "\t\t 22 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5893, 2009\n",
      "Mean nAts 21.5, mcs nAts: 14\n",
      "[#6,#16]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6]:2)-[#6,#16]\n",
      "----------------\n",
      "J. Med. Chem., 53, 4731, 2010\n",
      "Mean nAts 18.2, mcs nAts: 16\n",
      "[#6]-[#6]1-[#7]-[#6](-[#6])(-[#6])-[#6]-[#8]-[#6]-1(-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 1795, 2008\n",
      "Mean nAts 20.3, mcs nAts: 18\n",
      "[#6]-[#7]-[#6]-[#6]1:[#6]:[#7]:[#6](:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8,#16,#17])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1434, 2011\n",
      "Mean nAts 19.3, mcs nAts: 15\n",
      "[#6,#7]-[#6](-[#7,#6])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4349, 2006\n",
      "Mean nAts 22.2, mcs nAts: 16\n",
      "[#17,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8]-[#6](-[#6,#7])-[#7,#6]1-,:[#6]-,:[#6,#7]-,:[#7,#6]-,:[#6]-,:[#6,#8]-,:1\n",
      "----------------\n",
      "J. Med. Chem., 42, 3647, 1999\n",
      "Mean nAts 31.8, mcs nAts: 23\n",
      "[#7](-[#6]-,=[#6]-[#6,#7]-[#7,#6]-[#6,#7]-,=[#6,#8])-[#6]-[#6]-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4579, 2009\n",
      "Mean nAts 22.5, mcs nAts: 16\n",
      "[#6]-[#7](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6,#8,#17])-[#6]1-[#6]-[#6]-[#7]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1434, 2006\n",
      "Mean nAts 24.1, mcs nAts: 20\n",
      "[#6]-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 4159, 2007\n",
      "Mean nAts 19.8, mcs nAts: 12\n",
      "[#6]1-,:[#6]-,:[#7,#6]-,:[#6]-,:[#6]-,:[#6]-,=,:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 49, 1766, 2006\n",
      "Mean nAts 33.8, mcs nAts: 26\n",
      "[#6](-[#6]-[#6,#8])-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 865, 2011\n",
      "Mean nAts 21.0, mcs nAts: 16\n",
      "[#9,#6,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 53, 4511, 2010\n",
      "Mean nAts 25.0, mcs nAts: 23\n",
      "[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#16]-1(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 45, 4097, 2002\n",
      "Mean nAts 21.2, mcs nAts: 16\n",
      "[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#7]-1\n",
      "----------------\n",
      "J. Med. Chem., 53, 2204, 2010\n",
      "Mean nAts 16.9, mcs nAts: 12\n",
      "[#6]-[#6](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#17,#6,#7,#8,#9,#35])-[#7]\n",
      "----------------\n",
      "J. Med. Chem., 51, 4038, 2008\n",
      "Mean nAts 22.8, mcs nAts: 16\n",
      "[#7]-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1(-[#8])-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4355, 2008\n",
      "Mean nAts 23.0, mcs nAts: 17\n",
      "[#16,#6,#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7](-[#6]1-[#6]-[#6]-[#7]-[#6]-1)-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4495, 2008\n",
      "Mean nAts 21.7, mcs nAts: 12\n",
      "[#6]-[#8]-[#6]1-,:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-,:[#6,#8,#16]-,:[#8,#6,#16]-,:[#6]-,:1\n",
      "----------------\n",
      "J. Med. Chem., 53, 2051, 2010\n",
      "Mean nAts 23.8, mcs nAts: 21\n",
      "[#6]-[#7]-[#6]-[#6](-[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5695, 2006\n",
      "Mean nAts 34.3, mcs nAts: 31\n",
      "[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9])-[#6]-[#6]-[#7]-1-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2809, 2010\n",
      "Mean nAts 22.0, mcs nAts: 11\n",
      "[#6]-[#6](-[#6]-[#7])-[#6]1(-[#8,#7])-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2022, 2007\n",
      "Mean nAts 21.7, mcs nAts: 15\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17,#6,#9])-[#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7]-[#6]-1\n",
      "----------------\n",
      "J. Med. Chem., 50, 3686, 2007\n",
      "Mean nAts 28.9, mcs nAts: 27\n",
      "[#6]-[#7]1-[#6]2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2-[#6]1:[#7]:[#6]:[#6](:[#16]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cytochrome P450 2D6 Homo sapiens\n",
      "\t\t 5 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 2647, 2005\n",
      "Mean nAts 30.7, mcs nAts: 24\n",
      "[#6]-[#7](-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 52, 5685, 2009\n",
      "Mean nAts 28.1, mcs nAts: 21\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1=,-[#6]-[#6]2(-[#6]-[#6]-[#7,#6]-[#6,#7]-[#6]-2)-[#8]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5114, 2005\n",
      "Mean nAts 32.0, mcs nAts: 19\n",
      "[#6]-[#7](-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2992, 2007\n",
      "Mean nAts 38.1, mcs nAts: 34\n",
      "[#6]-[#6](=[#8])-[#6]1:[#16]:[#6](-[#7]-[#6](=[#8])-[#7]-[#6]2-[#6]-[#6,#7,#8]-[#8,#6,#7]-[#6,#8]-[#6]-2-[#6]-[#7]2-[#6]-[#6]-[#6]-[#6](-[#6]-2)-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9]):[#7]:[#6]:1-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 54, 5283, 2011\n",
      "Mean nAts 17.8, mcs nAts: 11\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#6,#7]-[#7,#6]-[#6]-1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Histamine H3 receptor Homo sapiens\n",
      "\t\t 23 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 186, 2012\n",
      "Mean nAts 25.6, mcs nAts: 21\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6]1(-[#8]-2)-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2359, 2010\n",
      "Mean nAts 29.7, mcs nAts: 25\n",
      "[#6,#16,#17,#35]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#7](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6,#7]:,-1)-[#9,#6,#17,#35]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 5032, 2008\n",
      "Mean nAts 32.7, mcs nAts: 27\n",
      "[#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 5384, 2011\n",
      "Mean nAts 27.7, mcs nAts: 23\n",
      "[#8,#7]=,-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 3037, 2009\n",
      "Mean nAts 22.9, mcs nAts: 14\n",
      "[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#8]-[#6]-[#6]-[#8,#6]-[#6,#8]-[#6]-[#6,#8]-[#7,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 3295, 2010\n",
      "Mean nAts 27.3, mcs nAts: 19\n",
      "[#6,#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4210, 2010\n",
      "Mean nAts 26.3, mcs nAts: 16\n",
      "[#8,#6,#7]=,-[#6](-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1)-,=[#7,#6,#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 6482, 2005\n",
      "Mean nAts 26.8, mcs nAts: 19\n",
      "[#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6](-[#7,#6]-[#6,#7]):[#6]:[#6]:[#6]:2:[#8]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 1504, 2012\n",
      "Mean nAts 25.4, mcs nAts: 21\n",
      "[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7,#6]:1)-[#6]1:,-[#6,#7]:,-[#6,#7]:,-[#6](:,-[#7,#6]:,-[#7,#6]:,=1)=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6246, 2010\n",
      "Mean nAts 22.2, mcs nAts: 20\n",
      "[#6]1-[#6]-[#6](-[#8])(-[#6]-,=,#[#6]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2):[#6,#7]:[#6]:[#6]:[#6,#7])-[#6](-[#6]-[#7]-1)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2566, 2007\n",
      "Mean nAts 27.8, mcs nAts: 21\n",
      "[#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#7]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 5713, 2010\n",
      "Mean nAts 27.5, mcs nAts: 19\n",
      "[#6]-[#6](-[#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#7]:2\n",
      "----------------\n",
      "J. Med. Chem., 51, 5423, 2008\n",
      "Mean nAts 31.8, mcs nAts: 28\n",
      "[#6,#8]-,=[#6,#16](=,-[#8,#6,#7])-[#7](-[#6])-[#6]1-[#6]-[#6]-[#6]2(-[#6](-[#6]-1)=[#6]-[#6]-[#6]1-[#6]-2-[#6]-[#6]-[#6]23-[#6]-1-[#6]-[#6]-[#6]-2-[#6](-[#7](-[#6]-3)-[#6])-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6226, 2010\n",
      "Mean nAts 27.1, mcs nAts: 17\n",
      "[#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1):[#6,#7]:[#6]:[#7,#6,#16])-[#7]1-[#6]-[#6]-[#7,#6,#8]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 5101, 2008\n",
      "Mean nAts 26.8, mcs nAts: 18\n",
      "[#6]-[#7](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=[#8])-[#7,#6]1-[#6]-[#6]-[#6,#7]:,-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 39, 2008\n",
      "Mean nAts 29.7, mcs nAts: 19\n",
      "[#6]-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 1047, 2007\n",
      "Mean nAts 29.8, mcs nAts: 27\n",
      "[#6]-[#7]1-[#6]-[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#7]3-[#6]-[#6]-[#6,#8]-[#6]-[#6]-3):[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3162, 2006\n",
      "Mean nAts 25.2, mcs nAts: 19\n",
      "[#8]=[#6](-[#6](:[#6,#8]:[#6]1:[#6]:[#6](-[#17,#6,#8]):[#6]:[#6]:[#6]:1):[#8,#6])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3130, 2007\n",
      "Mean nAts 30.2, mcs nAts: 21\n",
      "[#6]-[#7](-[#6])-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6]-,#[#6,#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 6126, 2011\n",
      "Mean nAts 28.8, mcs nAts: 19\n",
      "[#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6](:,-[#7](:,-[#7]:,=1)-[#6])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 5441, 2010\n",
      "Mean nAts 20.1, mcs nAts: 18\n",
      "[#6,#7]1:[#7,#6]:[#6](-[#6]-[#6]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2):[#6,#7]:[#7,#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4232, 2009\n",
      "Mean nAts 29.2, mcs nAts: 26\n",
      "[#6]-[#6]1=,-[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#8]-[#6]-[#6]-[#6]-[#7]2-[#6]-[#6]-[#6]-[#6]-2)-[#8]-[#6]2:[#6](-[#16]-1):[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 1443, 2007\n",
      "Mean nAts 25.7, mcs nAts: 21\n",
      "[#7,#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]#[#7]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Beta-2 adrenergic receptor Homo sapiens\n",
      "\t\t 14 papers\n",
      "----------------\n",
      "J. Med. Chem., 53, 3675, 2010\n",
      "Mean nAts 27.5, mcs nAts: 12\n",
      "[#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1354, 2011\n",
