From 84be54f9ef8a9f380a3a4ef0f1a3c782acb71428 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Lukas=20Ra=C3=9Fpe-Lange?= <rasspe@win.ltt.rwth-aachen.de>
Date: Fri, 24 Nov 2023 14:12:13 +0100
Subject: [PATCH] added workspace

---
 workspace/Initialisation/Code/FIND.pl         |  2315 --
 workspace/Initialisation/Code/PRINT.pl        |   200 -
 workspace/Initialisation/Code/READ.pl         |  1178 -
 workspace/Initialisation/Code/SORT.pl         |   722 -
 workspace/Initialisation/Code/SPLIT.pl        |  1315 -
 workspace/Initialisation/Code/WRITE.pl        |   654 -
 .../Initialisation/Code/handle_MATfile.m      |    75 -
 workspace/Initialisation/Code/setting.in      |    64 -
 .../Initialisation/Code/setting_group.in      |    57 -
 workspace/Initialisation/Code/splitGroup.pl   |   198 -
 .../Code/utilities/u_add_number.pl            |    54 -
 .../Code/utilities/u_findSame.pl              |    99 -
 .../Code/utilities/u_mol2frag.pl              |   163 -
 .../Initialisation/Input/.screen.sdf.swp      |   Bin 12288 -> 0 bytes
 workspace/Initialisation/Input/23706.txt      | 23706 ----------------
 workspace/Initialisation/Input/test.mat       |   Bin 7884 -> 0 bytes
 workspace/Initialisation/Input/test.sdf       |   172 -
 workspace/Initialisation/Input/test.txt       |     6 -
 .../Manual/example_err/diff_USMILES           |    35 -
 workspace/Initialisation/Manual/structure.pdf |   Bin 429198 -> 0 bytes
 .../Initialisation/Manual/structure.vsdx      |   Bin 170072 -> 0 bytes
 workspace/Initialisation/Output/.log_lea      |    31 -
 workspace/Initialisation/Output/.start_USMI   |     6 -
 workspace/Initialisation/Output/custom.out    |    10 -
 workspace/Initialisation/Output/custom.sdf    |   536 -
 .../Initialisation/Output/mol_group_info.txt  |    82 -
 workspace/Initialisation/Output/screen.sdf    |   280 -
 workspace/Initialisation/Output/sdf/0_.sdf    |    49 -
 workspace/Initialisation/Output/sdf/1_.sdf    |    49 -
 workspace/Initialisation/Output/sdf/2_.sdf    |    49 -
 workspace/Initialisation/Output/sdf/3_.sdf    |    45 -
 workspace/Initialisation/Output/sdf/4_.sdf    |    46 -
 workspace/Initialisation/Output/sdf/5_.sdf    |    42 -
 workspace/Initialisation/Output/unique.sdf    |   167 -
 34 files changed, 32405 deletions(-)
 delete mode 100644 workspace/Initialisation/Code/FIND.pl
 delete mode 100644 workspace/Initialisation/Code/PRINT.pl
 delete mode 100644 workspace/Initialisation/Code/READ.pl
 delete mode 100644 workspace/Initialisation/Code/SORT.pl
 delete mode 100644 workspace/Initialisation/Code/SPLIT.pl
 delete mode 100644 workspace/Initialisation/Code/WRITE.pl
 delete mode 100644 workspace/Initialisation/Code/handle_MATfile.m
 delete mode 100644 workspace/Initialisation/Code/setting.in
 delete mode 100644 workspace/Initialisation/Code/setting_group.in
 delete mode 100644 workspace/Initialisation/Code/splitGroup.pl
 delete mode 100644 workspace/Initialisation/Code/utilities/u_add_number.pl
 delete mode 100644 workspace/Initialisation/Code/utilities/u_findSame.pl
 delete mode 100644 workspace/Initialisation/Code/utilities/u_mol2frag.pl
 delete mode 100644 workspace/Initialisation/Input/.screen.sdf.swp
 delete mode 100644 workspace/Initialisation/Input/23706.txt
 delete mode 100644 workspace/Initialisation/Input/test.mat
 delete mode 100644 workspace/Initialisation/Input/test.sdf
 delete mode 100644 workspace/Initialisation/Input/test.txt
 delete mode 100644 workspace/Initialisation/Manual/example_err/diff_USMILES
 delete mode 100644 workspace/Initialisation/Manual/structure.pdf
 delete mode 100644 workspace/Initialisation/Manual/structure.vsdx
 delete mode 100644 workspace/Initialisation/Output/.log_lea
 delete mode 100644 workspace/Initialisation/Output/.start_USMI
 delete mode 100644 workspace/Initialisation/Output/custom.out
 delete mode 100644 workspace/Initialisation/Output/custom.sdf
 delete mode 100644 workspace/Initialisation/Output/mol_group_info.txt
 delete mode 100644 workspace/Initialisation/Output/screen.sdf
 delete mode 100644 workspace/Initialisation/Output/sdf/0_.sdf
 delete mode 100644 workspace/Initialisation/Output/sdf/1_.sdf
 delete mode 100644 workspace/Initialisation/Output/sdf/2_.sdf
 delete mode 100644 workspace/Initialisation/Output/sdf/3_.sdf
 delete mode 100644 workspace/Initialisation/Output/sdf/4_.sdf
 delete mode 100644 workspace/Initialisation/Output/sdf/5_.sdf
 delete mode 100644 workspace/Initialisation/Output/unique.sdf

diff --git a/workspace/Initialisation/Code/FIND.pl b/workspace/Initialisation/Code/FIND.pl
deleted file mode 100644
index 464786e..0000000
--- a/workspace/Initialisation/Code/FIND.pl
+++ /dev/null
@@ -1,2315 +0,0 @@
-#!/usr/bin/perl
-
-print "FIND OK \n";
-
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-#       
-#               all subs about finding things
-#               - groups
-#               - cycles
-#
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-
-
-
-#=============================================================================#
-#
-#                                 about functional groups
-#
-#=============================================================================#
-
-sub find_group{
-
-# ----------
-#
-#    find which groups does a molecule/fragment have
-#
-# ----------
-    
-    &print_debug("find_group");
-    
-    # initialisation of variables
-    local ($if_print) = @_;
-    my $anotherC = '';    
-    
-    # to count
-    %nrGroup = {%iniGroup0};
-    
-    # to write
-    %combineGroup = {%iniGroup0};
-    
-    # to split
-    %groupAnchor = {%iniGroup0};
-    %groupAnchorG = {%iniGroup0};
-
-    $ngroup_single = 0;
-    $ngroup_multi = 0;
-    $ngroupAll = 0;
-    
-    # to remember the combination information of each group
-    @groupCYCanchor = '';
-    @groupCYCanchorG = '';
-    
-    
-    @groupOanchor = '';
-    @groupOanchorG = '';
-    
-    @groupCC3anchor = '';
-    @groupCC3anchorG = '';
-    
-    @groupCC2anchor = '';
-    @groupCC2anchorG = '';
-    
-    @groupCO2O1anchor = '';
-    @groupCO2O1anchorG = '';
-    
-    @groupCO2anchor = '';
-    @groupCO2anchorG = '';
-    
-    @groupCO2CO2anchor = '';
-    @groupCO2CO2anchorG = '';
-    
-    @groupCN3anchor = '';
-    @groupCN3anchorG = '';
-    
-    @groupNHHanchor = '';
-    @groupNHHanchorG = '';
-    
-    @groupNHanchor = '';
-    @groupNHanchorG = '';
-    
-    @groupNanchor = '';
-    @groupNanchorG = '';
-    
-    my $used = 0, $used_atoms = '-', $used_atoms_cycle = '-', $nrcycle = 0;
-    # read each atom to find groups
-    foreach $bi(1..$nbatom){
-    
-#         print "used atom: $used_atoms\n";
-       # print "$cycle_atoms_one++$bi\n";
-        
-        # find cycle
-        if(($cycle_atoms_one =~ /-$bi-/)){
-
-            foreach my $each_cycle(0..@cycle_one_mol-1){
-
-#                 print "each: $bi+++$cycle_one_mol[$each_cycle]\n";
-                
-                $cycle_one_mol[$each_cycle]= '-'.$cycle_one_mol[$each_cycle].'-';
-                
-                if(($cycle_one_mol[$each_cycle] =~ /-$bi-/) && ($used_atoms_cycle !~ /-$bi-/)){
-                
-                    $recordGroupA = $bi;
-                    $recordGroupG = '';
-                    $pnot = '';
-                    $pHX = '';
-                    
-                    @det = split(' ', $fonc[$bi]);
-                    @detF = split(' ',$ifonc[$bi]);
-                
-                   #print "@det\n@detF\n\n\n";
-                    
-                    foreach $k(0..@det-1){
-                        
-                        chomp($det[$k]);
-                        
-                        @det1 = split('-', $det[$k]);
-                        
-                        $recordGroupA = $recordGroupA.'-'.$detF[$k] if($det1[0] > 5);
-                        
-                     #   print "bi is: $bi $detF[$k] $det[$k] $used_atoms_cycle\n";
-                        
-                        if(($det1[0] < 5) && ($used_atoms_cycle!~ /-$detF[$k]-/)){
-                            
-                            if(($det[$k] eq '1-H') || ($det[$k] eq '1-X')){
-                                if ($pHX eq ''){
-                                    $pHX = $detF[$k];
-                                }
-                                else{
-                                    $pHX = $pHX.'-'.$detF[$k];
-                                }
-                            }
-                            else{
-                                if($pnot eq ''){
-                                    $pnot = $detF[$k];
-                                }
-                                else{
-                                    $pnot = $pnot.'-'.$detF[$k];
-                                }
-                            }
-                        }
-                    }
-            
-                    $recordGroupA = '' if ($pnot eq '');
-            
-                    #print "not is: $pnot\n";
-                    
-                    $used_atoms_cycle = $used_atoms_cycle.'-'.$pnot.'-';
-                    
-                  
-                    
-                    if($recordGroupA ne ''){
-                         
-                        $recordGroupA = $recordGroupA.'-'.$pHX if ($pHX ne '') ;
-
-                        
-                        if($pnot =~ /-/){
-                            
-                            @temp = split( '-', $pnot);
-                            
-                            @recordGroupA_tmp = '';
-                            
-                           # die if (@temp != 2);
-
-                            foreach $i_temp(0..@temp-1){
-                                
-                                $recordGroupA_tmp[$i_temp] = $recordGroupA; 
-                                
-                                @det = split(' ', $fonc[$temp[$i_temp]]);
-                                @detF = split(' ',$ifonc[$temp[$i_temp]]);
-
-                                
-                                if ($recordGroupG eq ''){
-                                    $recordGroupG = $temp[$i_temp];
-                                }
-                                else{
-                                    $recordGroupG = $recordGroupG.'+'.$temp[$i_temp];                                
-                                }
-                                
-                               
-                                
-                                foreach $k(0..@det-1){
-				    my $tmp_record = '-'.$recordGroupG.'-';
-				    
-                                    $recordGroupG = $recordGroupG.'-'.$detF[$k] if(($detF[$k] != $bi) && (($det[$k] ne '1-X') ) && ($tmp_record !~ /-$detF[$k]-/));
-                                }
-                                
-                                foreach $i_temp2(0..@temp-1){
-                                    $recordGroupA_tmp[$i_temp] = $recordGroupA.'-'.$temp[$i_temp2] if($i_temp2 != $i_temp);
-                                }
-                                
-                                
-                            }
-                            
-                            $recordGroupA=join('+', @recordGroupA_tmp);
-                        }
-                        else{
-			  
-			    
-			     
-                            $recordGroupG = $pnot;