      "Mean nAts 41.6, mcs nAts: 15\n",
      "[#6]1:[#6]:[#6](-[#6](-[#8])-[#6]-[#7]-[#6]-[#6]-[#6]-[#6,#7]):[#6]:[#6]:[#6]:1-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 728, 2010\n",
      "Mean nAts 24.7, mcs nAts: 21\n",
      "[#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 4290, 2007\n",
      "Mean nAts 35.2, mcs nAts: 27\n",
      "[#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#6]-[#6])-[#7]-[#6]-[#6](-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7]-[#16](-[#6])(=[#8])=[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 1061, 2005\n",
      "Mean nAts 34.1, mcs nAts: 30\n",
      "[#6,#8]-,=[#6,#16]-[#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#8])-[#6]-[#7]-[#6](-[#6])-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2-[#8]-[#16](-[#6])(=[#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 44, 1456, 2001\n",
      "Mean nAts 35.9, mcs nAts: 30\n",
      "[#6]-[#16](=[#8])(=[#8])-[#7]-[#6]1:[#6]:[#6](-[#6](-[#8])-[#6]-[#7]-[#6]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6,#7]-,=[#7,#6,#8]):[#6]:[#6]:[#6]:1-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5237, 2009\n",
      "Mean nAts 37.0, mcs nAts: 32\n",
      "[#6]-[#6](-[#6])(-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#6]-[#6]-[#7])-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#8]-[#6]-[#6](-[#7]-2)=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 5959, 2004\n",
      "Mean nAts 38.4, mcs nAts: 34\n",
      "[#6,#8]-,=[#6,#16]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#6]:2-[#6]-[#6](-[#6])-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#16]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 2903, 2007\n",
      "Mean nAts 22.6, mcs nAts: 21\n",
      "[#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1410, 2010\n",
      "Mean nAts 28.4, mcs nAts: 26\n",
      "[#6]-[#6](-[#6])(-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6]2:[#6]:1-[#8]-[#6]-[#6](-[#7]-2)=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 6640, 2009\n",
      "Mean nAts 27.7, mcs nAts: 21\n",
      "[#6]-[#6](-[#6])(-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1895, 2010\n",
      "Mean nAts 33.5, mcs nAts: 22\n",
      "[#6,#8]-,=[#6,#16](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 5510, 2009\n",
      "Mean nAts 30.6, mcs nAts: 24\n",
      "[#8,#7,#16]=,-[#6,#16](-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]-[#6]-[#6](-[#8])-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-,=[#6,#7,#8,#16]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6108, 2010\n",
      "Mean nAts 34.1, mcs nAts: 28\n",
      "[#6]-[#6]1:[#6]:[#16]:[#6]2:[#6]:1:[#6](:[#7]:[#6]:[#7]:2)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6]-[#6](-[#8])-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Serotonin 2c (5-HT2c) receptor Homo sapiens\n",
      "\t\t 15 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 3844, 2008\n",
      "Mean nAts 26.6, mcs nAts: 25\n",
      "[#8]=[#6,#16](-[#7]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1)-[#8]-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1)-[#6,#7]1:,-[#6]:,-[#7,#6,#8,#16]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4130, 2006\n",
      "Mean nAts 14.9, mcs nAts: 14\n",
      "[#6]-[#6](-[#6]1:[#6]:[#6](-[#17,#6,#35]):[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#7,#6]-[#6,#7]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 347, 2012\n",
      "Mean nAts 20.2, mcs nAts: 18\n",
      "[#6]-[#7](-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 2367, 2004\n",
      "Mean nAts 15.3, mcs nAts: 13\n",
      "[#6]-[#6](-[#7])-[#6]-[#7]1-,:[#6]-,:[#6]-,:[#6]2:[#6]-,:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 4555, 2005\n",
      "Mean nAts 17.2, mcs nAts: 13\n",
      "[#6,#7]-[#7,#6]-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6](:[#6]:[#6]:[#6]:2)-[#8,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 677, 2006\n",
      "Mean nAts 20.4, mcs nAts: 17\n",
      "[#6,#7]-[#6](-[#7,#6])-[#6]-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5346, 2009\n",
      "Mean nAts 24.4, mcs nAts: 14\n",
      "[#7,#6]1:[#6](=,-[#8,#6]):[#6,#7]:[#6](:[#7,#6]:[#6]:1-,=[#6,#8])-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1207, 2006\n",
      "Mean nAts 16.4, mcs nAts: 15\n",
      "[#6]-[#6]1-[#6]-[#7]-[#6]-[#6]2-[#7]-1-[#6]1:[#7,#6]:[#6](:[#6]:[#6]:[#6]:1-[#6]-2)-[#17,#6,#8,#35]\n",
      "----------------\n",
      "J. Med. Chem., 50, 1365, 2007\n",
      "Mean nAts 18.3, mcs nAts: 15\n",
      "[#8]=[#6]1-[#6]2:[#6](:[#6]:[#6]:[#6]:[#6]:2-[#8,#6,#9,#16,#17])-[#6]2-[#7]-1-[#6]-[#6]-[#7]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 1665, 2010\n",
      "Mean nAts 34.8, mcs nAts: 27\n",
      "[#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7](-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3665, 2005\n",
      "Mean nAts 27.0, mcs nAts: 25\n",
      "[#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2643, 2007\n",
      "Mean nAts 25.5, mcs nAts: 23\n",
      "[#8]-,=[#16](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 1467, 2005\n",
      "Mean nAts 14.5, mcs nAts: 13\n",
      "[#6]-[#6](-[#6]-[#7]-[#6]-[#6])-[#6]1:[#6]:[#6](:[#6]:[#6]:[#6]:1)-[#17,#6,#8,#9,#35,#53]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1128, 2010\n",
      "Mean nAts 16.2, mcs nAts: 11\n",
      "[#8,#6]=,-[#6]1-,:[#7,#6]-,:[#6]-,:[#7,#6]-,:[#6]2:[#6]-,:1:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 5431, 2010\n",
      "Mean nAts 23.1, mcs nAts: 8\n",
      "[#6,#9]-[#6,#8,#16]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Sphingosine 1-phosphate receptor Edg-1  Homo sapiens\n",
      "\t\t 7 papers\n",
      "----------------\n",
      "J. Med. Chem., 48, 6169, 2005\n",
      "Mean nAts 29.4, mcs nAts: 26\n",
      "[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#7,#8]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#7]2-[#6]-[#6](-[#6]-2)-[#6](=[#8])-[#8]):[#7,#8]:[#8,#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 15, 663, 2007\n",
      "Mean nAts 24.9, mcs nAts: 16\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6,#7]-[#6]-[#6](-[#7,#8])-[#6]-[#6,#8]-[#15](=[#8])(-[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 144, 2012\n",
      "Mean nAts 30.6, mcs nAts: 29\n",
      "[#6]-[#6]1=[#6](-[#6]-[#7]2-[#6]-[#6](-[#6]-2)-[#6](=[#8])-[#8])-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 1779, 2012\n",
      "Mean nAts 31.2, mcs nAts: 28\n",
      "[#7,#6]-[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#7]:[#6]:2:[#16]:1)-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 3351, 2004\n",
      "Mean nAts 24.6, mcs nAts: 23\n",
      "[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6](-[#7])-[#6]-[#6,#8]-[#6,#15,#16](=[#8])-,=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3564, 2006\n",
      "Mean nAts 31.4, mcs nAts: 14\n",
      "[#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#6](-[#6]-,=[#6,#8])-[#6]-[#7]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1390, 2011\n",
      "Mean nAts 26.5, mcs nAts: 13\n",
      "[#6]-[#7,#6]-[#6]-[#6]=,-[#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6]-,=[#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Carbonic anhydrase XII Homo sapiens\n",
      "\t\t 8 papers\n",
      "----------------\n",
      "J. Med. Chem., 53, 2913, 2010\n",
      "Mean nAts 31.6, mcs nAts: 13\n",
      "[#7,#6,#16]-[#6,#7,#8]-[#6,#8]-[#6]1:,-[#6]:,-[#6,#8]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6]\n",
      "----------------\n",
      "J. Med. Chem., 54, 6905, 2011\n",
      "Mean nAts 33.9, mcs nAts: 28\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2273, 2009\n",
      "Mean nAts 31.7, mcs nAts: 28\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 5892, 2011\n",
      "Mean nAts 18.5, mcs nAts: 10\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 54, 1896, 2011\n",
      "Mean nAts 23.0, mcs nAts: 20\n",
      "[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 9113, 2008\n",
      "Mean nAts 24.3, mcs nAts: 23\n",
      "[#7]-[#7]-[#6](=[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 20, 2392, 2012\n",
      "Mean nAts 31.0, mcs nAts: 16\n",
      "[#6,#7]-[#7]-[#6](=[#16])-[#7]-[#6]1-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2975, 2011\n",
      "Mean nAts 27.5, mcs nAts: 11\n",
      "[#7,#6,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Adenosine A1 receptor Homo sapiens\n",
      "\t\t 33 papers\n",
      "----------------\n",
      "J. Med. Chem., 54, 5205, 2011\n",
      "Mean nAts 28.2, mcs nAts: 23\n",
      "[#6]-[#6]-[#7]1-[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6](-[#6,#8]):[#7]:[#7]:3-[#6]):[#7]:[#6]:2-[#6]2-[#7](-[#6]-1=[#8])-[#6]-[#6](-[#7]=2)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 1399, 2009\n",
      "Mean nAts 32.2, mcs nAts: 28\n",
      "[#6]-[#7]-[#6]1:[#7]:[#6]:[#6]2:[#6](:[#7]:1):[#7](-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6]-,#[#6,#7]):[#6](:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#9,#8,#17])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 17, 5259, 2009\n",
      "Mean nAts 34.4, mcs nAts: 23\n",
      "[#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#8]:1)-[#7]-[#6](=[#8])-[#6]-[#6,#8]\n",
      "----------------\n",
      "J. Med. Chem., 49, 2861, 2006\n",
      "Mean nAts 25.2, mcs nAts: 21\n",
      "[#6]1:[#7]:[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#6](:[#6]:,-2:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 18, 2491, 2010\n",
      "Mean nAts 23.7, mcs nAts: 19\n",
      "[#6]-[#7]1:[#6](=[#16]):[#16]:[#6]2:[#6]:1:[#7]:[#6]:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#8]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 4061, 2007\n",
      "Mean nAts 24.3, mcs nAts: 20\n",
      "[#7,#8]-,=[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#7]:[#7](:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 5676, 2007\n",
      "Mean nAts 26.0, mcs nAts: 21\n",
      "[#7,#8]-,=[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#7]:1:[#7]:[#6](:[#6]:2=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 4449, 2008\n",