-                            @det = split(' ', $fonc[$recordGroupG]);
-                            @detF = split(' ',$ifonc[$recordGroupG]);
-                            
-                          
-                            foreach $k(0..@det-1){
-				
-				my $tmp_record = '-'.$recordGroupG.'-';
-				
-                                $recordGroupG = $recordGroupG.'-'.$detF[$k] if(($detF[$k] != $bi) && ($tmp_record !~ /-$detF[$k]-/));
-                                
-#                                 print "test:\n$detF[$k]\n$recordGroupG \n\n";
-				$tmp_record = '';
-                            }
-                        }
-
-#                         print "hier:$each_cycle\n$recordGroupA\n$recordGroupG\n";
-                        
-                        if($funcGroup{'cycle'}){
-                            if ($groupCYCanchor[$nrcycle]eq ''){
-                                
-                                $groupCYCanchor[$nrcycle] = $recordGroupA;
-                                $groupCYCanchorG[$nrcycle] = $recordGroupG;
-                            }
-                            else{
-                                $groupCYCanchor[$nrcycle] =$groupCYCanchor[$nrcycle].'+'.$recordGroupA;
-                                $groupCYCanchorG[$nrcycle] = $groupCYCanchorG[$nrcycle].'+'.$recordGroupG;
-                            }
-                        
-                            $groupAnchor{'cycle'} = join('#', @groupCYCanchor);
-                            $groupAnchorG{'cycle'} = join('#',@groupCYCanchorG );
-                            
-                            
-                                
-                            $car = $groupAnchor{'cycle'};
-                            $nrGroup{'cycle'} = $car =~ s/#/#/g;
-                            $nrGroup{'cycle'}++;
-                            
-                            $nrcycle++;
-                        
-                        }
-#                         print "cycle:$groupAnchor{'cycle'}\n$groupAnchorG{'cycle'}\n$nrGroup{'cycle'}\n";
-                    }   
-                }
-            }
-        }
-        
-        if ($atom[$bi] eq 'C'){
-            
-            # find C(=O)O
-            if(($fonc[$bi] =~ / 2-O /) && ($fonc[$bi] =~ / 1-O /) && (($fonc[$bi] =~ / 1-C /) || ($fonc[$bi] =~ / 1-H /) )){
-                
-                $used = 0;
-                
-                @det  = split(' ', $fonc[$bi]);
-                @detF = split(' ',$ifonc[$bi]);
-                
-                $pO2 = '';
-                $pO1 = '';
-                $pO2O1not = '';
-                
-                # find (=O) and (O)
-                foreach $k(0..@det-1){
-                    
-                    if($det[$k] eq '2-O'){
-                        $pO2 = $detF[$k];
-                        $used = 1 if ($atom[$pO2] eq '');
-                        $atom[$pO2]='';
-                    }
-                    elsif($det[$k] eq '1-O'){
-                        $pO1 = $detF[$k];
-                        $used = 1 if ($atom[$pO1] eq '');
-                        $atom[$pO1]='';
-                    }
-                    else{
-                        if ($pO2O1not eq ''){
-                            $pO2O1not = $detF[$k];
-                        }
-                        else{
-                            $pO2O1not = $pO2O1not.'-'.$detF[$k];
-                        }
-                    }
-                }
-                
-                
-                @det1=split(' ', $fonc[$pO1]);
-                $k_c = 0;
-                
-                foreach $k(0..@det1-1){
-                    chmod($det1[$k]);
-                    $k_c++ if (($det1[$k] eq '1-C') || ($det1[$k] eq '1-H') || ($det1[$k] eq '1-X'));
-                }
-                
-                if (($k_c eq @det1) && ($used == 0)){
-                
-                    $recordGroupA = $pO2.'-'.$pO1;
-                    $recordGroupG = '';    
-                    
-                    $endj = 1;
-                    $bi1 = $bi;
-                    $if_COOH = 0;
-                    
-                    # if the atom (O) combines with atom (H) or atom (X)
-                    if($fonc[$pO1] =~ / 1-X /){
-                        $endj = 0;   
-                    }
-                    elsif($fonc[$pO1] =~ / 1-H /){
-                        $endj = 0;
-                        $if_COOH = 1;
-                    }
-                    # if the molecule/fragment is HC(=O)OH, HC(=O)OX, XC(=O)OH,  XC(=O)OX
-                    if(($endj == 0) && (($fonc[$bi] =~ / 1-H /) || ($fonc[$bi] =~ / 1-X /))){
-                        $endj = -1; 
-                        &print_findgroup("C(=O)O")if ($if_print && $funcGroup{'C(=O)O'} && (!$if_COOH));
-                        &print_findgroup("C(=O)OH")if ($if_print && $funcGroup{'C(=O)OH'} && $if_COOH);
-                    }
-                    
-                    # if the molecule/fragment is HC(=O)O..., XC(=O)O... (... means not H or X atom)
-                    if(($endj == 1) && (($fonc[$bi] =~ / 1-H /) || ($fonc[$bi] =~ / 1-X /))){
-                        
-                        $endj = 0;
-                        $bi1 = $pO1;
-
-                        @det1=split(' ', $fonc[$pO1]);
-                        @detF1=split(' ',$ifonc[$pO1]);
-                        
-                        foreach my $k(0..@det1-1){
-                            $pO2O1not = $detF1[$k] if ($detF1[$k] ne $bi); 
-                        }
-                        
-                        $recordGroupA = $bi;
-                    }
-
-                    # remember the information of combination
-                    foreach my $j(0..$endj){
-
-                        if($j>0){
-                            
-                            $bi1 = $pO1;
-                            
-                            @det1=split(' ', $fonc[$pO1]);
-                            @detF1=split(' ',$ifonc[$pO1]);
-                        
-                            foreach my $k(0..@det1-1){
-                                $pO2O1not = $detF1[$k] if ($detF1[$k] ne $bi); 
-                            }
-                            
-                            $recordGroupG = '';
-                            $recordGroupA = $bi;
-                        }
-
-                        @det1=split(' ', $fonc[$pO2O1not]);
-                        @detF1=split(' ',$ifonc[$pO2O1not]);
-                    
-                    
-                        foreach $k(0..@det1-1){
-                    
-                            if($detF1[$k] ne $bi1){
-                        
-                                if ($recordGroupG eq ''){
-                                    $recordGroupG = $detF1[$k];
-                                }
-                                else{
-                                    $recordGroupG= $recordGroupG.'-'.$detF1[$k];
-                                }
-                            }
-                        }
-
-                        if($if_COOH && $funcGroup{'C(=O)OH'}){
-
-                            if($used_atoms !~ /-$bi-/ ){
-                                
-                                $used_atoms = $used_atoms.'-'.$pO2O1not.'-';
-                                
-                                $recordGroupA = $bi1."-".$recordGroupA;
-                                $recordGroupG = $pO2O1not."-".$recordGroupG;
-                                
-                                if($groupAnchor{'C(=O)OH'} eq ''){
-                                    $groupAnchor{'C(=O)OH'} = $recordGroupA;
-                                    $groupAnchorG{'C(=O)OH'}= $recordGroupG;
-                                }
-                                else{
-                        
-                                    $groupAnchor{'C(=O)OH'} = $groupAnchor{'C(=O)OH'}.'#'.$recordGroupA;
-                                    $groupAnchorG{'C(=O)OH'}= $groupAnchorG{'C(=O)OH'}.'#'.$recordGroupG;
-                        
-                                }
-                        
-                                $nrGroup{'C(=O)OH'}++;
-                                
-                                $ngroup_single++;
-                                $ngroupAll++;
-                            }
-                            &print_findgroup("C(=O)OH")if ($if_print);
-                            
-                     #       print "COOH: $groupAnchor{'C(=O)OH'}\n$groupAnchorG{'C(=O)OH'}\n$used_atoms\n";
-                        }
-                        else{
-                            
-                            $used_atoms = $used_atoms.'-'.$bi1.'-'.$recordGroupA;
-                             
-                            if ($groupCO2O1anchor[$nrGroup{'C(=O)O'}] eq ''){
-                            
-                                $groupCO2O1anchor[$nrGroup{'C(=O)O'}]=$bi1."-".$recordGroupA;
-                                $groupCO2O1anchorG[$nrGroup{'C(=O)O'}]=$pO2O1not."-".$recordGroupG;
-                            
-                            }
-                            else{
-                            
-                                $groupCO2O1anchor[$nrGroup{'C(=O)O'}]=$groupCO2O1anchor[$nrGroup{'C(=O)O'}].'+'.$bi1."-".$recordGroupA;
-                                $groupCO2O1anchorG[$nrGroup{'C(=O)O'}]=$groupCO2O1anchorG[$nrGroup{'C(=O)O'}].'+'.$pO2O1not."-".$recordGroupG;
-                            }
-                        }
-                        $record_atoms = $record_atoms.' '.$groupCO2O1anchor[$nrGroup{'C(=O)O'}].' ';
-                    }
-
-                    if (($endj ne -1) && (!$if_COOH)){
-                            
-                        if($funcGroup{'C(=O)O'}){
-#                             $ngroupCO2O1++;
-                            $nrGroup{'C(=O)O'}++;
-                               
-                            $groupAnchor{'C(=O)O'} = join('#', @groupCO2O1anchor);
-                            $groupAnchorG{'C(=O)O'} = join('#',@groupCO2O1anchorG);   
-
-                            $ngroup_multi++;
-                            $ngroupAll++;
-                         }   
-                            &print_findgroup("C(=O)O")if ($if_print);
-                    }
-                }
-                $used = 0;
-            }
-            # find C(=O)N
-#             elsif(($fonc[$bi]=~/ 2-O /)&&($fonc[$bi]=~/ 1-N /)& (($fonc[$bi] =~ / 1-C /) || ($fonc[$bi] =~ / 1-H /))){
-#                 warn "Warning: Find group C(=O)N, which is not defined.\n\n\n" if($used_atoms !~ /-$bi-/);
-#             }
-            
-            # find C(=O)C(=O) or C=O 
-            elsif(($fonc[$bi]=~/ 2-O /) && ($used_atoms !~ /-$bi-/)){
-
-                # how many C and H/X does atom bi combine with
-                $car = $fonc[$bi];
-                $nccC = $car =~ s/ 1-C / 1-C /g;
-                $nccH = $car =~ s/ 1-H / 1-H /g;
-                $nccX = $car =~ s/ 1-X / 1-X /g;
-                
-                $nccH = $nccH + $nccX;
-                
-                @det=split(' ', $fonc[$bi]);
-                @detF=split(' ',$ifonc[$bi]);
-                
-                $findCO2CO2 = 0;
-                $noread = 1;
-                
-                # if atom $bi combines more than one 1-C...
-
-                if($nccC > 1){
-                    foreach $k(0..@det-1){
-                        if(($det[$k] eq '1-C') && ($fonc[$detF[$k]] =~ / 2-O /)){
-                            
-                            # find another C=O
-                            $car = $fonc[$detF[$k]];
-                            $nccC = $car =~ s/ 1-C / 1-C /g;
-                            $findCO2CO2++ if ($nccC > 1);
-                            $noread = 0 if ($nccC == 1);
-                        }
-                    }
-                }
-                elsif(($nccC == 1) && ($nccH == 1)){
-                    
-                    foreach $k(0..@det-1){
-                    
-                        if(($det[$k] eq '1-C') && ($fonc[$detF[$k]] =~ / 2-O /)){
-                            
-                            $car = $fonc[$detF[$k]];
-                        
-                            $nccC = $car =~ s/ 1-C / 1-C /g;
-                            $noread = 0 if ($nccC == 1);
-                            
-                        }
-                    }
-                }
-                
-#                 print "$findCO2CO2\t$funcGroup{CO2}\t$funcGroup{CO2CO2}\t$noread\n";
-                
-                $findCO2CO2 = 0 if (($funcGroup{'C(=O)C=O'} == 0) && ($findCO2CO2 == 1));
-
-                if($findCO2CO2 > 1 ){
-                    warn "Warning: There is a C(=O)C(=O)C(=O)\n" if($findCO2CO2 > 1);
-                }
-                elsif(($findCO2CO2 == 1) && ($nccH < 1)){
-                    
-                    # find C(=O)C(=O) 
-                    
-                    # remember combination information
-
-                    $pO2 = '';
-                    $pO2H = '';
-                    $pO2not = '';
-                    
-                    $pC = '';
-                    $pCO2 = '';
-                    $pCO2H = '';
-                    $pCO2not = '';
-
-                    foreach $k(0..@det-1){
-                        
-                        chomp($det[$k]);
-                     
-                        if($used_atoms !~ /-$detF[$k]-/){
-                        
-                                if($det[$k] eq '2-O'){  
-                                    $pO2 = $detF[$k];
-                                }
-                                elsif(($det[$k] eq '1-C') && ($fonc[$detF[$k]] =~ / 2-O /)){
-                                    
-                                
-                                    
-                                    $pC = $detF[$k];
-                                    $atom[$bi]='';
-                                    $atom[$pC]='';
-                                    
-                                    @det1=split(' ', $fonc[$detF[$k]]);
-                                    @detF1=split(' ',$ifonc[$detF[$k]]);
-
-                                    foreach $k1(0..@det1-1){
-                                        
-                                        if($det1[$k1] eq '2-O'){ 
-                                            $pCO2 = $detF1[$k1];
-                                
-                                        }
-                                        elsif(($detF1[$k1] ne $bi) && ($det1[$k1] eq '1-C' )){
-                                            $pCO2not = $detF1[$k1];
-                                        }
-                                        elsif(($detF1[$k1] ne $bi) && (($det1[$k1] eq '1-H')||($det1[$k1] eq '1-X'))){
-                                            $pCO2H = $detF1[$k1];
-                                        }
-                                    }
-                                    
-                                  #  print "k is $detF[$k]\n$fonc[$detF[$k]],$pCO2not\n";
-                                }
-                                else{
-                                    if($pO2not eq ''){
-                                    
-                                        $pO2not = $detF[$k];
-                                    }
-                                    else{
-                                        $pO2not = $pO2not.'-'.$detF[$k];
-                                    }
-                                }
-                                
-                        }
-                        else{
-                            $findCO2CO2 = 0;
-                        }
-                    }
-                    
-                    
-                    if($findCO2CO2){
-                    $recordGroupA = '';
-                    $recordGroupG = '';
-
-                    $endj = 1;
-                    $endj = 0 if ($pCO2H ne '');
-
-                    $recordGroupA =  $pO2.'-'.$pC;
-                    
-                    $bi1 = $bi;
-                    
-                  #  print "hier:$endj,not $pCO2not,$pCO2H, $bi,$pC\n";
-                    
-                    foreach my $j(0..$endj){
-                        
-                        if($j > 0){
-                            $pO2not = $pCO2not;
-                            $bi1 = $pC;
-                            $recordGroupA = $pCO2.'-'.$bi;
-                        }
-                        
-                        @det1=split(' ', $fonc[$pO2not]);
-                        @detF1=split(' ',$ifonc[$pO2not]);
-                                    
-                        $recordGroupG = '';
-                                
-                        foreach $k(0..@det1-1){
-                    
-                            if($detF1[$k] ne $bi1){
-                    
-                                if ($recordGroupG eq ''){
-                                    $recordGroupG = $detF1[$k];
-                                }
-                                else{
-                                    $recordGroupG= $recordGroupG.'-'.$detF1[$k];
-                                }
-                            }
-                        }
-                            
-                        if ($groupCO2CO2anchor[$nrGroup{'C(=O)C=O'}] eq ''){
-            
-                            $groupCO2CO2anchor[$nrGroup{'C(=O)C=O'}]=$bi1."-".$recordGroupA;
-                            $groupCO2CO2anchorG[$nrGroup{'C(=O)C=O'}]=$pO2not."-".$recordGroupG;
-            
-                        }
-                        else{
-            
-                            $groupCO2CO2anchor[$nrGroup{'C(=O)C=O'}]=$groupCO2CO2anchor[$nrGroup{'C(=O)C=O'}].'+'.$bi1."-".$recordGroupA;
-                            $groupCO2CO2anchorG[$nrGroup{'C(=O)C=O'}]=$groupCO2CO2anchorG[$nrGroup{'C(=O)C=O'}].'+'.$pO2not."-".$recordGroupG;
-                        }
-                        
-                        $used_atoms = $used_atoms.'-'.$bi1.'-'.$recordGroupA;
-                    }
-                    
-                    if($funcGroup{'C(=O)C=O'}){
-                        
-                        $nrGroup{'C(=O)C=O'}++;
-                        
-                        $groupAnchor{'C(=O)C=O'} = join('#', @groupCO2CO2anchor);
-                        $groupAnchorG{'C(=O)C=O'} = join('#',@groupCO2CO2anchorG);   
-                            
-                        $ngroup_multi++;
-                        $ngroupAll++;
-                        &print_findgroup("C(=O)C(=O)")if ($if_print);
-                    }
-                    
-                    }
-                }
-                elsif(($findCO2CO2 == 0) && ($funcGroup{'C=O'}) && ($noread == 1)){
-
-                    $pO2 = '';
-                    $pO2H = '';
-                    $pO2not = '';
-
-                    if($nccH == 2){
-                        
-                      #  if($funcGroup{'C=O'}){
-                            #$ngroupCO2++;
-                            #$nrGroup{'C=O'}++;
-                            &print_findgroup("C=O")if ($if_print);
-                       # }
-                    }
-                    else{
-                        if(($nccC == 2)||(($nccH == 1) && ($nccC == 1))){
-
-                            foreach $k(0..@det-1){
-                                if($det[$k] eq '2-O'){  
-                                    $pO2 = $detF[$k];
-                                }
-                                elsif(($det[$k] eq '1-H') || ($det[$k] eq '1-X')){
-                                    $pO2H= $detF[$k];
-                                }
-                                else{
-                                    if($pO2not eq ''){
-                                        $pO2not = $detF[$k];
-                                    }
-                                    else{
-                                        $pO2not = $pO2not.'-'.$detF[$k];
-                                    }
-                                }
-                            }
-
-                            $recordGroupA = '';
-                            $recordGroupG = '';
-                        
-                            $endj = 1;
-                            @pO2not1 = split('-',$pO2not);
-                            
-                            if ($nccH == 1){
-                                $endj = 0;
-                                $recordGroupA = $pO2.'-'.$pO2H;
-                            }
-                            else{
-                            
-                                $recordGroupA = $pO2.'-'.$pO2not1[@pO2not1-1];
-                            }
-                            $bi1 = $bi;
-
-                            foreach my $j(0..$endj){
-                                
-                                if($j > 0){
-                                    $recordGroupA = $pO2.'-'.$pO2not1[0];
-                                }
-                                
-                                @det1=split(' ', $fonc[$pO2not1[$j]]);
-                                @detF1=split(' ',$ifonc[$pO2not1[$j]]);
-                                    
-                                $recordGroupG = '';
-                                
-                                foreach $k(0..@det1-1){
-
-                                    if($detF1[$k] != $bi1){
-                    
-                                        if ($recordGroupG eq ''){
-                                            $recordGroupG = $detF1[$k];
-                                        }
-                                        else{
-                                            $recordGroupG= $recordGroupG.'-'.$detF1[$k];
-                                        }
-                                    }
-                                }
-                            
-                                if ($groupCO2anchor[$nrGroup{'C=O'}] eq ''){
-                    
-                                    $groupCO2anchor[$nrGroup{'C=O'}]=$bi1."-".$recordGroupA;
-                                    $groupCO2anchorG[$nrGroup{'C=O'}]=$pO2not1[$j]."-".$recordGroupG;
-                    
-                                }
-                                else{
-                    
-                                    $groupCO2anchor[$nrGroup{'C=O'}]=$groupCO2anchor[$nrGroup{'C=O'}].'+'.$bi1."-".$recordGroupA;
-                                    $groupCO2anchorG[$nrGroup{'C=O'}]=$groupCO2anchorG[$nrGroup{'C=O'}].'+'.$pO2not1[$j]."-".$recordGroupG;
-                                }
-                                
-                                $used_atoms = $used_atoms.'-'.$bi1.'-'.$recordGroupA;
-                            }
-                            
-                       #     if($funcGroup{'C=O'}){
-                                
-#                                 $ngroupCO2++;
-                                $nrGroup{'C=O'}++;
-                                
-                                $groupAnchor{'C=O'} = join('#', @groupCO2anchor);
-                                $groupAnchorG{'C=O'} = join('#',@groupCO2anchorG);   
-                            
-                                $ngroup_multi++;
-                                $ngroupAll++;
-                                &print_findgroup("C=O")if ($if_print);
-                                
-                             #   print "@groupCO2anchor\n@groupCO2anchorG\n";
-                        #    }
-                            
-                        }
-                    }       
-                
-                
-                }
-            }
-            
-            # find C+C
-            elsif(($fonc[$bi]=~/ 3-C /) && ($fonc[$bi] !~ / 1-H /) && ($fonc[$bi] !~ / 1-X /)){
-
-                @det = split(' ', $fonc[$bi]);
-                @detF = split(' ', $ifonc[$bi]);
- 
-                $pCC3 = '';
-                $pCC3Not = '';
-
-                foreach $k(0..@det-1){
-                    
-                    chomp($det[$k]);
-                    
-                    if ($det[$k] eq '3-C'){
-                       
-                        if ($pCC3 eq ''){
-                            
-                            $pCC3 = $detF[$k];
-                        }
-                        else{
-                            
-                            $pCC3 =$pCC3.'-'.$detF[$k];
-                        }
-                    }
-                    else{
-
-                        if ($pCC3Not eq ''){
-                            $pCC3Not = $detF[$k];
-                        }
-                        else{
-                            $pCC3Not =$pCC3Not.'-'.$detF[$k];
-                        }
-                    }
-                }
-           
-                $recordGroup = '';
-
-                my $findSameAtom = 0;
-                my @tempFindSame = '';
-                
-                for $i(0..@groupCC3anchor-1){
-                
-                    @tempFindSame = split('\-|\+', $groupCC3anchor[$i]);
-
-                    if($tempFindSame[1] == $bi){
-                        $findSameAtom = 1;
-                        last;
-                    }
-                }
-
-                $endj = 1;
-                
-                $endj = 0 if(($fonc[$pCC3] =~ / 1-H /) || ($fonc[$pCC3] =~ / 1-X /));
-
-                if(!$findSameAtom){
-                    my $bi1 = $bi;
-                
-                    foreach my $j(0..$endj){
-                    
-                        if($j>0){
-                        
-                            $pCC3 = '';
-                            $pCC3Not = '';
-                        
-                            foreach $k(0..@det-1){
-                    
-                                if ($det[$k] eq '3-C'){