      "Mean nAts 21.7, mcs nAts: 11\n",
      "[#7]#[#6]-[#6]1:[#6](-[#7,#6]):[#7,#6]:[#6](:[#6,#7]:[#6]:1-[#6,#7])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 8546, 2008\n",
      "Mean nAts 30.3, mcs nAts: 26\n",
      "[#8]-[#6]1-[#6]-[#6,#8]-[#6](-[#6]-1-[#8])-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6](-[#17,#16]):[#7]:[#6]:2-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#35,#8,#17,#53]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 3642, 2006\n",
      "Mean nAts 35.0, mcs nAts: 23\n",
      "[#6,#8]-,=[#7,#6]1:[#6]2:[#6,#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8]):[#7,#6]:[#6]:2:[#6,#7](:[#7,#6](:[#6,#7]:1=,-[#8,#6])-,=[#6,#8])=,-[#8,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4140, 2010\n",
      "Mean nAts 29.8, mcs nAts: 26\n",
      "[#6]-[#6]-[#7](-[#6](-[#6,#9])=,-[#8,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#7,#16])-[#17,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 3081, 2005\n",
      "Mean nAts 25.1, mcs nAts: 25\n",
      "[#7]#[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#7]:[#6](-[#7]-[#7,#6]2-,:[#6]=,:[#6]-,:[#7,#6]-,:[#6,#7]=,:[#6,#7]-,:2):[#16]:[#6]:1-[#7]1:[#6]:[#7,#6]:[#6,#7]:[#7,#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 6779, 2007\n",
      "Mean nAts 30.9, mcs nAts: 24\n",
      "[#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]2-[#6]-[#6,#7]-[#8,#6,#7,#16]-[#6]-2)-[#6](-[#6]-1-[#8])-[#8]\n",
      "----------------\n",
      "J. Med. Chem., 51, 1719, 2008\n",
      "Mean nAts 28.3, mcs nAts: 23\n",
      "[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6](=[#8])-[#7]-[#6]1:[#6,#7]:[#6](-[#7,#6]):[#7]:[#6](:[#7,#6]:1)-[#6,#7]1:[#7,#6]:[#6]:[#6]:[#16,#6,#7,#8]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1933, 2011\n",
      "Mean nAts 35.9, mcs nAts: 21\n",
      "[#6]-[#6]-[#7](-[#6](-[#6])=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-[#7]-[#6](=[#8])-[#6,#7])-[#8]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 5241, 2010\n",
      "Mean nAts 25.0, mcs nAts: 20\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](:[#16]:1)-[#6]1:[#7,#8]:[#6,#7]:[#7,#6,#8]:[#8,#7]:1\n",
      "----------------\n",
      "J. Med. Chem., 50, 828, 2007\n",
      "Mean nAts 23.2, mcs nAts: 22\n",
      "[#6,#8]-[#6]1:[#7]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#6]:[#6]:2-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 45, 770, 2002\n",
      "Mean nAts 31.1, mcs nAts: 28\n",
      "[#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#8]:1)-[#7]-[#6](=[#8])-[#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 48, 7932, 2005\n",
      "Mean nAts 20.6, mcs nAts: 15\n",
      "[#8,#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#6]:1:[#7]:[#6](:[#7]:2)-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5993, 2006\n",
      "Mean nAts 22.2, mcs nAts: 18\n",
      "[#6,#7]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6,#7]:1)-[#6]1:[#6]:[#6](-[#6]2:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:2):[#7,#6]:[#6]:[#6,#7]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 7099, 2008\n",
      "Mean nAts 27.1, mcs nAts: 24\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6](-[#6]2:[#6,#7]:[#6,#7]:[#6,#7]:[#6](:[#7,#6]:2)-[#7,#8]):[#7]:[#6](:[#7]:1)-[#7]1:[#7]:[#6](-[#6]):[#6]:[#6]:1-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 49, 273, 2006\n",
      "Mean nAts 28.9, mcs nAts: 23\n",
      "[#6]-[#7]-[#6](=[#8])-[#6]1-[#16]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](-[#17]):[#7]:[#6]:3-[#7]-[#6])-[#6](-[#6]-1-[#8])-[#8]\n",
      "----------------\n",
      "J. Med. Chem., 52, 3994, 2009\n",
      "Mean nAts 35.6, mcs nAts: 20\n",
      "[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#8,#16]-,=[#6,#8]):[#6,#7]:[#6]:2:[#7]:[#6]:1=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 6887, 2005\n",
      "Mean nAts 19.6, mcs nAts: 16\n",
      "[#6]-[#7]1:[#6]2:[#7,#6]:[#6]:[#7]:[#6](:[#6]:2:[#7]:[#6]:1-[#7]1:[#7]:[#6]:[#6]:[#7]:1)-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1697, 2010\n",
      "Mean nAts 23.1, mcs nAts: 17\n",
      "[#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#7]:1)-[#6])-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6,#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 2741, 2008\n",
      "Mean nAts 26.3, mcs nAts: 19\n",
      "[#7]-[#6]1:[#7,#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6,#7]:[#6](:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 49, 3682, 2006\n",
      "Mean nAts 29.8, mcs nAts: 25\n",
      "[#6]-[#7]1:[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7](:[#6]:3)-[#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#6]:2:[#6](:[#7](:[#6]:1=[#8])-[#6])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 609, 2005\n",
      "Mean nAts 36.0, mcs nAts: 36\n",
      "[#6]-[#6]-[#6]-[#7]1:[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#8]-[#6]-[#6]3:[#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#7,#8]:[#8,#7]:3):[#7]:[#6]:2:[#6](:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2813, 2008\n",
      "Mean nAts 33.7, mcs nAts: 29\n",
      "[#6]-[#7]-[#6](=[#8])-[#6]1-[#8,#6]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#53,#6,#8,#17,#35])-[#6](-[#6]-1-[#8])-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 2664, 2009\n",
      "Mean nAts 23.7, mcs nAts: 15\n",
      "[#7]-[#6]1:[#7]:[#6](-[#6,#7]-[#7,#6]-,=[#6,#8]):[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#8]:1\n",
      "----------------\n",
      "J. Med. Chem., 49, 7373, 2006\n",
      "Mean nAts 30.8, mcs nAts: 25\n",
      "[#6]-[#7]-[#6]1:[#7]:[#6](-[#7,#6]2:[#6]:[#6,#7]:[#7]:[#7]:2):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-,=[#8,#7])-[#6](-[#6]-1-[#8])-[#8]\n",
      "----------------\n",
      "J. Med. Chem., 51, 5875, 2008\n",
      "Mean nAts 27.8, mcs nAts: 23\n",
      "[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#16]:[#6](:[#6]:1-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 1397, 2008\n",
      "Mean nAts 29.6, mcs nAts: 20\n",
      "[#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Serotonin 1a (5-HT1a) receptor Homo sapiens\n",
      "\t\t 24 papers\n",
      "----------------\n",
      "J. Med. Chem., 50, 4214, 2007\n",
      "Mean nAts 31.6, mcs nAts: 31\n",
      "[#7,#6,#8,#9]-[#6,#7]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=[#8])-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "J. Med. Chem., 52, 4955, 2009\n",
      "Mean nAts 33.6, mcs nAts: 17\n",
      "[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]1:[#6]:2-[#8]-[#6](-[#6]-[#7])-[#6]-[#8]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1114, 2010\n",
      "Mean nAts 20.8, mcs nAts: 20\n",
      "[#6,#8,#9,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#7,#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1338, 2006\n",
      "Mean nAts 27.6, mcs nAts: 13\n",
      "[#6]-[#7,#6]-[#6]-[#6,#7]1-[#6]-[#7,#6]-[#6,#8]:,-[#6](-,:[#8,#6]-1):[#6]:[#6]:[#6]:[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 911, 2005\n",
      "Mean nAts 29.7, mcs nAts: 17\n",
      "[#7]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 824, 2010\n",
      "Mean nAts 28.3, mcs nAts: 26\n",
      "[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]1=[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 2347, 2006\n",
      "Mean nAts 31.3, mcs nAts: 30\n",
      "[#8]-[#6](-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#7]:2)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](:[#6,#16]):[#16,#6]:[#6]1:[#6]:[#6](:[#6]:[#6]:[#6]:1)-[#9,#6,#8,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 5199, 2010\n",
      "Mean nAts 31.5, mcs nAts: 20\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7,#6]-[#6,#7,#16]=,-[#8,#6,#7,#16]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 7, 3183, 1997\n",
      "Mean nAts 32.1, mcs nAts: 30\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6])-[#7]-[#6](=[#8])-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 16, 6707, 2008\n",
      "Mean nAts 31.9, mcs nAts: 27\n",
      "[#6]1:[#7]:[#6]2:[#7,#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 222, 2010\n",
      "Mean nAts 31.9, mcs nAts: 24\n",
      "[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]3:[#6]:1:[#6]:[#6](:[#6]:[#6]:3)-[#9,#6])-[#6]-[#8]-2\n",
      "----------------\n",
      "J. Med. Chem., 49, 4785, 2006\n",
      "Mean nAts 30.6, mcs nAts: 18\n",
      "[#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]-[#6]-[#6])-[#6]-[#8]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 7, 2759, 1997\n",
      "Mean nAts 19.1, mcs nAts: 17\n",
      "[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "J. Med. Chem., 50, 4135, 2007\n",
      "Mean nAts 34.0, mcs nAts: 26\n",
      "[#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 865, 2011\n",
      "Mean nAts 21.0, mcs nAts: 16\n",
      "[#9,#6,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 515, 2004\n",
      "Mean nAts 30.7, mcs nAts: 22\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#8]-[#6](-[#6]-[#7]1-[#6]3-[#6]-[#6]-[#6]-1-[#6]-[#6](-,=[#6]-3)-[#8,#6,#7])-[#6]-[#8]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2621, 2011\n",
      "Mean nAts 31.3, mcs nAts: 28\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#8,#6]-[#6]1:[#6,#7]:[#6]:[#6]2:[#6](:[#7,#6]:1)-,:[#7]-,:[#6](=[#8])-,:[#6]-,:[#6]-,:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5567, 2005\n",
      "Mean nAts 33.1, mcs nAts: 29\n",
      "[#6]-[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#16]:[#6]1:[#6]:2:[#6](:[#7](:[#6]:[#7]:1)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:[#6,#7]:1)=[#8]\n",
      "----------------\n",
      "Eur. J. Med. Chem., 46, 5728, 2011\n",
      "Mean nAts 33.9, mcs nAts: 25\n",
      "[#8]=[#6](-[#6])-[#7](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1\n",
      "----------------\n",
      "J. Med. Chem., 54, 3480, 2011\n",
      "Mean nAts 33.1, mcs nAts: 25\n",
      "[#8]=[#6](-[#6])-[#7](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 150, 2006\n",