-                                    $pCC3 =$pCC3.'-'.$k;
-                                }
-                                else{
-                                    $pCC3Not =$pCC3Not.'-'.$k;
-                                }
-                            }
-                    
-                            $recordGroup = '';
-                            $pCC3 = $detF[$pCC3];
-                            $pCC3Not = $detF[$pCC3Not];
-                        }
-                    
-                        @det1 = split(' ', $fonc[$pCC3Not]);
-                        @detF1 = split(' ', $ifonc[$pCC3Not]);
-                
-                        foreach $k(0..@det1-1){
-                    # print ("bi is $bi\n");
-                            if($detF1[$k] ne $bi1){
-                                if ($recordGroup eq ''){
-                                    $recordGroup=$detF1[$k];
-                                }
-                                else{
-                                    $recordGroup= $recordGroup.'-'.$detF1[$k];
-                                }
-
-                            }
-                        }
-                        if ($groupCC3anchor[$nrGroup{'C+C'}] eq ''){
-                            $groupCC3anchor[$nrGroup{'C+C'}]=$bi1."-".$pCC3;
-                            $groupCC3anchorG[$nrGroup{'C+C'}]=$pCC3Not."-".$recordGroup;
-                        }
-                        else{
-                            $groupCC3anchor[$nrGroup{'C+C'}]=$groupCC3anchor[$nrGroup{'C+C'}].'+'.$bi1."-".$pCC3;
-                            $groupCC3anchorG[$nrGroup{'C+C'}]=$groupCC3anchorG[$nrGroup{'C+C'}].'+'.$pCC3Not."-".$recordGroup;
-                        }
-                        
-                        @det = split(' ', $fonc[$pCC3]);
-                        @detF = split(' ', $ifonc[$pCC3]);
-                        $bi1 = $pCC3;
-
-                    }
-                    
-                   if($funcGroup{'C+C'}){
-                        
-                       # print "@groupCC3anchor\n@groupCC3anchorG\n";
-#                         $ngroupCC3++;
-                        $nrGroup{'C+C'}++;
-                        
-                        $groupAnchor{'C+C'} = join('#', @groupCC3anchor);
-                        $groupAnchorG{'C+C'} = join('#',@groupCC3anchorG);   
-                            
-                        $ngroup_multi++;
-                        $ngroupAll++;
-                        &print_findgroup("C+C")if ($if_print);
-                    }
-                    
-                }            
-            }
-            
-            # find C=C
-            elsif($fonc[$bi]=~/ 2-C / && ($bi != $anotherC)){
-                
-                $car=$fonc[$bi];
-                $nocc=$car=~s/ 2-C / 2-C /g;
-
-                my $noccH=$car=~s/ 1-H | 1-X / 1-H /g;
-                
-                if(($nocc == 1) && ($noccH != 2)){
-                    
-                    @det=split(' ', $fonc[$bi]);
-                    @detF=split(' ',$ifonc[$bi]);
-    
-                    $pCC2 = '';
-                    $pCC2H = '';
-                    $pCC2Not = '';
-                 
-                    foreach $k(0..@det-1){
-                        
-                        chomp($detF[$k]);
-                        
-                        if ($det[$k] eq '2-C'){
-                                #print("hierhier is $pCC2 \n");
-                            $pCC2 =$detF[$k];
-                            
-                                #print("hierhier is $pCC2 \n");
-                        }
-                        elsif(($det[$k] eq '1-H') || ($det[$k] eq '1-X') ){
-                            $pCC2H = $detF[$k];
-                            
-                        }
-                        elsif(($det[$k] ne '1-H') && ($det[$k] ne '2-C') && ($det[$k] ne '1-X')){
-                            if ($pCC2Not eq ''){
-                                $pCC2Not = $detF[$k];
-                            }
-                            else{
-                                $pCC2Not =$pCC2Not.'-'.$detF[$k];
-                            }
-                        }
-                    }
-                    
-                    $car = $fonc[$pCC2];
-                    $nocc = $car =~ s/ 2-C / 2-C /g;
-
-                    if ($nocc == 1){    
-                        
-                        $anotherC = $pCC2;
-                        $recordGroup = '';
-
-                        my $findSameAtom = 0;
-                        my $findCombineAtom = 0;
-                        my @tempFindSameAnchor = '';
-                        my @tempFindSameAnchor1 = '';
-
-                        for $i(0..@groupCC2anchor-1){
-                        
-                            @tempFindSameAnchor = split('\+', $groupCC2anchor[$i]);
-
-                            
-                            foreach $j(0..@tempFindSameAnchor-1){
-                                
-                                @tempFindSameAnchor1 = split('\-', $tempFindSameAnchor[$i]);
-                                
-                                if(($bi == $tempFindSameAnchor1[1])){
-                                    $findSameAtom = 1;
-                                    last;
-                                }
-                                
-                            }
-                        }
-
-                        $car = $fonc[$pCC2];
-                        $nocc1 = $car =~ s/ 1-H | 1-X / 1-H /g;
-
-                        $car = $fonc[$bi];
-                        $nocc2 = $car =~ s/ 1-H | 1-X / 1-H /g;
-                        
-        
-                        $nocc = $nocc1  + $nocc2;
-
-                        $endj = 0 if ($nocc1 == 2);
-                        $endj = 1 if ($nocc1 < 2);;
-                        
-                        if(!$findSameAtom){
-                            my $bi1 = $bi;
-                            
-                            foreach my $j(0..$endj){
-                            
-                                if($j>0){
-                                
-                                    $pCC2 = '';
-                                    $pCC2H = '';
-                                    $pCC2Not = '';
-                                
-                                    foreach $k(0..@det-1){
-                            
-                                        if ($det[$k] eq '2-C'){
-                                            $pCC2 =$detF[$k];
-                                        }
-                                        elsif(($det[$k] eq '1-H') || ($det[$k] eq '1-X')) {
-                                                $pCC2H = $detF[$k];
-                                        }
-                                        elsif($det[$k] =~ /1-/){
-                                            
-                                            if ($pCC2Not eq ''){
-                                                $pCC2Not = $detF[$k];
-                                            }
-                                            else{
-                                                $pCC2Not =$pCC2Not.'-'.$detF[$k];
-                                            }
-                                        }
-                                        else{
-                                            die "\nErr: The combination of atom $atom[$bi] is not defined!\n\n\n";
-                                        }
-                                    }
-                                }
-                                
-                                my @pCC2Not1 = split('-', $pCC2Not);
-                                
-                                
-                                foreach my $ipCC2Not1(0..@pCC2Not1-1){
-                                    
-                                    $recordGroup = '';
-                                    $recordGroup1 = '';
-                                    
-                                    @det1 = split(' ', $fonc[$bi1]);
-                                    @detF1 = split(' ', $ifonc[$bi1]);
-
-                                    foreach $k(0..@det1-1){
-                                # print ("bi is $bi\n");
-                                        if($detF1[$k] ne $pCC2Not1[$ipCC2Not1]){
-                                            
-                                            if ($recordGroup1 eq ''){
-                                                $recordGroup1=$detF1[$k];
-                                            }
-                                            else{
-                                                $recordGroup1= $recordGroup1.'-'.$detF1[$k];
-                                            }
-                                        #print("$k\t$detNot1[$k]\n");
-                                        }
-                                    }
-                                    
-                                    @det1 = split(' ', $fonc[$pCC2Not1[$ipCC2Not1]]);
-                                    @detF1 = split(' ', $ifonc[$pCC2Not1[$ipCC2Not1]]);
-
-                                    foreach $k(0..@det1-1){
-                                # print ("bi is $bi\n");
-                                        if($detF1[$k] ne $bi1){
-                                            if ($recordGroup eq ''){
-                                                $recordGroup=$detF1[$k];
-                                            }
-                                            else{
-                                                $recordGroup= $recordGroup.'-'.$detF1[$k];
-                                            }
-                                        #print("$k\t$detNot1[$k]\n");
-                                        }
-                                    }
-                                    
-                                    if ($groupCC2anchor[$nrGroup{'C=C'}] eq ''){
-                                        
-                                        $groupCC2anchor[$nrGroup{'C=C'}]=$bi1."-".$recordGroup1;
-
-                                        $groupCC2anchorG[$nrGroup{'C=C'}]=$pCC2Not1[$ipCC2Not1]."-".$recordGroup;
-                                        
-                                    }
-                                    else{
-                                        
-                                        $groupCC2anchor[$nrGroup{'C=C'}]=$groupCC2anchor[$nrGroup{'C=C'}].'+'.$bi1."-".$recordGroup1;
-                                    
-                                        $groupCC2anchorG[$nrGroup{'C=C'}]=$groupCC2anchorG[$nrGroup{'C=C'}].'+'.$pCC2Not1[$ipCC2Not1]."-".$recordGroup;
-                                    }
-                                    
-                                    $used_atoms = $used_atoms.'-'.$bi1.'-'.$recordGroup1;
-#                                     print("CC2 $groupCC2anchor[$nrGroup{'C=C'}] $groupCC2anchorG[$nrGroup{'C=C'}]\n");
-                                }
-                                
-                                @det = split(' ', $fonc[$pCC2]);
-                                @detF = split(' ', $ifonc[$pCC2]);
-                                $bi1 = $pCC2;
-                            }   
-                        }
-                        
-                          if($funcGroup{'C=C'}){ 
-
-#                             $ngroupCC2++;
-                            $nrGroup{'C=C'}++;
-                            
-                            $groupAnchor{'C=C'} = join('#', @groupCC2anchor);
-                            $groupAnchorG{'C=C'} = join('#',@groupCC2anchorG);   
-                            
-                            $ngroupAll++;
-                            $ngroup_multi++;
-                         #   print "@groupCC2anchor\n@groupCC2anchorG\n";
-                            
-                            &print_findgroup("C=C")if ($if_print);
-                        }
-                    }
-                }
-                elsif($nocc eq 2){
-                     warn "Warning: C=C=C is not defined!\n"; 
-                }
-            } 
-        
-            # find CH3
-            elsif($fonc[$bi]=~/ 1-H /){
-
-                $car = $fonc[$bi];
-                $nccH = $car =~ s/ 1-H / 1-H /g;
-                $nccX = $car =~ s/ 1-X / 1-X /g;
-
-                if (($nccH == 3) && ($nccX != 1)){
-
-                    @det=split(' ', $fonc[$bi]);
-                    @detF=split(' ',$ifonc[$bi]);
-                    
-                    $pH = '';
-                    $pHnot = '';
-                    
-                    $recordGroupG = '';
-                    $recordGroupA = '';
-                    
-                    foreach $k(0..@det-1){
-                        if(($det[$k] eq '1-H') || ($det[$k] eq '1-X')){
-                            
-                            if($pH eq ''){
-                                $pH = $detF[$k];
-                            }
-                            else{
-                                $pH = $pH.'-'.$detF[$k];
-                            }
-                        }
-                        else{
-                            $pHnot = $detF[$k];
-                        }
-                    }
-                    
-                    $recordGroupG = $pHnot;
-                    $recordGroupA = $bi.'-'.$pH;
-                    
-                   
-                    @det=split(' ', $fonc[$pHnot]);
-                    @detF=split(' ',$ifonc[$pHnot]);
-                    
-                    foreach $k(0..@det-1){
-                        if ($detF[$k] ne $bi){
-                            $recordGroupG = $recordGroupG.'-'.$detF[$k];
-                        }
-                    }
-                
-                    if($funcGroup{'C(H)(H)H'}){
-                        
-                        if($used_atoms !~ /-$bi-/ ){
-                            
-                            $used_atoms = $used_atoms.'-'.$pHnot.'-';
-                            
-                            if($groupAnchor{'C(H)(H)H'} eq ''){
-                                $groupAnchor{'C(H)(H)H'} = $recordGroupA;
-                                $groupAnchorG{'C(H)(H)H'}= $recordGroupG;
-                            }
-                            else{
-                    
-                                $groupAnchor{'C(H)(H)H'} = $groupAnchor{'C(H)(H)H'}.'#'.$recordGroupA;