      "Mean nAts 33.6, mcs nAts: 32\n",
      "[#8]=[#6]1:[#7]:[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:2:[#6](:[#7]:1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 53, 7549, 2010\n",
      "Mean nAts 33.2, mcs nAts: 28\n",
      "[#7]-[#7]1:[#6](-[#6,#16]-[#6]-[#6]-[#6]-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#7]:2):,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-3):[#7]:[#6]:[#6]:[#6]:1=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 489, 2008\n",
      "Mean nAts 33.0, mcs nAts: 26\n",
      "[#6]1-[#6]-[#6,#7]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "J. Med. Chem., 53, 4066, 2010\n",
      "Mean nAts 36.3, mcs nAts: 34\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#7]:[#6]:2:[#6](:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#6]:[#6]:2\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t C-C chemokine receptor type 2 Homo sapiens\n",
      "\t\t 8 papers\n",
      "----------------\n",
      "J. Med. Chem., 49, 4801, 2006\n",
      "Mean nAts 39.4, mcs nAts: 28\n",
      "[#6,#7]-[#6]-[#7,#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 7473, 2010\n",
      "Mean nAts 37.8, mcs nAts: 35\n",
      "[#8]=[#6](-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#7]-[#6]1-[#6]-[#7](-[#6]2-[#6]-[#6]-[#7,#6](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2626, 2011\n",
      "Mean nAts 35.0, mcs nAts: 33\n",
      "[#6]-[#6](-[#6])-[#6]1(-[#6](=[#8])-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6,#7]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6,#7]:[#6,#7]:[#7,#6]:2)-[#6]-[#6]-[#6](-[#6]-1)-[#7]-[#6]1-[#6]-[#6]-[#8,#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "J. Med. Chem., 51, 721, 2008\n",
      "Mean nAts 35.0, mcs nAts: 32\n",
      "[#8]=[#6](-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#8,#16,#53]\n",
      "----------------\n",
      "ACS Med. Chem. Lett., 2, 450, 2011\n",
      "Mean nAts 35.5, mcs nAts: 35\n",
      "[#8]=[#6](-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#8])-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#7,#6]:[#6,#7]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 3418, 2009\n",
      "Mean nAts 40.7, mcs nAts: 35\n",
      "[#6]-[#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2099, 2010\n",
      "Mean nAts 38.5, mcs nAts: 38\n",
      "[#8]=[#6](-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 5063, 2008\n",
      "Mean nAts 36.6, mcs nAts: 33\n",
      "[#6]-[#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6]1-[#6]-[#6]-[#7,#6]-[#6]-[#6]-1-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Serotonin transporter Homo sapiens\n",
      "\t\t 37 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 4467, 2004\n",
      "Mean nAts 33.3, mcs nAts: 29\n",
      "[#8]=[#6]1-[#8]-[#6]2(-[#6]-[#6]-[#6](-[#6]-[#6]-2)-[#7]2-[#6]-[#6]-[#6,#7](-[#6]-[#6]-2)-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#17,#6,#8,#9,#35,#53])-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5893, 2009\n",
      "Mean nAts 21.3, mcs nAts: 13\n",
      "[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6]-[#8,#7]-[#6,#16]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5807, 2009\n",
      "Mean nAts 22.5, mcs nAts: 21\n",
      "[#6]-[#7]-[#6]-[#6](-[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 4345, 2006\n",
      "Mean nAts 22.4, mcs nAts: 20\n",
      "[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]1-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6,#8]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4491, 2008\n",
      "Mean nAts 21.4, mcs nAts: 21\n",
      "[#6]-[#7]-[#6]-[#6]1-[#8,#6]-[#6,#8]-[#6]2:[#6](-[#6]-1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#9,#17]):[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "J. Med. Chem., 51, 7265, 2008\n",
      "Mean nAts 19.2, mcs nAts: 9\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]1(-[#6])-[#6]-[#6]-1-[#6]-[#7]\n",
      "----------------\n",
      "J. Med. Chem., 43, 205, 2000\n",
      "Mean nAts 31.6, mcs nAts: 17\n",
      "[#7]-[#6]-[#6]-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 1434, 2006\n",
      "Mean nAts 24.1, mcs nAts: 20\n",
      "[#6]-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1555, 2010\n",
      "Mean nAts 24.5, mcs nAts: 23\n",
      "[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#6,#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#16]-1(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4018, 2008\n",
      "Mean nAts 21.6, mcs nAts: 17\n",
      "[#6]-[#7](-[#6])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "J. Med. Chem., 51, 6980, 2008\n",
      "Mean nAts 32.1, mcs nAts: 27\n",
      "[#6]-[#7](-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#9,#6,#8,#17])-[#6]1-[#6]-[#8]-[#6]2:[#6](-[#6]-1):[#6](:[#6]:[#6]:[#6]:2)-[#8,#6]-,=[#6,#7,#8]\n",
      "----------------\n",
      "J. Med. Chem., 48, 2054, 2005\n",
      "Mean nAts 34.3, mcs nAts: 24\n",
      "[#6]-[#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#8]-[#7]=[#6]2-[#6]-1-[#6]=,-[#6,#7,#8]-[#6]1:[#6]-2:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 1027, 2010\n",
      "Mean nAts 22.1, mcs nAts: 13\n",
      "[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#6,#8,#9]\n",
      "----------------\n",
      "J. Med. Chem., 49, 1766, 2006\n",
      "Mean nAts 33.7, mcs nAts: 26\n",
      "[#6](-[#6]-[#6,#8])-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 14, 2653, 2004\n",
      "Mean nAts 31.4, mcs nAts: 23\n",
      "[#6]-[#6]1:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1434, 2011\n",
      "Mean nAts 19.3, mcs nAts: 15\n",
      "[#6,#7]-[#6](-[#7,#6])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#6]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 6439, 2010\n",
      "Mean nAts 29.7, mcs nAts: 19\n",
      "[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17,#6])-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4929, 2008\n",
      "Mean nAts 23.1, mcs nAts: 11\n",
      "[#6,#7]-[#7,#6]-[#6]-[#6]-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 3130, 2007\n",
      "Mean nAts 30.2, mcs nAts: 21\n",
      "[#6]-[#7](-[#6])-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6]-,#[#6,#7]\n",
      "----------------\n",
      "J. Med. Chem., 48, 6023, 2005\n",
      "Mean nAts 18.1, mcs nAts: 16\n",
      "[#6]-[#7](-[#6])-[#6]-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 2896, 2008\n",
      "Mean nAts 19.8, mcs nAts: 18\n",
      "[#6]-[#7]-[#6]-[#6]1:[#6]:[#7,#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#6,#8,#35])-[#17,#6,#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5078, 2009\n",
      "Mean nAts 20.5, mcs nAts: 16\n",
      "[#6]-[#6]-[#7](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 15, 5419, 2005\n",
      "Mean nAts 28.5, mcs nAts: 25\n",
      "[#6]-[#7]1-[#6]2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#7,#8]-[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 4374, 2007\n",
      "Mean nAts 29.4, mcs nAts: 24\n",
      "[#6]-[#6]1-[#6]-[#7]2-[#6]-[#6]-[#6]-[#6]-2-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5552, 2009\n",
      "Mean nAts 31.6, mcs nAts: 16\n",
      "[#7,#6]-[#6]-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6,#7]:[#6](:[#7,#6]:2):[#6]:[#6]:[#6](-[#9]):[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 5303, 2008\n",
      "Mean nAts 22.8, mcs nAts: 18\n",
      "[#6,#9]-[#16,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1-[#6]-[#7]-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 6151, 2008\n",
      "Mean nAts 21.7, mcs nAts: 21\n",
      "[#6]-[#7]-[#6]-[#6]1(-[#8])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1-[#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8,#9,#16,#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 4799, 2007\n",
      "Mean nAts 28.2, mcs nAts: 21\n",
      "[#6]-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6]#,-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 5695, 2006\n",
      "Mean nAts 34.3, mcs nAts: 31\n",
      "[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9])-[#6]-[#6]-[#7]-1-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 50, 3686, 2007\n",
      "Mean nAts 28.9, mcs nAts: 27\n",
      "[#6]-[#7]1-[#6]2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2-[#6]1:[#7]:[#6]:[#6](:[#16]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2983, 2010\n",
      "Mean nAts 32.3, mcs nAts: 13\n",
      "[#6]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#6]-2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 1346, 2008\n",
      "Mean nAts 21.4, mcs nAts: 14\n",
      "[#7,#8]-,=[#6](=,-[#8,#6,#7])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#6]-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 2022, 2007\n",
      "Mean nAts 21.7, mcs nAts: 15\n",
      "[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17,#6,#9])-[#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7]-[#6]-1\n",
      "----------------\n",
      "J. Med. Chem., 54, 6305, 2011\n",
      "Mean nAts 36.2, mcs nAts: 33\n",
      "[#6]-[#6]1:[#7]:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#17,#6])-[#17,#6]):[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 47, 6401, 2004\n",
      "Mean nAts 20.0, mcs nAts: 19\n",
      "[#6]-[#8]-[#6](=[#8])-[#6]1-[#6]2-[#6]-[#6]-[#6](-[#7]-2-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 18, 4495, 2008\n",
      "Mean nAts 21.6, mcs nAts: 9\n",
      "[#6,#7]-[#8,#6]-[#6]1:,-[#6,#8,#16]:,-[#6,#8,#16]:,-[#6,#8]:,-[#6,#8]:,-[#6]:,-1-[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4781, 2009\n",
      "Mean nAts 39.4, mcs nAts: 34\n",
      "[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6])-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)(-[#6])-[#6])-[#6](=[#8])-[#6,#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#7,#6])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-[#6]:,-1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Muscarinic acetylcholine receptor M1 Homo sapiens\n",