-                                $groupAnchorG{'C(H)(H)H'}= $groupAnchorG{'C(H)(H)H'}.'#'.$recordGroupG;
-                    
-                            }
-                    
-                            $nrGroup{'C(H)(H)H'}++;
-#                             $combineGroup{'C(H)(H)H'} = $groupAnchor{'C(H)(H)H'};
-#                             $combineGroup{'C(H)(H)H'} =~s/&/ /g;
-                            
-                            $ngroup_single++;
-                            $ngroupAll++;
-                        }
-                        
-                        &print_findgroup("CH3")if ($if_print);
-                    }
-
-                }
-            }
-            
-            # find C+N
-            elsif(($fonc[$bi]=~/ 3-N /) && ($fonc[$bi] !~/ 1-X /)){
-                
-                $pg = '';
-                $pgnot = '';
-                    
-                @det=split(' ', $fonc[$bi]);
-                @det1=split(' ',$ifonc[$bi]);
- 
-                $recordGroupG = '';
-                $recordGroupA = '';
-                
-                local $need_to_split = 0;
-                
-                foreach $k(0..@det-1){
-                    
-                    if($det[$k] eq '3-N'){
-                        $pg = $det1[$k];
-                    }
-                    elsif($det[$k] eq '1-H'){
-                        $need_to_split = 0;
-                    }
-                    elsif($det[$k] eq '1-C'){
-                        $pgnot = $det1[$k];
-                         $need_to_split = 1;
-                    }
-                }
-                
-                if ($need_to_split){
-                    
-                    $recordGroupA = $bi.'-'.$pg;
-                    $recordGroupG = $pgnot;
-
-                    @det=split(' ', $fonc[$pgnot]);
-                    @detF=split(' ',$ifonc[$pgnot]);
-                    
-                    foreach $k(0..@det-1){
-                        if ($detF[$k] ne $bi){
-                            $recordGroupG = $recordGroupG.'-'.$detF[$k];
-                        }
-                    }
-    
-                #  print "@groupCN3anchor\n@groupCN3anchorG\n";
-                
-                    if($funcGroup{'C+N'}){
-                        
-                        if($used_atoms !~ /-$bi-/ ){
-                
-                            $used_atoms = $used_atoms.'-'.$pgnot.'-';
-                
-                        
-                            if ($groupAnchor{'C+N'} eq ''){
-                                $groupAnchor{'C+N'} = $recordGroupA;
-                                $groupAnchorG{'C+N'}= $recordGroupG;
-                            }
-                            else{
-                                $groupAnchor{'C+N'} =$groupAnchor{'C+N'}.'#'.$recordGroupA;
-                                $groupAnchorG{'C+N'}=$groupAnchorG{'C+N'}.'#'.$recordGroupG;
-                                    
-                            }
-
-                            $nrGroup{'C+N'}++;
-                            #$combineGroup{'C+N'} = join(' ', @groupCN3anchor);
-#                             $combineGroup{'C+N'} = $groupAnchor{'C+N'};
-                            $ngroup_single++;
-                            $ngroupAll++;
-                            &print_findgroup('C+N')if ($if_print);
-                        }
-                    }
-                }
-            }
-        }
-        
-        elsif ($atom[$bi] eq 'O'){
-            
-            $recordGroup = '';
-            
-            @det=split(' ', $fonc[$bi]);
-            @det1=split(' ',$ifonc[$bi]);
-            
-            $car=$fonc[$bi];
-            $nocc=$car=~s/ 1-C / 1-C /g;
-            
-            # find OH
-            if(($fonc[$bi] =~ / 1-H /) && ($fonc[$bi] !~ / 1-X /)){
-        
-                $pH = 0;
-                $pHnot = 0;    
-                
-                foreach $k(0..@det-1){
-                    $pH = $det1[$k] if($det[$k]=~/1-H/);
-                    $pHnot = $det1[$k] if($det[$k]!~/1-H/);
-                }
-                
-                @detNot=split(' ', $fonc[$pHnot]);
-                @detNot1=split(' ',$ifonc[$pHnot]);
-                
-                foreach $k(0..@detNot-1){
-                   # print ("bi is $bi\n");
-                    if($detNot1[$k] ne $bi){
-                        if ($recordGroup eq ''){
-                            $recordGroup=$detNot1[$k];
-                        }
-                        else{
-                            $recordGroup= $recordGroup.'-'.$detNot1[$k];
-                        }
-                        #print("$k\t$detNot1[$k]\n");
-                    }
-                }
-                if(($fonc[$bi]=~/ 1-C /)){
-                    
-                    #@det=split(' ', $fonc[$bi]);
-                    $p = 0;
-                    
-                    foreach $k(0..@det-1){
-                        $iatom=$det1[$k] if($det[$k]=~/1-C/);
-                    }
-
-                    if($fonc[$iatom]!~/ 2-O /){
-                        
-                        if($funcGroup{'OH'}){
-                            
-                            if($used_atoms !~ /-$bi-/ ){
-                            
-                                $used_atoms = $used_atoms.'-'.$pHnot.'-';
-                                
-                                if ($groupAnchor{'OH'} eq ''){
-                                    $groupAnchor{'OH'} = $bi.'-'.$pH;
-                                    $groupAnchorG{'OH'}=$pHnot.'-'.$recordGroup;
-                                }
-                                else{
-                                    $groupAnchor{'OH'} =$groupAnchor{'OH'}.'#'.$bi.'-'.$pH;
-                                    $groupAnchorG{'OH'}=$groupAnchorG{'OH'}.'#'.$pHnot.'-'.$recordGroup;
-                                    
-                                }
-                                
-                                $nrGroup{'OH'}++;
-                        
-#                                 $combineGroup{'OH'} = $groupAnchor{'OH'};
-                                $ngroup_single++;
-                                $ngroupAll++;
-                                &print_findgroup("OH")if ($if_print);
-                            }
-                        }
-                    }
-                }
-                else{
-                
-                    $noccH=$car=~s/ 1-H / 1-H /g;
-                    if ( $noccH ne 2){ 
-                        
-                        if($funcGroup{'OH'}){
-                            
-                            if($used_atoms !~ /-$bi-/ ){
-                            
-                                $used_atoms = $used_atoms.'-'.$pHnot.'-';
-                                
-                                if ($groupAnchor{'OH'} eq ''){
-                                    $groupAnchor{'OH'} = $bi.'-'.$pH;
-                                    $groupAnchorG{'OH'}=$pHnot.'-'.$recordGroup;
-                                }
-                                else{
-                                    $groupAnchor{'OH'} =$groupAnchor{'OH'}.'#'.$bi.'-'.$pH;
-                                    $groupAnchorG{'OH'}=$groupAnchorG{'OH'}.'#'.$pHnot.'-'.$recordGroup;
-                                    
-                                }
-                            
-    #                         print("OH:$groupOHanchor[$ngroupOH]++$groupOHanchorG[ $ngroupOH]\n");
-
-                                $nrGroup{'OH'}++;                        
-
-                                $ngroup_single++;
-                                $ngroupAll++;
-                                &print_findgroup("OH")if ($if_print);
-                            }
-                        }
-                    }
-            
-                }
-           }
-            
-            # find C-O-C
-            elsif($nocc == 2){
-            
-                @det=split(' ', $fonc[$bi]);
-                @detF=split(' ',$ifonc[$bi]);
-                
-                $pO = '';
-                $pOnot = '';
-                
-                $pO = $bi;
-                
-                foreach $k(0..@detF-1){
-                    
-                    if ($pOnot eq ''){
-                        $pOnot =$detF[$k];
-                    }
-                    else{
-                        $pOnot =$pOnot.'-'.$detF[$k];
-                    }
-                }    
-
-                @pOnot1 = split('-', $pOnot);
-                
-                my $isO = 1;
-                
-                foreach $ipnot1(0..@pOnot1-1){
-                    $isO = 0 if ($fonc[$pOnot1[$ipnot1]] =~ / 2-O /);
-                }
-                
-                if($isO){
-                
-                    foreach $ipnot1(0..@pOnot1-1){
-                        
-                        $recordGroupA = '';
-                        $recordGroupG = '';
-                        
-                        @detNot=split(' ', $fonc[$pOnot1[$ipnot1]]);
-                        @detNot1=split(' ',$ifonc[$pOnot1[$ipnot1]]);
-                    
-                        foreach $k(0..@detNot-1){
-                        
-                            if($detNot1[$k] != $bi){
-                                if ($recordGroupG eq ''){
-                                    $recordGroupG=$detNot1[$k];
-                                }
-                                else{
-                                    $recordGroupG= $recordGroupG.'-'.$detNot1[$k];
-                                }
-                            }
-                    
-                        }
-                        
-                        foreach $ipnot2(0..@pOnot1-1){
-                            $recordGroupA = $pOnot1[$ipnot2] if($ipnot2 != $ipnot1);
-                        }
-                        
-                        
-                        if($groupOanchor[$nrGroup{'O'}] eq ''){
-                            $groupOanchor[$nrGroup{'O'}]=$bi.'-'.$recordGroupA;
-                            $groupOanchorG[$nrGroup{'O'}]=$pOnot1[$ipOnot1].'-'.$recordGroupG;
-                        }
-                        else{
-                        
-                            $groupOanchor[$nrGroup{'O'}]=$groupOanchor[$nrGroup{'O'}].'+'.$bi.'-'.$recordGroupA;
-                            $groupOanchorG[$nrGroup{'O'}]=$groupOanchorG[$nrGroup{'O'}].'+'.$pOnot1[$ipnot1].'-'.$recordGroupG;
-    
-                        }
-                        
-#                         print "$groupOanchor[$nrGroup{'O'}]\n$groupOanchorG[$nrGroup{'O'}]\n";
-                    }
-                
-                    if($funcGroup{'O'}){
-#                         $ngroupO++;
-                        $nrGroup{'O'}++;
-                    
-                        $groupAnchor{'O'} = join('#', @groupOanchor);
-                        $groupAnchorG{'O'} = join('#',@groupOanchorG);   
-                            
-                        $ngroup_multi++;
-                        $ngroupAll++;
-                        &print_findgroup("O")if ($if_print);
-                    }
-                }
-           }
-        }
-        
-        elsif ($atom[$bi] eq 'N'){
-    
-            $car = $fonc[$bi];
-            $nccH = $car =~ s/ 1-H / 1-H /g;
-            $nccC = $car =~ s/ 1-C / 1-C /g;
-            
-            $need_to_split = 0;
-            
-            if (($nccH == 2) && ($nccC == 1)){
-                &print_findgroup('NHH')if ($if_print);
-                $need_to_split = 1;
-                
-            }
-            elsif(($nccH == 1) && ($nccC == 2)){
-                &print_findgroup('NH')if ($if_print);
-                $need_to_split = 1;
-            }
-            elsif(($nccH == 0) && ($nccC == 3)){
-                &print_findgroup('N')if ($if_print);
-                $need_to_split = 1;
-            }
-            
-            if($need_to_split){
-                
-                $pH = '';
-                $pHnot = '';
-                
-                @det  = split(' ', $fonc[$bi]);
-                @detF = split(' ',$ifonc[$bi]);
-                
-                foreach $k(0..@det-1){
-                    
-                    if($det[$k] eq '1-C'){
-                        
-                        if($pHnot eq ''){
-                        
-                            $pHnot = $detF[$k];
-                        }
-                        else{
-                            $pHnot = $pHnot.'-'.$detF[$k];
-                        }
-                    }
-                    elsif($det[$k] eq '1-H'){
-                        if($pH eq ''){
-                        
-                            $pH = $detF[$k];
-                        }
-                        else{
-                            $pH = $pH.'-'.$detF[$k];
-                        }
-                    }
-                   
-                }
-                
-            
-                if (($nccH == 2) && ($nccC == 1)){
-                    
-                    $recordGroupA = $bi.'-'.$pH;
-                    $recordGroupG = $pHnot;
-
-                    @det=split(' ', $fonc[$pHnot]);
-                    @detF=split(' ',$ifonc[$pHnot]);
-                    
-                
-                    foreach $k(0..@det-1){
-                        if ($detF[$k] ne $bi){
-                            $recordGroupG = $recordGroupG.'-'.$detF[$k];
-                        }
-                    }
-                    
-                    if($funcGroup{'N(H)H'}){
-                    
-                        if($used_atoms !~ /-$bi-/ ){
-                            
-                            if ($groupAnchor{'N(H)H'} eq ''){
-                                $groupAnchor{'N(H)H'} = $recordGroupA;
-                                $groupAnchorG{'N(H)H'}= $recordGroupG;
-                            }
-                            else{
-                                $groupAnchor{'N(H)H'} =$groupAnchor{'N(H)H'}.'#'.$recordGroupA;
-                                $groupAnchorG{'N(H)H'}=$groupAnchorG{'N(H)H'}.'#'.$recordGroupG;
-                                    
-                            }
-                            
-                            $used_atoms = $used_atoms.'-'.$bi.'-'.$pHnot.'-';
-                            
-                            $nrGroup{'N(H)H'}++;
-
-                            $ngroup_single++;
-                            $ngroupAll++;
-                        # &print_findgroup("NHH")if ($if_print);
-                    }
-                    }
-                    
-                }
-                elsif(($nccH == 1) && ($nccC == 2)){
-
-                    @temp = split('-', $pHnot);
-                    
-                    $used_atoms = $used_atoms.'-'.$bi.'-';
-                    
-                    foreach $itemp(0..@temp-1){
-                        
-                        $recordGroupA= '';
-                        $recordGroupG = '';
-                        $recordGroupA = $bi.'-'.$pH;
-                        $recordGroupG = $temp[$itemp];
-                        
-                        
-                        
-                        @det=split(' ', $fonc[$temp[$itemp]]);
-                        @detF=split(' ',$ifonc[$temp[$itemp]]);
-                        
-                        foreach $k(0..@det-1){
-                            if ($detF[$k] ne $bi){
-                                $recordGroupG = $recordGroupG.'-'.$detF[$k];
-                            }
-                        }
-                        
-                        if ($groupNHanchor[$nrGroup{'NH'}] eq ''){
-                            $groupNHanchor[$nrGroup{'NH'}] = $recordGroupA;
-                            $groupNHanchorG[$nrGroup{'NH'}] = $recordGroupG;
-
-                            foreach $itemp2(0..@temp-1){
-                                $groupNHanchor[$nrGroup{'NH'}] = $groupNHanchor[$nrGroup{'NH'}].'-'.$temp[$itemp2] if($itemp2 ne $itemp);
-                            }
-                        }
-                        else{
-                            $groupNHanchor[$nrGroup{'NH'}] = $groupNHanchor[$nrGroup{'NH'}].'+'.$recordGroupA;
-                            $groupNHanchorG[$nrGroup{'NH'}] = $groupNHanchorG[$nrGroup{'NH'}] .'+'.$recordGroupG;
-                            
-                            foreach $itemp2(0..@temp-1){
-                                $groupNHanchor[$nrGroup{'NH'}] = $groupNHanchor[$nrGroup{'NH'}].'-'.$temp[$itemp2] if($itemp2 ne $itemp);
-                            }
-                            
-                        }
-                    }
-                    
-                    if($funcGroup{'NH'}){
-                        
-#                         $ngroupNH++;
-                        $nrGroup{'NH'}++;
-                        
-                        $groupAnchor{'NH'} = join('#', @groupNHanchor);
-                        $groupAnchorG{'NH'} = join('#',@groupNHanchorG);   
-
-                        $ngroup_multi++;
-                        $ngroupAll++;
-                    # &print_findgroup("NHH")if ($if_print);
-                    
-                    }
-                }
-                elsif(($nccH == 0) && ($nccC == 3)){
-                    
-                    @temp = split('-', $pHnot);
-                    
-                    foreach $itemp(0..@temp-1){
-                        
-                        $recordGroupA= '';
-                        $recordGroupG = '';
-                        
-                        $recordGroupA = $bi;
-                        
-                        $recordGroupG = $temp[$itemp];
-                        
-                        @det=split(' ', $fonc[$temp[$itemp]]);
-                        @detF=split(' ',$ifonc[$temp[$itemp]]);
-                        
-                        foreach $k(0..@det-1){
-                            if ($detF[$k] ne $bi){
-                                $recordGroupG = $recordGroupG.'-'.$detF[$k];
-                            }
-                        }
-                        
-                        if ($groupNanchor[$nrGroup{'N'}] eq ''){
-                            $groupNanchor[$nrGroup{'N'}] = $recordGroupA;
-                            $groupNanchorG[$nrGroup{'N'}] = $recordGroupG;
-
-                            foreach $itemp2(0..@temp-1){
-                                $groupNanchor[$nrGroup{'N'}] = $groupNanchor[$nrGroup{'N'}].'-'.$temp[$itemp2] if($itemp2 ne $itemp);
-                            }
-                        }
-                        else{
-                            $groupNanchor[$nrGroup{'N'}] = $groupNanchor[$nrGroup{'N'}].'+'.$recordGroupA;
-                            $groupNanchorG[$nrGroup{'N'}] = $groupNanchorG[$nrGroup{'N'}] .'+'.$recordGroupG;
-                            
-                            foreach $itemp2(0..@temp-1){
-                                $groupNanchor[$nrGroup{'N'}] = $groupNanchor[$nrGroup{'N'}].'-'.$temp[$itemp2] if($itemp2 ne $itemp);
-                            }
-                            
-                        }
-                    }
-                 
-                    if($funcGroup{'N'}){
-                        
-#                         $ngroupN++;
-                        $nrGroup{'N'}++;
-                        
-                        $groupAnchor{'N'} = join('#', @groupNanchor);
-                        $groupAnchorG{'N'} = join('#',@groupNanchorG);   
-
-                        $ngroup_multi++;
-                        $ngroupAll++;
-                    # &print_findgroup("NHH")if ($if_print);
-                    
-                    }
-                
-                }
-            }
-        }
-        
-        elsif (($atom[$bi] eq 'F') || ($atom[$bi] eq 'Cl') || ($atom[$bi] eq 'Br') || ($atom[$bi] eq 'I')){
-            
-            if ($fonc[$bi] =~ / 1-C /){
-                &find_halogen($atom[$bi], $if_print);
-            }
-            
-        }
-    }
-    
-    if($nrGroup{'cycle'}){
-        $ngroup_multi = $ngroup_multi + @cycle_one_mol;
-        $ngroupAll = $ngroupAll + @cycle_one_mol;
-        $nrGroup{'cycle'} = @cycle_one_mol;
-    }
-
-    &print_findgroup("cycle")if (($if_print) && ($ncycle[$i_mol] > 0));
-    print("\n\t\tFound $ngroupAll groups: $ngroup_single single groups, $ngroup_multi multi groups, including $nrGroup{'cycle'} cycles.\n\n") if ($if_print);
-    
-    &check_organic if ($if_print);
-    
-}
-
-sub find_halogen{
-    
-    local ($elem, $if_print) = @_;
-    
-    $recordGroup = '';
-    $pNot = '';
-
-    @det=split(' ', $fonc[$bi]);
-    @det1=split(' ',$ifonc[$bi]);
-            
-    foreach $k(0..@det-1){
-        $pNot = $det1[0];
-        die if($k > 0);
-    }
-
-    @detNot=split(' ', $fonc[$pNot]);
-    @detNot1=split(' ',$ifonc[$pNot]);
-    
-    foreach $k(0..@detNot-1){
-        if ($detNot1[$k] ne $bi){
-            if ($recordGroup eq ''){
-                $recordGroup=$detNot1[$k];
-            }
-            else{
-                $recordGroup= $recordGroup.'-'.$detNot1[$k];
-            }
-        }
-    }
-    
-    
-     if($funcGroup{'VII'}){
-        
-        if($used_atoms !~ /-$bi-/ ){
-            
-            $used_atoms = $used_atoms.'-'.$pNot.'-';
-            
-            if ($groupAnchor{'VII'} eq ''){
-                $groupAnchor{'VII'} = $bi;
-                $groupAnchorG{'VII'}=$pNot.'-'.$recordGroup;
-            }
-            else{
-                $groupAnchor{'VII'} =$groupAnchor{'VII'}.'#'.$bi;
-                $groupAnchorG{'VII'}=$groupAnchorG{'VII'}.'#'.$pNot.'-'.$recordGroup;
-                
-            }
-
-#             $combineGroup{'VII'} = $groupAnchor{'VII'};
-            $nrGroup{'VII'}++;
-            $ngroup_single++;
-            $ngroupAll++;
-        }
-        &print_findgroup("$elem") if($if_print); 
-    }
-    
-}
-
-
-#=============================================================================#
-#
-#                                 check organic
-#
-#=============================================================================#
-
-
-sub check_organic{
-
-# ----------
-#
-#    only a easy check, if the molecule might be an inorganic compound
-#
-# ----------
-    
-    my $all_atoms = '';
-    
-    $all_atoms = join('-', @atom);
-    
-    $all_atoms = '-'.$all_atoms.'-';
-    
-    print "\t\t-> This molecule might be an inorganic compound.\n" if ($all_atoms !~ /-C-/);
-    warn "\nWarning: There is no H-atom in this molecule. The lea-string is invalid!\n\n" if ($all_atoms !~ /-H-/);
-    
-}
-
-#=============================================================================#
-#
-#                                     cycles
-#
-#=============================================================================#
-
-sub find_cycle{
-
-# ----------
-#
-#    find if a molecule do have a cycle structure. 
-#    find yes, change the bond information + 5
-#
-# ----------
-    
-    &print_debug("find_cycle");
-    
-    local($fileread, $if_plus) = @_;
-    
-    local $filewrite = 'cyc_'.$fileread, $nr_mol = 0;
-    
-    @ncycle = '';
-    @cycle_atom = '';
-    
-    unlink $filewrite;
-
-    &read_all_frag($fileread, 'find_cycle');
-    
-    $inputfile = $filewrite if ($if_plus == 1);
-    
-    rename $filewrite, $fileread if ($if_plus == 0);
-    
-}    
-
-sub cyclesdf{
-
-# ----------
-#
-#    1. comes originally from LEA3D
-#    2. find cycles
-#
-# ----------
-    
-    &print_debug("cyclesdf");
-    
-    local ($if_sub) = @_;
- 
-    local $nbcycle=0, @cycle='', $debug=0;
-    local $listpassage, $listedirecte, $contact1, $suite, $suitei,$suitefinale;
-    local @gsuite4;
-    
-    $cycle_atom_sub = '';
-    
-    foreach $cyc (1..$istratom){
-
-        foreach $cyc3 (1..$istratom){
-
-            $listpassage="";
-            $listedirecte="";
-            $contact1=-1;
-            $suite="";
-            $suitei="";
-            $suitefinale="";
-            @gsuite4=split(' ',$ifonc[$cyc3]);
-            
-            if(@gsuite4 > 1){
-                foreach $cyc2 (0..@gsuite4-1){
-                    $contact1=$cyc3 if($gsuite4[$cyc2] == $cyc);
-                };
-            };
-            
-            if($contact1 > -1){
-                
-                print "depart $cyc puis via $contact1\n" if($debug);
-                
-                @gsuite=split(' ',$ifonc[$contact1]);
-                
-                if(@gsuite > 1){
-                
-                    foreach $cyc2 (0..@gsuite-1){
-                    
-                        if($gsuite[$cyc2] != $cyc){
-                        
-                            $listpassage=$listpassage." $gsuite[$cyc2] ";
-                            $suite=$suite." $gsuite[$cyc2] ";
-                            $suitei=$suitei." $contact1 ";
-                        };
-                    };
-                    
-                    @gsuite2=split(' ',$suite);
-                    @gsuite3=split(' ',$suitei);
-                
-                    $qs=@gsuite2-1;
-                    
-                    while($gsuite2[0] ne ""){
-                        
-                        print "\t suite $suite\n" if($debug);
-                        
-                        @fget=split(' ',$ifonc[$gsuite2[$qs]]);
-                        $endsub=0;
-                        
-                        foreach $cyc2 (0..@fget-1){
-                        
-                            if($listedirecte!~/ $gsuite2[$qs]-$fget[$cyc2] /){
-                                
-                                if($fget[$cyc2]==$cyc && $fget[$cyc2]!=$gsuite3[$qs] && $listpassage!~/ $fget[$cyc2] /){
-                                    
-                                    $endsub=1;
-                                    
-                                    @gsuite5=split(' ',$suitei);
-                                    
-                                    foreach $qs3 (0..@gsuite5-1){
-                                        if($suitefinale!~/ $gsuite5[@gsuite5-1-$qs3] /){
-                                            $suitefinale=$suitefinale." $gsuite5[@gsuite5-1-$qs3] ";
-                                        };
-                                    };	
-                                    
-                                    $suitefinale=" $gsuite2[$qs] ".$suitefinale if($suitefinale!~/ $gsuite2[$qs] /);
-                                    $suitefinale=$suitefinale." $cyc " if($suitefinale!~/ $cyc /);
-                                    print "suite finale $suitefinale\n" if($debug);
-                                    
-                                    $cycle[$nbcycle]=$suitefinale;
-                                    
-                                    $nbcycle++;
-                                    
-                                    $suitefinale="";
-                                    
-                                    $listedirecte=$listedirecte." $gsuite2[$qs]-$fget[$cyc2] ";
-                                }	
-                                elsif($fget[$cyc2]!=$gsuite3[$qs] && $listpassage!~/ $fget[$cyc2] /){
-                                    
-                                    $endsub=1;
-                                    print "\t add $fget[$cyc2]\n" if($debug);
-                                    $listpassage=$listpassage." $fget[$cyc2] ";
-                                    $suite=$suite." $fget[$cyc2] ";
-                                    $suitei=$suitei." $gsuite2[$qs] ";
-                                };
-                            };
-                        };
-                        
-                        if($endsub==0){
-                            $gsuite2[$qs]="";
-                            $suite=join(' ',@gsuite2);
-                            $suite=" ".$suite." ";
-                            $gsuite3[$qs]="";
-                            $suitei=join(' ',@gsuite3);
-                            $suitei=" ".$suitei." ";
-                        };
-                        @gsuite2=split(' ',$suite);
-                        @gsuite3=split(' ',$suitei);
-                        $qs=@gsuite2-1;
-                    };
-                };
-            };
-        };
-    };
-
-###################################################################################
-############### ELIMINATION DES DOUBLES
-
-    $longc=$nbcycle-1;
-    
-    foreach $lc (0..$longc-2){
-        foreach $lc2 (($lc+1)..$longc-1){
-            if ($cycle[$lc2] ne ''){
-                
-                $nbzero=0;
-                @get1= split(' ',$cycle[$lc]);
-                @get2= split(' ',$cycle[$lc2]);
-                
-                if (@get1 == @get2){
-                    foreach $lc3 (0..@get1-1){
-                        foreach $lc4 (0..@get2-1){
-                            if ($get1[$lc3] == $get2[$lc4]){
-                                $get2[$lc4] = 0;
-                                $nbzero ++;
-                            };