      "\t\t 7 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 1710, 2011\n",
      "Mean nAts 27.7, mcs nAts: 21\n",
      "[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-[#7,#6]1:[#6]:[#6](-[#6](=[#8])-[#8]):[#6](:[#6,#7]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 17, 6066, 2007\n",
      "Mean nAts 26.6, mcs nAts: 16\n",
      "[#6]-[#7]1-[#6]2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#8]-[#6](=[#8])-[#7](-[#6]-[#6])-[#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 2769, 2011\n",
      "Mean nAts 25.6, mcs nAts: 16\n",
      "[#8]=[#6](-[#8])-[#6]1:[#6]:[#7](-[#6]-[#6]):[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6]:2\n",
      "----------------\n",
      "J. Med. Chem., 50, 6450, 2007\n",
      "Mean nAts 34.0, mcs nAts: 25\n",
      "[#6]-[#6]#,=[#6]-[#6]-[#7]1:[#6](-[#7]2-[#6]-[#6]-[#6]-[#6](-[#6]-2)-[#7]):[#7]:[#6]2:[#6]:1:[#6](=[#8]):[#7](-[#6]-[#6]):[#6](:[#7]:2-[#6])=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 52, 5076, 2009\n",
      "Mean nAts 30.0, mcs nAts: 13\n",
      "[#8]=[#6](-[#8]-[#6]1-[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2)-[#6]-[#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 2533, 2010\n",
      "Mean nAts 26.4, mcs nAts: 18\n",
      "[#8,#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#8]):[#6](:[#6]:[#6]:1)=[#8]\n",
      "----------------\n",
      "J. Med. Chem., 45, 984, 2002\n",
      "Mean nAts 43.4, mcs nAts: 23\n",
      "[#7,#8]-,=[#6](=,-[#8,#7])-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cyclooxygenase-2 Homo sapiens\n",
      "\t\t 8 papers\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 7164, 2010\n",
      "Mean nAts 21.0, mcs nAts: 18\n",
      "[#8]=[#6](-[#8])-[#6]1=[#6]-[#6]2:[#6]:[#6](-[#17,#6,#8]):[#6]:[#6]:[#6]:2-[#8]-[#6]-1-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4504, 2009\n",
      "Mean nAts 26.1, mcs nAts: 19\n",
      "[#6,#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6,#7]:[#6](-[#6,#7,#8]-[#9,#6]):[#7]:[#6](:[#7,#6]:1)-[#7,#6,#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 4509, 2009\n",
      "Mean nAts 29.6, mcs nAts: 25\n",
      "[#6,#8]-[#6,#7]-[#6]1:[#7]:[#6]:[#6](:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#6])(=[#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 7159, 2010\n",
      "Mean nAts 22.4, mcs nAts: 19\n",
      "[#8]=[#6](-[#8])-[#6](=[#6])-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6,#7,#8,#16])-[#17])-[#6](-[#9])(-[#9])-[#9]\n",
      "----------------\n",
      "J. Med. Chem., 50, 6367, 2007\n",
      "Mean nAts 30.2, mcs nAts: 23\n",
      "[#6]-[#6]1:[#6](-[#6]-[#6]-,=[#8,#7]):[#6]2:[#6]:[#6](-[#8]):[#6]:[#6]:[#6]:2:[#7]:1-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 21, 993, 2011\n",
      "Mean nAts 25.4, mcs nAts: 24\n",
      "[#8]=[#6](-[#8])-[#6]1=[#6]-[#6]2:[#6]:[#6](-[#17]):[#6]:[#6](:[#6]:2-[#8]-[#6]-1-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n",
      "----------------\n",
      "Eur. J. Med. Chem., 50, 179, 2012\n",
      "Mean nAts 25.0, mcs nAts: 22\n",
      "[#6]-[#6]1:[#6]:[#6]:[#7]:[#6](:[#6]:1)-[#6](=[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]-[#6](=[#8])-[#8]\n",
      "----------------\n",
      "J. Biol. Chem., 282, 16379, 2007\n",
      "Mean nAts 20.2, mcs nAts: 19\n",
      "[#6,#9,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#8])-[#17,#6]\n",
      "-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*-*\n",
      "\t Cytochrome P450 3A4 Homo sapiens\n",
      "\t\t 8 papers\n",
      "----------------\n",
      "J. Med. Chem., 50, 2297, 2007\n",
      "Mean nAts 29.0, mcs nAts: 27\n",
      "[#7]#[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:[#6]:1-[#7]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#7]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 19, 5657, 2009\n",
      "Mean nAts 26.5, mcs nAts: 22\n",
      "[#6]-[#6]1(-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]2(-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#8]-[#8]-1\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 5004, 2010\n",
      "Mean nAts 37.3, mcs nAts: 33\n",
      "[#6]-[#6]-[#7]1:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6]:1\n",
      "----------------\n",
      "Bioorg. Med. Chem., 19, 1751, 2011\n",
      "Mean nAts 24.5, mcs nAts: 23\n",
      "[#6]-[#6](-[#6])-[#6](-[#8])(-[#6]1:[#6]:[#7]:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6](-[#7,#6,#8])=[#8]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 20, 4587, 2010\n",
      "Mean nAts 39.7, mcs nAts: 28\n",
      "[#6]-[#6](-[#8]-[#6]1:[#6]:[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6](:[#6]:3)-[#6]):[#16]:[#6]:1-[#6](-[#7])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6]\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 22, 1611, 2012\n",
      "Mean nAts 29.9, mcs nAts: 25\n",
      "[#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6,#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7,#6]:[#6]:[#7]:2\n",
      "----------------\n",
      "Bioorg. Med. Chem. Lett., 16, 2729, 2006\n",
      "Mean nAts 31.2, mcs nAts: 27\n",
      "[#6]-[#6](-[#6](-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#6](=[#8])-[#8])-[#7]1:[#6]:[#6]:[#7]:[#6]:1)-[#7](-[#6])-[#6]\n",
      "----------------\n",
      "J. Med. Chem., 54, 6050, 2011\n",
      "Mean nAts 35.2, mcs nAts: 32\n",
      "[#6]-[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#7]1-[#6]-[#6]-[#6](-[#8]-[#6]-1=[#8])(-[#6]-[#6]-[#6,#7]-[#8,#6,#7,#16])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1\n"
     ]
    }
   ],
   "source": [
    "with open('results/papers_mcs_results.pkl','wb+') as outf:\n",
    "    for tid in tgts:\n",
    "        data = processTarget(tid)\n",
    "        pickle.dump(data,outf)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Read the data back in (this allows us to come back later and repeat analysis work without having to re-calculate all the scaffolds)."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "alldata = []\n",
    "with open('results/papers_mcs_results.pkl','rb') as inf:\n",
    "    while 1:\n",
    "        try:\n",
    "            row = pickle.load(inf)\n",
    "        except EOFError:\n",
    "            break\n",
    "        alldata.append(row)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "37"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(alldata)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[(65,\n",
       "  Decimal('35328'),\n",
       "  'J. Med. Chem., 47, 6792, 2004',\n",
       "  MCSRes(smarts='[#6]1:[#6]:[#6](-[#6]-[#7]2:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2):[#6]:[#6,#8]:[#6,#8]:1', numAtoms=12, numMols=17, avgNumMolAtoms=array([24, 23, 18, 19, 17, 17, 19, 19, 24, 19, 19, 17, 25, 17, 19, 25, 24]), mcsTime=0.046170949935913086),\n",
       "  [<rdkit.Chem.rdchem.Mol at 0x7f55246846d8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246847c8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524684688>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524684e08>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524684e58>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246849f8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524684f48>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613b88>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613bd8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613548>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613598>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246135e8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613638>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613688>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246136d8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613728>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613778>]),\n",
       " (65,\n",
       "  Decimal('44596'),\n",
       "  'Bioorg. Med. Chem., 16, 8349, 2008',\n",
       "  MCSRes(smarts='[#6]-[#6]-[#7,#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6])-[#7]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:1', numAtoms=16, numMols=37, avgNumMolAtoms=array([27, 27, 23, 27, 30, 28, 28, 26, 27, 26, 27, 28, 23, 27, 28, 28, 25,\n",
       "       20, 28, 30, 26, 28, 27, 27, 27, 17, 27, 26, 26, 27, 26, 22, 20, 27,\n",
       "       28, 23, 28]), mcsTime=0.4323115348815918),\n",
       "  [<rdkit.Chem.rdchem.Mol at 0x7f5524613818>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613868>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246138b8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613908>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613958>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613048>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613098>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246130e8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613138>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613188>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246131d8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613228>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613278>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246132c8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613318>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613368>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246133b8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613408>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613458>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613c28>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613c78>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613cc8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613d18>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613d68>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613db8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613e08>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613e58>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613ea8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613ef8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246139a8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246139f8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613a48>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613a98>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613ae8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524613b38>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246134a8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246134f8>]),\n",