-                        };
-                    };
-                    $cycle[$lc2]='' if ($nbzero == @get2);
-                };
-            };
-        };
-    };
-
-    $nbc = 0;
-    $nbc56 = 0;
-    @cyclef='';
-
-    foreach $lc (0..$longc-1){
-        if ($cycle[$lc] ne ''){
-            print "unique $cycle[$lc]\n" if($debug);
-            $cyclef[$nbc]=$cycle[$lc];
-            $nbc++;
-            @get56=split(' ',$cycle[$lc]);
-            $long56=@get56;
-            $nbc56++ if($long56<=6);	
-        };
-    };
-    
-    $ncycle[$nr_mol] = $nbc if($if_sub ne 'sub');
-    
-    foreach $i(0..@cyclef){
-        
-        my $tmp = $cyclef[$i];
-        $tmp =~ s/  /-/g;
-        
-        if($if_sub eq 'sub'){
-            $cycle_atom_sub = $cycle_atom_sub.' '.$tmp;
-        }
-        else{
-            $cycle_atom[$nr_mol] = $cycle_atom[$nr_mol].' '.$tmp;
-        }
-    }
-   
-   
-   
-#     print "test: $cycle_atom_sub\n";
-    print "$nbc56 cycles a 3, 4, 5 ou 6 atomes\n"  if($debug);
-    print "$nbc cycles\n" if($debug);
-    print "\n" if($debug);
-};
-
-sub changebond{
-
-# ----------
-#
-#   change bond of cycles: +5/-5
-#
-# ----------
-    
-    &print_debug("changebond");
-    
-    local ($if_sub) = @_;
-    
-    local $ccyc = @cyclef;
-    
-    my $i, $j, $k, $h, $g, @c_atom, @c_ifonc, @c_fonc, $add_atom = '', $count = 0, @all_mol = '';
-
-    # check ring-combination: if Polycyclic 
-    &check_cycle('main');
-   
-    # rewrite input file: the bond inside cycles +5 or -5
-    
-#     print "all mol is: @all_mol\n";
-    open(WRITE, ">>$filewrite");
-    
-    foreach $iligne(0..@ligne-1){
-    
-        if($iligne > 4){
-        
-            @getligne = '';
-            @getligne = split(' ', $ligne[$iligne]);
-            
-            foreach $i_all_mol(0..@all_mol-1){
-                
-                $all_mol[$i_all_mol] = '-'.$all_mol[$i_all_mol].'-';
-            
-                if(($all_mol[$i_all_mol] =~ /-$getligne[0]-/) && ($all_mol[$i_all_mol] =~ /-$getligne[1]-/) && ($getligne[0] ne '') && ($getligne[0] ne ' ')){
-                    
-                    if($if_plus){
-                        $getligne[2] = $getligne[2] + 5;
-                    }
-                    else{
-                        $getligne[2] = $getligne[2] - 5;
-                    }
-                
-                    if(( $getligne[0] < 100 )  && ( $getligne[0] > 9 ) && ( $getligne[1] > 9) && ($getligne[1] < 100) ){
-                        $ligne[$iligne] = ' '.$getligne[0].' '.$getligne[1];
-                    }
-                    elsif(($getligne[0] < 10) && ( $getligne[1] > 9) && ( $getligne[1] < 100)){
-                        $ligne[$iligne] = '  '.$getligne[0].' '.$getligne[1];
-                    }
-                    elsif(($getligne[0] < 100) && ($getligne[0] > 9) && ($getligne[1] < 10)){
-                        $ligne[$iligne] = ' '.$getligne[0].'  '.$getligne[1];
-                    }
-                    elsif(($getligne[0] < 10) && ($getligne[1] < 10)){
-                        $ligne[$iligne] = '  '.$getligne[0].'  '.$getligne[1];
-                    }
-                    else{
-                        die "Err: Not defined!\n";
-                    }
-                    
-                    foreach my $i(2..@getligne-1){
-                        
-                        $ligne[$iligne] = $ligne[$iligne].'  '.$getligne[$i];
-                    }
-                    
-                    $ligne[$iligne] = $ligne[$iligne]."\n";
-                }
-            }
-        }
-        print WRITE $ligne[$iligne];
-    }
-
-    close WRITE; 
-
-}
-
-
-sub check_cycle{
-
-# ----------
-#
-#    check the number of cycles to split
-#    check if fused Rings are included 
-#
-# ----------
-    &print_debug("check_cycle");
-    
-  #  print "find: @cycle_one_mol\n";
-
-    local ($operator) = @_, @old_cycle_one_mol = '', @new_cycle_one_mol = '', @atoms_each_cycle = '';
-    my $kk = 0, $n_match = 0; 
-    
-    if ($operator eq 'main'){
-
-        @old_cycle_one_mol = split(' ', $cycle_atom[$nr_mol]);
-    }
-    else{
-        @old_cycle_one_mol = @cycle_one_mol;
-    }
-
-    @sorted = sort { length $a < length $b } @old_cycle_one_mol;
-    @old_cycle_one_mol = @sorted;
-#     print "nach: @old_cycle_one_mol\n";
-    
-    foreach my $k(0..@old_cycle_one_mol-1){
-        
-        $old_cycle_one_mol[$k] =~ s/ /-/g;
-        
-#         print "$old_cycle_one_mol[$k]\n";
-        
-        if($old_cycle_one_mol[$k] ne ''){
-            
-            $all_cyc_atoms = '-'.$old_cycle_one_mol[$k].'-';
-            
-            $atom_big_cycle = $old_cycle_one_mol[$k];
-
-            foreach my $h($k+1..@old_cycle_one_mol-1){
-
-                $old_cycle_one_mol[$h] =~ s/ /-/g;
-                
-                $n_match = 0; 
-                
-                @atoms_each_cycle = split('-', $old_cycle_one_mol[$h]);
-                
-                foreach my $g(0..@atoms_each_cycle-1){
-                    
-                  #  print "$n_match and $all_cyc_atoms =~ /-$atoms_each_cycle[$g]-/\n\n";
-                    
-                    if(($all_cyc_atoms =~ /-$atoms_each_cycle[$g]-/) && ($atoms_each_cycle[$g] ne '')){
-                        
-                        if($n_match < 2){
-                            $n_match++;
-                        }
-                        elsif($n_match >1){
-                            $atom_big_cycle = $atom_big_cycle.'-'.$old_cycle_one_mol[$h];
-                            $old_cycle_one_mol[$h] = '';
-                            $n_match++;
-                            last;
-                        }
-                    }
-                }
-            }
-            
-            #print "bigatom: $atom_big_cycle\n";
-            
-            my @array = split('-', $atom_big_cycle);
-            
-            
-            foreach $g(0..@array-1){
-                
-                if(($fonc[$array[$g]] =~ /2-/) || ($fonc[$array[$g]] =~ /7-/)){
-                    
-                    @c_fonc = split(' ', $fonc[$array[$g]]);
-                    @c_ifonc = split(' ', $ifonc[$array[$g]]);
-                    
-                    foreach $h(0..@c_fonc-1){
-                     $array[@array] = $c_ifonc[$h] if($c_fonc[$h] =~/2-/);
-                     $array[@array] = $c_ifonc[$h] if($c_fonc[$h] =~/7-/);
-                    }
-                }
-            }
-            
-            @uniq_times = uniq @array;
-            
-            $new_cycle_one_mol[$kk] = join('-', @uniq_times);
-            
-          #  print "big:$new_cycle_one_mol[$kk]\n";
-            
-            $kk++;
-        }
-    }
-
-    if ($operator eq 'main'){
-        
-        @all_mol = '';
-        @all_mol = @new_cycle_one_mol;
-    
-    }
-    else{
-        @cycle_one_mol = '';
-        @cycle_one_mol = @new_cycle_one_mol;
-        $cycle_atoms_one = join('-', @cycle_one_mol);
-        $cycle_atoms_one = '-'.$cycle_atoms_one.'-';
-    }
-}
-
-#=============================================================================#
-#
-#                                 change mol and molping
-#
-#=============================================================================#
-sub change_mol_mp{
-
-# ----------
-#
-#    change the mol and molping, wenn the split happens
-#
-# ----------
-
-    my $new_mol = '', $new_mp = '', @new_split_mol_sub = '', $i, $j, $j1; 
-    
-    my @split_mp_sub = split(' ', $mp_sub_tmp); 
-    my @split_mol_sub = split(/[' ',-]/, $mol_sub_tmp); 
-    
-    my @split_mp_main = split(' ', $mp_main_tmp);
-    my @split_mol_main = split(' ', $mol_main_tmp); 
-    
-#     print "\n\nvor:$mp_sub_tmp\t$mol_sub_tmp // $mp_main_tmp\t$mol_main_tmp\n";
-            
-#     print "ifrag_change: $ifrag_change\n";
-
-    foreach $i(0..@split_mp_sub-1){
-                
-        if ($split_mp_sub[$i] < $ifrag_change){
-            
-            if ($new_mp eq ''){
-                $new_mp = $split_mp_sub[$i];
-            }
-            else{
-                $new_mp = $new_mp.' '.$split_mp_sub[$i];
-            }
-            
-            foreach my $isplit_mol_sub(0..@split_mol_sub-1){
-            
-                if ($split_mol_sub[$isplit_mol_sub] =~ /^$split_mp_sub[$i]\*/){
-                    $new_split_mol_sub[$isplit_mol_sub] = $split_mol_sub[$isplit_mol_sub];
-                    $split_mol_sub[$isplit_mol_sub] = '';
-                }
-            }
-        }
-      
-        elsif($split_mp_sub[$i] == $ifrag_change){
-            
-            my @frag_after_tmp = @frag_change_after; 
-
-            foreach $j(0..@split_mp_main-1){
-                
-                my $add_one_ele =  $ifrag_change+$j;
-
-#                 print "$split_mp_sub[$i] == $ifrag_change";
-                
-                if ($new_mp eq ''){
-                
-                    $new_mp = $add_one_ele;
-                
-                }
-                else{
-                    $new_mp = $new_mp.' '.$add_one_ele;
-                
-                }
-            
-                foreach $j1(0..@frag_change_after-1){
-                    
-                    my @change_mp = split('\*', $frag_change_after[$j1]);
-                    
-#                     print "vor @change_mp === @frag_change_after\n";
-                    
-                    if($change_mp[0] == ($j+1)){
-                    
-                        $change_mp[0] = $add_one_ele;
-                        $frag_after_tmp[$j1] = join('*', @change_mp);
-                        $frag_change_after[$j1]  = '';
-                    }
-                    
-#                     print "nach @change_mp\n";
-                }
-            }
-            
-            
-        #   print "hier hier @frag_after_tmp\n\n";
-            
-            my @frag_change_after = @frag_after_tmp;
-
-
-            foreach $j(0..@split_mol_main-1){
-                
-                $split_mol_main[$j] = '-'.$split_mol_main[$j];
-                
-                foreach $j1(0..@split_mp_main-1){
-                    
-                    my $add_one_ele = $ifrag_change+$j1;
-                    
-                    $split_mol_main[$j]=~s/$split_mp_main[$j1]\*/$add_one_ele\*/g;
-                    
-                    $split_mol_main[$j]=~s/ $split_mp_main[$j1]\*/ $add_one_ele\*/g;
-                    
-                    $split_mol_main[$j]=~s/-$split_mp_main[$j1]\*/-$add_one_ele\*/g;
-
-                }
-                
-                $split_mol_main[$j] =~ s/^.//;
-                
-                if ($new_mol eq ''){
-                    $new_mol = $split_mol_main[$j];
-                }
-                else{
-                    $new_mol = $new_mol.' '.$split_mol_main[$j];
-                }
-            }
-        
-            foreach my $k(0..@split_mol_sub-1){
-                    
-                my @frag1 = split('\*', $split_mol_sub[$k]);
-                
-                if (($frag1[0] eq $ifrag_change) && ($ifrag_change_anchor =~/-$frag1[1]-/)){
-                    
-                    my @frag_change_before = split('-', $ifrag_change_anchor);
-                
-                    foreach my $i_change_before(0..@frag_change_before-1){
-                            
-                        if ($frag_change_before[$i_change_before] eq $frag1[1]){
-                            
-                            $new_split_mol_sub[$k] = $frag_change_after[$i_change_before];
-                            
-                            $split_mol_sub[$k]='';
-                        }
-                    }
-                }
-            }
-        }
-        
-        elsif ($split_mp_sub[$i] > $ifrag_change){
-
-            my $add_one_ele = $split_mp_sub[$i] + @split_mp_main - 1;
-            
-            my $new_mp_tmp = ' '.$new_mp.' '; 
-
-            if($new_mp_tmp !~ / $add_one_ele /){
-            
-                $new_mp = $new_mp.' '.$add_one_ele;
-                
-                
-                foreach my $k(0..@split_mol_sub-1){
-                    
-                    if($split_mol_sub[$k] =~ /$split_mp_sub[$i]\*/){
-                        
-                        my @temp = split('\*', $split_mol_sub[$k]);
-                        
-                        $new_split_mol_sub[$k]= $add_one_ele.'*'.$temp[1];
-                        $split_mol_sub[$k] = ''; 
-                                            
-                    }
-                }
-            }
-        }
-    }
-    
-    
-    # neu mol string
-    for ($i = 0; $i < @new_split_mol_sub; $i += 2) {
-        $new_mol = $new_mol.' '.$new_split_mol_sub[$i].'-'.$new_split_mol_sub[$i+1];
-    }
-    
-    $mol_main_tmp = $new_mol;
-    $mp_main_tmp = $new_mp;
-    
-    $mol_sub_tmp = '';
-    $mp_sub_tmp = '';
-    
-    $i_lego--;
-    $i_moli--;
-                
- #  print "nach $mol_main_tmp\t$mp_main_tmp\n";
-
-}
-
diff --git a/workspace/Initialisation/Code/PRINT.pl b/workspace/Initialisation/Code/PRINT.pl
deleted file mode 100644
index 06ac372..0000000
--- a/workspace/Initialisation/Code/PRINT.pl
+++ /dev/null
@@ -1,200 +0,0 @@
-#!/usr/bin/perl
-
-print "PRINT OK \n";
-
-
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-#       
-#               all subs about screen output
-#
-#
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-
-sub print_header{
-
-# ----------
-#
-# just as sub name said
-#
-# ----------
-
-    my $text="
-    ########################################################################\n\n
-    \t\t\tsplit functional groups\n\n
-    ########################################################################\n\n";
-
-    system("echo \"$text\""); 
-
-}
-
-sub print_i{
-
-# ----------
-#
-# sreen output: information of this algorithmus 
-#
-# ----------
-    
-    # attention: it is four blanks not a tab
-    my $text = "General Command list:
-    ./splitGroup.pl -i: help information
-    ./splitGroup.pl -mat <file.mat>: a certain amount of molecules will be ranked then splited
-    ./splitGroup.pl -txt <file.txt>: translate USMILES to one SDF-file with ranking, then split them
-    ./splitGroup.pl -dir <directory>: split molecules in one directory without ranking 
-    ./splitGroup.pl -sdf <file.sdf>: split molecules in one SDF-file
-    
-    
-Attention: 
-    1) Input data (MAT, TXT, SDF or DIR) must be stored in directory Input,
-    2) Command input is just file/directory name without paths,
-    3) Directory Output is always cleaned before new start.