       " (65,\n",
       "  Decimal('55671'),\n",
       "  'ACS Med. Chem. Lett., 2, 243, 2011',\n",
       "  MCSRes(smarts='[#7]#[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]:[#7]:[#7]:[#6]:1', numAtoms=21, numMols=14, avgNumMolAtoms=array([26, 25, 34, 33, 33, 32, 33, 34, 32, 27, 33, 33, 26, 22]), mcsTime=0.6088924407958984),\n",
       "  [<rdkit.Chem.rdchem.Mol at 0x7f5524694e08>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694e58>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694b38>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694638>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694d68>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246943b8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694408>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694458>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246949a8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246944f8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246946d8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694c78>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694d18>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694598>]),\n",
       " (65,\n",
       "  Decimal('36137'),\n",
       "  'J. Med. Chem., 50, 3420, 2007',\n",
       "  MCSRes(smarts='[#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1', numAtoms=14, numMols=10, avgNumMolAtoms=array([20, 21, 17, 23, 26, 29, 20, 20, 23, 26]), mcsTime=0.04481649398803711),\n",
       "  [<rdkit.Chem.rdchem.Mol at 0x7f5524694958>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694818>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246944a8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246948b8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246945e8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694f48>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694368>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694688>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694318>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246949f8>]),\n",
       " (65,\n",
       "  Decimal('38826'),\n",
       "  'Bioorg. Med. Chem., 16, 1474, 2008',\n",
       "  MCSRes(smarts='[#8]=[#6]1-,:[#6]-,:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,:[#8]-,:[#6]2:[#6]-,:1:[#6]:[#6]:[#6]:[#6]:2', numAtoms=17, numMols=12, avgNumMolAtoms=array([19, 23, 19, 21, 22, 18, 23, 21, 19, 20, 22, 20]), mcsTime=0.16046690940856934),\n",
       "  [<rdkit.Chem.rdchem.Mol at 0x7f5524694b88>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694c28>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694db8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55246947c8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694a48>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694a98>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f5524694868>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55270e9bd8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55270e9ef8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55270e9a98>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55270e9e58>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55270e9c78>]),\n",
       " (65,\n",
       "  Decimal('51275'),\n",
       "  'J. Med. Chem., 53, 5347, 2010',\n",
       "  MCSRes(smarts='[#6]1:[#6]:[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1', numAtoms=12, numMols=14, avgNumMolAtoms=array([22, 21, 17, 24, 21, 22, 24, 24, 24, 24, 21, 21, 21, 19]), mcsTime=0.030237674713134766),\n",
       "  [<rdkit.Chem.rdchem.Mol at 0x7f55270e9e08>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f55270e9a48>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f048>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f098>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f0e8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f138>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f188>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f1d8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f228>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f278>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f2c8>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f318>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f368>,\n",
       "   <rdkit.Chem.rdchem.Mol at 0x7f552468f3b8>])]"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "alldata[0]"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Create a Pandas DataFrame with the data so that we can explore it a bit.\n",
    "\n",
    "*Note* The molecule renderings in this table are not optimal. I was unable to figure out how to get the SVG to render properly in the notebook. Still, this is hopefully better than nothing."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 72,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div style=\"max-height:1000px;max-width:1500px;overflow:auto;\">\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>tid</th>\n",
       "      <th>numAtoms</th>\n",
       "      <th>avgNumMolAtoms</th>\n",
       "      <th>mol</th>\n",
       "      <th>smarts</th>\n",
       "      <th>time</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td> 65</td>\n",
       "      <td> 12</td>\n",
       "      <td> 20.294118</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                                    [#6]1:[#6]:[#6](-[#6]-[#7]2:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2):[#6]:[#6,#8]:[#6,#8]:1</td>\n",
       "      <td> 0.046171</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td> 65</td>\n",
       "      <td> 16</td>\n",
       "      <td> 26.081081</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                       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\" alt=\"Mol\"/></td>\n",
       "      <td>             [#6]-[#6]-[#7,#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6])-[#7]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:1</td>\n",
       "      <td> 0.432312</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td> 65</td>\n",
       "      <td> 21</td>\n",
       "      <td> 30.214286</td>\n",
       "      <td>                                                                                                                                         <img 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\" alt=\"Mol\"/></td>\n",
       "      <td> [#7]#[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]:[#7]:[#7]:[#6]:1</td>\n",
       "      <td> 0.608892</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td> 65</td>\n",
       "      <td> 14</td>\n",
       "      <td> 22.500000</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                       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src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                                         [#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1</td>\n",
       "      <td> 0.044816</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td> 65</td>\n",
       "      <td> 17</td>\n",
       "      <td> 20.583333</td>\n",
       "      <td> <img 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\" alt=\"Mol\"/></td>\n",
       "      <td>             [#8]=[#6]1-,:[#6]-,:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,:[#8]-,:[#6]2:[#6]-,:1:[#6]:[#6]:[#6]:[#6]:2</td>\n",
       "      <td> 0.160467</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   tid  numAtoms  avgNumMolAtoms                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        mol                                                                                                                 smarts      time\n",
       "0   65        12       20.294118                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          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nZYn3TUbWD/++KM8++yz8vrrr8t1111ns+2NN97omaKcFBkpNg/5IiJsb29r7I2wDAaDZkYdDz74oERFRVncVl9fL76+vuLv7+/hqtxPs4E1e/ZsueWWW+T+++/3dikuu+km80XagOVrHnlIeCVbIyyTySRz586VHj16eLgq95gyZYrVbVo+W6rJwNq2bZts3bpVSkpKxMfK1c1LliyRqKgoue+++zxcneO6dxdZsMD6dgbWlWx9UH19fUWv13u4Iu/Q0qHv1TQ36V5XVycpKSmSkZEhN998s8U25eXlMm/ePOV/qJzDupKWP6jO0PIIS3OBdezYMfH395dZs2ZZbfP444/LiBEjZPv27dLU1OTB6loW57Cu1JbWYb3yyivy1VdfWdym5e+D5gKrd+/eEh4eLvfff78YDIZrtpeVlcmePXtEr9fL2rVrW/3lGq+9JlJSYnkbDwmvZGsO6+zZs7Jw4cJfzqCpbtmyZfLtt99a3KbVm/eJaDCwgoKCZOPGjXLkyBF57LHHrtkeExMj5eXlMmzYMNm2bZvk5eXJq6++6oVKHbNihcjOnZa3MbCuZGtkcfLkSUlPTxeTyeThqtzD1mEfR1iK6datm2zbtk3Wr18v2RZWXl76YcbHx8vq1auloKBAWuvTzmyFUmSk+TY4DjyToE2wNbK4NLLSyoXitubrtDyXp8nAEhGJi4uTtWvXSlpamrz//vtW202cOFHy8/Otnk30NlsT6xER5keVnTvn0ZJaLXsfYn9/f2nnqaeJuNn8+fMlNjbW4jZOuivq7rvvlkWLFsm0adNk37593i7HJcnJInfdZXnbf27YwMPC/7D1QY2KipL09HQPV+Q+Tz75pNWn/nCEpbDU1FSZMWOGTJgwweojsy4xGo3yyiuvyMWLFz1UnX2TJ5sfhmFJSIj5Vjg8U2hm64N6/fXXywJbi9o0hCMsxS1ZskSGDBkikyZNktraWqvtamtrZcWKFfLQQw+12jmtq4WHc4R1iZY/qM7gWULFtWvXTt555x1pamqShx56yOqZotDQUPnggw/ks88+c+hhla3BzTeLNDZ6u4rWQctnxy5XV1cn6enpVm/eqOXvQ5sILBGRkJAQyc/Pl+3bt8u8efOstuvTp49s3LhR1q1bJ+cUmM3+5BMRC7dEapNsjSz2798vb775pocrco+amhpZuHCh1akLLY8020xgiZgXlW7ZskVeffVVycnJsdpu5MiRUlpaavcuD9S62BpZFBcXy7JlyzxckXvYu98VJ9015JZbbpG3335bUlNT5eOPP7bazhuPM29qMj+Revx4kVOn7Lf38REZPtzy622RvXVYWhl12LvflZa+1qu1ucASEUlOTpann35a7rvvPquXN1zugw8+kLNuflDh3/8u0ru3yCOPmG8r4+icf1iYyLvvurU0Zdi7C6dWRh2dO3cWvV4vQUFBFrdr6Wu9miZvL+OIZ555Rr777jsZN26c7Ny5Uzp37myxnclkkqysLAkMDJR//vOfbrspWliYyPPPi0ydKlYf8mrJ4sXmOaz/+R/zI8raMoPBYPWDOmzYMImMjBQRkYMHD1pddKmCiIgImTVrltVFsFoOrDY5whIR8fHxkeXLl0uvXr3k3nvvtXpRrK+vr2zatEmOHj0qM2fObPb7VleLvPyyyNXz/lOnivzv/zoXViIi/fuLjB4topHpGZcZDAYxGo1WR1ijR4+Whx9+WEpKSmTgwIHy6KOPun3U7A6HDx+WKVOmyNChQ8Vo5ZosHhJqVEBAgKxfv14qKipshlFkZKS8//77snnzZtm/f79L73X+vMjvfy8SHS2yfLlIr14uFm3BggUiS5a07Ut0HL2P+aBBg2T79u2ya9cuiY2NlQ8//NAT5bWI1NRUGTBggBiNRtm8eTNHWG1RRESEbN68WfLz823ekTI+Pl6OHDkiAwYMcHjftbW18sYbb8itt94qDQ2nJSREZOtWkdJSERu367Lq558tv961q4hOJ/LCC87vUysqKytFRBy6v1lCQoJ88cUXkp6ebvW5j61RbGysFBYWysaNG20e0mp5hCUgAEBhYSECAwPxzjvvtMj+srKy0KlTJ/Ts2RPPPfcczp4969J+TCagoAC45x4gJAS4fDeX//Tq6oCYGKC83Py6ydSs8pVRV1eHl156CWFhYejXrx+6d++OvLw8l/ZlMplQX1/fwhW6pr6+Hnv37nWpb1xcHHJzc1u4otaBgXWZFStWICgoCDt27LDbtqysDMePH7e6fcOGDdi0aROamppcquXcOSAnB4iPBwIDgeRkc3Bd7uo/N6tXAw88YH598WIgKQk4etSlt2/1jEYj8vLycP3116Nnz57IyclBfX09srOzERISgtGjR+PQoUNO7XPVqlWIiYnBhx9+6Kaq7TMajcjNzUXv3r0xZMgQmJz8y1NXV4cePXpg7dq1bqrQuxhYV5kzZw66deuGo3Y+6dOmTcPgwYNx4MABZGRkYM6cOS3y/nv2ADodEBxsHjHp9cDp05bbXh1YJhOQkGB+/bvvgN/8xryfzEygoaFFymsVCgoKMGjQIISHh0Ov1+PixYtXbD9+/DimTJmCoKAgZGZmOjxqqq2tRUZGBgICAvC73/0OlZWV7ijfKpPJhMTERISHh2PRokXXfF22NDU1Yfny5YiOjkZCQgIuXLjgxkq9h4F1FaPRiEmTJiE+Ph7nzp2z2q68vByhoaHw8fHByJEjXT4MAYCLF4HcXGDIEKBdO/PIqKCgZQ7r8vOBHj2AgQOB4uLm78+bdu7ciVGjRiE4OBhpaWl2D7Pz8/PRu3dvp0dNBw4cwN13340ffviheQW74KOPPkJ1dbVTfQoKCjBw4EBERERYDHAtYWBZUFtbi2HDhmHcuHFWD+mMRiNSUlIQGRmJNWvWuPQ+hw8DaWlAeDgQFWX+/7FjzancsnPngNRUwM8PmD7d+oittTp48CCSk5Ph7+8PnU6HEydOONy3trYWmZmZCAgIQHJyMqqqqtxYqXMOHTrUrD90O3bswB133PFLgNv6A6sVDCwrTpw4gR49euDJJ5+02c7WPJYlDQ1AXh4wdizg62v+Ny8PaGxsTrWO+fJLYNgwoGtX84iutU/MHz9+HDqdDn5+fhg7diz279/v8r5KSkowcuRIXHfddcjOzobRaHSq/8svvwydToeamhqXa7jk5MmTmDlzJvz9/TFt2jSn+5eWll4R4CdPnmx2TapgYNmwd+9edOjQAUuXLm32vk6cOAG9Xo9Bg25B584G6HTAgQMtUKSTjEbzZH5oKDBqFFBa6vka7KmurkZaWhqCgoIwcuRIFBUVtch+TSYTcnNzERkZiaFDh2L37t0O9y0qKkL//v0RHR2NdevWuVxDU1MT+vTpg9tuuw3bt293qu+PP/4InU6Hdu3aISkpCd9++63LdaiKgWXHli1bEBAQgM2bNzvd12g04oMPPkBSUhJ8fX0xcuRIrFq1ChcvGtxQqXNOnjQfHvr7mw9FW8O0R0NDA3JyctC5c2fExcU163DJljNnzkCn08Hf3x+pqak4f/68Q/0MBgP0ej169Ojh9DzT5eyd0LmauwJcRQwsByxcuBAhISH4+uuvHWpfVVUFvV6P66+/HiEhIdDpdPjqq6/cW6SLPv4YuOkmoG9fYNs279RgaYmCq8tBnPHpp58iLi4O3bt3d2rdkqNnHY1GI1auXIkXX3zRpfoaGhqQnZ2NsLAwxMfHuy3AVcLActDMmTPRp08fm6e69+zZA51Oh6CgIPTr1w96vb5Zf4k9pbYWyMgAAgKAP/7xY1RUVHjsve0tUXA3g8GA7OxsdOjQAUlJSSgvL3d6H8uWLUNhYeEVr23duhWDBg1CWFgY/va3vzm1v0sB3qdPH48GuAoYWA4yGAwYM2YMhg0bhtra2l9eP3/+PHJycjBw4MBfzkQVFBQ4veCvNThwoAl33jkGnTp1wtKlS52emHaGs0sU3O3777/HuHHjEBwcjMzMTDQ4sXAtPT0d/v7+mDFjBk6dOoWGhgbExcXhz3/+M5cotDAGlhNqamoQHx+P5ORkHDhwAKmpqejYsSOio6ORmZmJU6dOebvEZrs0Md2lSxcMHjwYu3btatH9N2eJgifk5+ejZ8+eGDBggFOT4vv27cOIESMwYMAAmEwmp0dEO3bsuCLA28ISBVcwsJxUVlaGvn37ol27dvjtb3+LrVu3unUk4i3V1dVITU2Fn59fi5zOv3qJgqPzgd5w4cIFpKWlwc/PD9OnT8dPP/3kUD+j0Yjvv//eqfe6OsDb0hIFVzCwXGA0GtvML9al0/lRUVEuXVB7/vx5ZGZmIigoCLfeeis+++wzN1TpHl999RWGDx+O8PBw5OTktOhh/uUBnpSUhMOHD7fYvrWMgUV2NTY2Ijs7Gx07dnT4ouJLSxS6dOni1iUK7mY0GpGTk4PQ0FDcfvvt+Oabb5q1Py5RaB4GFjnMkYuKvbVEwd0qKiowffr0X9ZuOXtxsafWmGkdA4ucZu2iYm8vUfCEf//73+jXrx9uuOEGbN261W57rQa4tzCwyCU///wz5syZA39/f0yePBm33XYbgoODMW/ePM2f4bp48SIyMzMRGBiIpKQkHLNyxXpbCHBPY2BRs+zbtw+zZ8/GY4891uqWKLhbWVkZ7rrrLnTo0AF6vf6XkVNrW2OmJT6Ao0/AI6KrAZBVq1bJn/70J+nevbt06dJFPvnkE3n44YclMzNToqKivF2ipjCwiFpAdXW1vPzyy1JfXy86nU5uvvlmb5ekSQwsIlJGm3/MFxGpg4FFRMpgYBGRMhhYRKQMBhYRKYOBRUTKYGARkTIYWESkDAYWESmDgUVEymBgEZEyGFhEpAwGFhEpg4FFRMpgYBGRMhhYRKQMBhYRKYOBRUTKYGARkTIYWESkDAYWESmDgUVEymBgEZEyGFhEpAwGFhEpg4FFRMpgYBGRMhhYRKQMBhYRKYOBRUTKYGARkTIYWESkDAYWESmDgUVEymBgEZEy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       "1   65        16       26.081081                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 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       "2   65        21       30.214286                                                                                                                                          <img 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\" 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       "3   65        14       22.500000                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 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\" 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       "4   65        17       20.583333  <img 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\" alt=\"Mol\"/>              [#8]=[#6]1-,:[#6]-,:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,:[#8]-,:[#6]2:[#6]-,:1:[#6]:[#6]:[#6]:[#6]:2  0.160467"
      ]
     },
     "execution_count": 72,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "tbl = []\n",
    "for row in alldata:\n",
    "    for r in row:\n",
    "        tid,docid,ref,tpl,_ = r\n",
    "        m = Chem.MolFromSmarts(tpl.smarts)\n",
    "        m.UpdatePropertyCache(False)\n",
    "        #svg = moltosvg(m,kekulize=False)\n",
    "        tbl.append((tid,tpl.numAtoms,tpl.avgNumMolAtoms.mean(),m,tpl.smarts,tpl.mcsTime))\n",
    "df = pd.DataFrame(data=tbl,columns=('tid','numAtoms','avgNumMolAtoms','mol','smarts','time'))\n",
    "PandasTools.RenderImagesInAllDataFrames(images=True)\n",
    "df.head(5)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "How many \"scaffolds\" do we have in total?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "648"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(df)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "How many are reasonably sized?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "640"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(df[df.numAtoms>6])"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Not bad! It's still worth looking at the ones that are super small:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div style=\"max-height:1000px;max-width:1500px;overflow:auto;\">\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>tid</th>\n",
       "      <th>numAtoms</th>\n",
       "      <th>avgNumMolAtoms</th>\n",
       "      <th>mol</th>\n",
       "      <th>smarts</th>\n",
       "      <th>time</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>128</th>\n",
       "      <td> 13001</td>\n",
       "      <td> 6</td>\n",
       "      <td> 33.538462</td>\n",
       "      <td>                                         <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                                          [#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1</td>\n",
       "      <td> 0.010566</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>188</th>\n",
       "      <td>    15</td>\n",
       "      <td> 5</td>\n",
       "      <td> 11.400000</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                             [#6,#7,#8]-[#6,#7,#8]-[#6](-,=[#6,#8])-,=[#6,#8]</td>\n",
       "      <td> 0.001489</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>189</th>\n",
       "      <td>    15</td>\n",
       "      <td> 6</td>\n",
       "      <td> 16.300000</td>\n",
       "      <td> <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td> [#7,#6,#8,#16]-,=[#6]1:,-[#7,#16]:,-[#7,#6,#8,#16]:,-[#6,#7]:[#16,#6,#7]:,-1</td>\n",
       "      <td> 0.008936</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>200</th>\n",
       "      <td>    15</td>\n",
       "      <td> 5</td>\n",
       "      <td> 23.608696</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                             [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6]-,=[#6]</td>\n",
       "      <td> 0.005014</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>206</th>\n",
       "      <td>    15</td>\n",
       "      <td> 6</td>\n",
       "      <td> 21.000000</td>\n",
       "      <td>                                         <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                                          [#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1</td>\n",
       "      <td> 0.015131</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>223</th>\n",
       "      <td> 10193</td>\n",
       "      <td> 6</td>\n",
       "      <td> 15.791667</td>\n",
       "      <td>                                         <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                        [#6]1:,-[#6,#7]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6,#7]:,-1</td>\n",
       "      <td> 0.005510</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>238</th>\n",
       "      <td> 10193</td>\n",
       "      <td> 5</td>\n",
       "      <td> 11.900000</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                 <img src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                                [#7,#6]-[#6](-[#6,#7]-,=[#6,#8])-,=[#6,#7,#8]</td>\n",
       "      <td> 0.000738</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>249</th>\n",
       "      <td> 10193</td>\n",
       "      <td> 5</td>\n",
       "      <td> 11.400000</td>\n",
       "      <td>                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                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src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td>                             [#6,#7,#8]-[#6,#7,#8]-[#6](-,=[#6,#8])-,=[#6,#8]</td>\n",
       "      <td> 0.001440</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "       tid  numAtoms  avgNumMolAtoms                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    mol                                                                        smarts      time\n",
       "128  13001         6       33.538462                                          <img src=\"data:image/png;base64,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\" alt=\"Mol\"/>                                           [#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1  0.010566\n",
       "188     15         5       11.400000                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      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       "200     15         5       23.608696                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  <img 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alt=\"Mol\"/>                              [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6]-,=[#6]  0.005014\n",
       "206     15         6       21.000000                                          <img 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\" alt=\"Mol\"/>                                           [#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1  0.015131\n",
       "223  10193         6       15.791667                                          <img 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Hx+fe3+u7fX/FhISIn5+frJ+/fqH+G1hFwTLTRUVFUlAQICsW7dOBg8ebPU41bJ582Z57733JC8vz+UTG2BvBMuNzZ49W9asWSMnT54ULy8vq8e5r1u3bknHjh1l1KhR8sknn1g9DizCN5ZuLDo6WgzDkMTERKtHeaBFixbJrVu3ZMqUKVaPAgtxhOXmvvvuu3svG3V1kabV7r69efXq1fLOO+9YPQ4sRLAgwcHB0rJlS1m7dq3Vozg1atQoOXv2rGRlZdn+fYu4P57FAUlKSpLAwEDx9vYWPz8/q8f5G4fDIampqZKdnU2swBEW/m337t2SkJBg9RhORUZGSt++fa0eA48BggVADc4SAlCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVCDYAFQg2ABUINgAVDjX4Q/O5uNrFafAAAAAElFTkSuQmCC\" alt=\"Mol\"/>                         [#6]1:,-[#6,#7]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6,#7]:,-1  0.005510\n",
       "238  10193         5       11.900000                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             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alt=\"Mol\"/>                                 [#7,#6]-[#6](-[#6,#7]-,=[#6,#8])-,=[#6,#7,#8]  0.000738\n",
       "249  10193         5       11.400000                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             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src=\"data:image/png;base64,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\" alt=\"Mol\"/>                              [#6,#7,#8]-[#6,#7,#8]-[#6](-,=[#6,#8])-,=[#6,#8]  0.001440"
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df[df.numAtoms<=6]"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": false
   },
   "source": [
    "We can also render those better:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 68,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg baseProfile=\"full\" height=\"150px\" version=\"1.1\" width=\"250px\" xml:space=\"preserve\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:svg=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<rect height=\"150\" style=\"opacity:1.0;fill:#ffffff;stroke:none\" width=\"250\" x=\"0\" y=\"0\"> </rect>\n",
       "<path d=\"M 140.28,6.81818 61.5501,6.81818\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 132.407,17.3155 69.423,17.3155\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 140.28,6.81818 172.069,61.8784\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 134.368,17.5728 159.799,61.621\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 61.5501,6.81818 22.1853,75\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 66.7045,18.885 35.2127,73.4305\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 22.1853,75 61.5501,143.182\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 35.2127,76.5695 66.7045,131.115\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 61.5501,143.182 140.28,143.182\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 69.423,132.685 132.407,132.685\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 140.28,143.182 172.069,88.1216\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 134.368,132.427 159.799,88.379\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<text style=\"font-size:26px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"131.474\" y=\"85.2784\"><tspan>[#6,#7]</tspan></text>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 68,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SVG(moltosvg(df[df.numAtoms<=6].iloc[0,3],kekulize=False,molSize=(250,150)))\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 69,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg baseProfile=\"full\" height=\"150px\" version=\"1.1\" width=\"250px\" xml:space=\"preserve\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:svg=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<rect height=\"150\" style=\"opacity:1.0;fill:#ffffff;stroke:none\" width=\"250\" x=\"0\" y=\"0\"> </rect>\n",
       "<path d=\"M 95.2909,91.9051 107.003,98.6672\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 130.428,98.6672 153.852,85.1431\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 153.852,85.1431 177.276,98.6672\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 153.852,85.1431 153.852,51.3328\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<text style=\"font-size:13px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"47.4712\" y=\"90.081\"><tspan>[#6,#7,#8]</tspan></text>\n",
       "<text style=\"font-size:13px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"82.6078\" y=\"110.367\"><tspan>[#6,#7,#8]</tspan></text>\n",
       "<text style=\"font-size:13px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"164.165\" y=\"110.367\"><tspan>[#6,#8]</tspan></text>\n",
       "<text style=\"font-size:13px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"129.028\" y=\"49.5088\"><tspan>[#6,#8]</tspan></text>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 69,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SVG(moltosvg(df[df.numAtoms<=6].iloc[1,3],kekulize=False,molSize=(250,150)))\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 70,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg baseProfile=\"full\" height=\"150px\" version=\"1.1\" width=\"250px\" xml:space=\"preserve\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:svg=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<rect height=\"150\" style=\"opacity:1.0;fill:#ffffff;stroke:none\" width=\"250\" x=\"0\" y=\"0\"> </rect>\n",
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       "<path d=\"M 143.173,75 138.195,75\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 138.195,75 146.512,86.4469\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 146.512,86.4469 154.829,97.8938\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 143.703,74.4962 150.357,83.6537\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 150.357,83.6537 157.01,92.8112\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 138.195,75 146.512,63.5531\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 146.512,63.5531 154.829,52.1062\" style=\"fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
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       "<path d=\"M 193.041,86.8802 193.041,75\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 193.041,75 193.041,63.1198\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 188.289,84.5042 188.289,75\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 188.289,75 188.289,65.4958\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 174.759,51.2395 176.093,51.6729\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 176.093,51.6729 177.426,52.1062\" style=\"fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 173.557,55.8457 174.624,56.1924\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<path d=\"M 174.624,56.1924 175.691,56.539\" style=\"fill:none;fill-rule:evenodd;stroke:#CCCC00;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1;stroke-dasharray:6,6\"/>\n",
       "<text style=\"font-size:11px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"56.9592\" y=\"78.9599\"><tspan>[#7,#6,#8,#16]</tspan></text>\n",
       "<text style=\"font-size:11px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"133.373\" y=\"107.794\"><tspan>[#7,#16]</tspan></text>\n",
       "<text style=\"font-size:11px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"147.445\" y=\"96.7802\"><tspan>[#7,#6,#8,#16]</tspan></text>\n",
       "<text style=\"font-size:11px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"171.234\" y=\"61.1395\"><tspan>[#6,#7]</tspan></text>\n",
       "<text style=\"font-size:11px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#CCCC00\" x=\"123.461\" y=\"50.126\"><tspan>[#16,#6,#7]</tspan></text>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 70,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SVG(moltosvg(df[df.numAtoms<=6].iloc[2,3],kekulize=False,molSize=(250,150)))\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 71,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/svg+xml": [
       "<svg baseProfile=\"full\" height=\"150px\" version=\"1.1\" width=\"250px\" xml:space=\"preserve\" xmlns:rdkit=\"http://www.rdkit.org/xml\" xmlns:svg=\"http://www.w3.org/2000/svg\" xmlns:xlink=\"http://www.w3.org/1999/xlink\">\n",
       "<rect height=\"150\" style=\"opacity:1.0;fill:#ffffff;stroke:none\" width=\"250\" x=\"0\" y=\"0\"> </rect>\n",
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       "<path d=\"M 152.182,62.0219 152.182,44.7177\" style=\"fill:none;fill-rule:evenodd;stroke:#FF0000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 163.707,96.6302 171.2,100.956\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 171.2,100.956 178.693,105.282\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 208.665,105.282 223.65,96.6302\" style=\"fill:none;fill-rule:evenodd;stroke:#0000FF;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<path d=\"M 223.65,96.6302 238.636,87.9781\" style=\"fill:none;fill-rule:evenodd;stroke:#000000;stroke-width:2px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1\"/>\n",
       "<text style=\"font-size:17px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"57.5636\" y=\"120.582\"><tspan>[#6,#7,#8]</tspan></text>\n",
       "<text style=\"font-size:17px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#000000\" x=\"111.184\" y=\"94.626\"><tspan>[#6,#16]</tspan></text>\n",
       "<text style=\"font-size:17px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000\" x=\"116.959\" y=\"42.7135\"><tspan>[#8,#6]</tspan></text>\n",
       "<text style=\"font-size:17px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#0000FF\" x=\"161.916\" y=\"120.582\"><tspan>[#7,#6]</tspan></text>\n",
       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 71,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SVG(moltosvg(df[df.numAtoms<=6].iloc[3,3],kekulize=False,molSize=(250,150)))\n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Wrapping up"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "There's a lot more we can do with this set of scaffolds. There are more posts to come..."
   ]
  }
 ],
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