-    \n";	       
-
-    system("echo \"$text\""); 
-
-    die "\n";
-}
-
-sub print_line{
-
-# ----------
-#
-# screen output for information
-#
-# ----------
-    
-    my ($in) = @_;
-    
-    print "\n------------------------------------\n";
-    print "\t$in...\n\n";
-}
-
-sub print_screen_log{
-
-# ----------
-#
-# screen and log file output for information
-# Attention: this LOG-file is only for COSMO-CAMD
-#
-# ----------
-    
-    my ($in) = @_;
-    
-    print "$in";
-    print LOGLEA "$in" if($tool_para{LOGLEA});
-    
-}
-
-sub print_debug{
-
-# ----------
-#
-# screen output for debug
-#
-# ----------
-
-    if ($tool_para{DEBUG} > 0){
-    
-        print "\ndebug: IN SUB <@_[0]>";
-        
-        foreach my $i(1..@_){
-            if(@_[$i] ne ''){
-                print "  with Input:" if($i == 1) ;
-                print "\t@_[$i]";
-            }
-        }
-        
-        print "\n\n";
-
-    }
-}
-
-sub print_findgroup{
-
-# ----------
-#
-# screen output for information: which groups of a molecule are found
-#
-# ----------
-
-    my($which_group) = @_;
-    
-    print("\t\tfind group: $which_group\n");
-    
-}
-
-sub print_footer{
-
-# ----------
-#
-# sreen output: footer
-#
-# ----------
-
-    &print_line('Finished');
-
-    print "\toutput file:\n";
-    
-    print "\t\t $fo_mol:\tmolecule group information\n" if(-e "$path_output/$fo_mol");
-    print "\t\t $fo_str:\tlea-string \n" if(-e "$path_output/$fo_str");
-    print "\t\t $fo_lib:\tfragment library\n" if(-e "$path_output/$fo_lib");
-   
-    print "\t\t $fo_allmol:\tall molecule from directory\n" if(-e "$path_output/$fo_allmol");
-    print "\t\t $screen_sdf:\tall molecule from directory\n" if(-e "$path_output/$screen_sdf");
-    
-    
-    print "\t\t $unique_sdf:\tunique fragment\n" if(-e "$path_output$unique_sdf");
-
-    my @failed = split(' ', $failed_mol);
-    
-    $i = @failed;
-    
-    print "\n\t$i molecules are not splited because of too many atoms: \n\t\t Nr.@failed\n" if($i > 0);
-    
-    
-    # attention: it is four blanks not a tab
-    my $text="
-    ########################################################################\n\n
-    \t\t\t\tAll DONE!\n\n";
-
-    system("echo \"$text\""); 
-
-}
-
-sub sendmail{
-
-# ----------
-#
-# Send an email to address specified as $recipient
-# copied from MAIN
-# ----------
-    
-    local $reason = $_[0];
-
-    $from = 'LEA3D@pc-est3.ltt.rwth-aachen.de';
-
-    $name = ucfirst($recipient);
-    $name =~ s/\..*//;
-    
-    if ($reason) {
-        $subject = 'successfully splited';
-
-        $message = "Dear $name,\n\nYour fragmentation of $i_mol molecules is successfully completed.\n\nAll the best and take care,\nLEA";
-    }
-    else {
-        $subject = 'fragmentation failed';
-        
-        $message = "Dear $name,\n\nYour fragmentation of $i_mol molecules is terminated abnormally. Please check the LOG-file.\n\nAll the best and take care,\nLEA";
-    }
-
-    open(MAIL, "|/usr/sbin/sendmail -t");
-
-    # Email Header
-    print MAIL "To: $recipient\n";
-    print MAIL "From: $from\n";
-    print MAIL "Subject: $subject\n\n";
-    # Email Body
-    print MAIL $message;
-
-    close(MAIL);
-}
diff --git a/workspace/Initialisation/Code/READ.pl b/workspace/Initialisation/Code/READ.pl
deleted file mode 100644
index 0cf4418..0000000
--- a/workspace/Initialisation/Code/READ.pl
+++ /dev/null
@@ -1,1178 +0,0 @@
-#!/usr/bin/perl
-
-print "READ OK \n";
-
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-#       
-#               all subs about reading things
-#
-#
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-
-
-sub read_directory{
-    
-# ----------
-#
-#    If input is a directory, copy all info.sdf in file all_mol_fromDir.sdf.
-#    The name of inputfile is then changed to all_mol_fromDir.sdf.
-#
-# ----------
-
-    # screen output
-    &print_line("Read all molecules in directory $inputfile");
-    
-    
-    # define local variables
-    local *IN, *OUT;
-    my @bn = '', $ibn = 0, $imol = 0;
-          
-    
-    # find all .sdf files 
-    unlink $fo_allmol if(-e $fo_allmol);
-    
-    chop(my $tmp = `ls $path_input$inputfile/*.sdf`); 
-    
-    
-    my @getbase = split(' ',$tmp); 
-    
-    die "Err: There is no sdf file in the directory $path_input$inputfile.\n\n\n" if (@getbase == 0);
-    
-    foreach $i(0..@getbase-1){
-        
-        if(-e $getbase[$i]){
-            $bn[$ibn] = $getbase[$i];
-            $ibn++; 
-        };	
-    };
-    
-    # read each .sdf and copy information in file: all_mol_fromDir.sdf
-    open(IN,">$fo_allmol");
-    
-    foreach my $i (0..@bn-1){
-        
-        print("\t Copying $bn[$i]...\n");
-        
-        open(OUT,"<$bn[$i]");
-            
-            while(<OUT>){
-                print IN $_;
-                $imol++ if($_ =~ /\$\$\$\$/);
-            }
-        close OUT;
-    }
-    close IN;
-    
-    die "Err: There is no molecule information in the file(s). Please check your inputfile.\n\n\n" if($imol == 0);
-    
-    # redefine the file's name to be read latter
-    $inputfile = $fo_allmol;
-    
-    
-    # screen output
-    print ("\n\t$imol molecules from $ibn file are read from the directory  written in the file $fo_allmol.");
-    
-    
-    
-}
-
-sub read_setting_groupin{
-
-# ----------
-#
-#    read the file setting_group.in to know which functional groups should be splited.
-#
-# ----------
-    
-    # define variables
-    my ($if_print) = @_;
-
-    local *IN;
-    my $n_close = 0, $key, @get;
-    
-    &print_debug('read_setting_groupin');
-    
-    # screen output
-    &print_line("Reading setting_group.in") if ($if_print);
-
-    # if the file setting_group.in cannot be found
-    if(!(-e $fi_setin_group) || !(-f $fi_setin_group)){
-        die "\nErr: Can not find file setting_group.in \n";
-	};
-    
-    # define and copy Hash -> the group names are important and muss be identical in the code
-    %typeGroup = (
-            # one anchor
-            'OH',           'one',
-            'C(H)(H)H',     'one',
-            'C(=O)OH',      'one',
-            'N(H)H',        'one',
-            'VII',          'one',
-            'C+N',          'one',
-            
-            # two anchors
-            'C=O',          'more',
-            'C(=O)C=O',     'more',
-            'C(=O)O',       'more',
-            'O',            'more',
-            'NH',           'more',
-            'C+C',          'more',
-            
-            # three anchors
-            'N',            'more',
-            
-            # four anchors
-            'C=C',          'more',
-            
-            # cycle
-            'cycle',        'more',
-    );
-
-    # save initial HASH
-    %funcGroup = %{typeGroup};
-
-    foreach $key(keys %funcGroup){
-        $funcGroup{$key} = 0;
-    }
-
-    %iniGroup0 = %{funcGroup};
-    
-    
-    # read and save the information from the file setting_group.in in Hash
-    open(IN,"<$fi_setin_group");
-    
-    while(<IN>){
-
-        @get = split(' ',$_);
-        
-        if(($get[0]!~/^#/) && ($get[0] ne '')){
-            
-            $funcGroup{$get[0]} = $get[1];
-            $n_close++ if ($get[1] == 0);
-        };
-    };
-    close(IN);
-
-    die "\nWarning: All groups are closed. Please check the file setting_group.in.\n" if ($n_close eq keys %funcGroup);
-    
-    # screen output
-    if ($if_print){
-
-        &print_screen_log("\n\tThese functional groups are selected to be splited:\n\t");
-    
-        foreach $key(sort keys %funcGroup){
-
-            &print_screen_log("-$key  ") if ($funcGroup{$key} == 1);
-
-        }
-        
-        &print_screen_log("\n");
-    }
-}
-
-sub read_setting_in{
-    
-    
-# ----------
-#
-#    read the file setting.in to get the set up value.
-#
-# ----------
-    
-    # define variables
-    my ($if_print) = @_;
-
-    local *IN;
-    my $n_close = 0, $key, @get;
-    
-    &print_debug('read_setting_in');
-    
-    
-    # screen output
-    &print_line("Reading setting.in") if ($if_print);
-
-    # if the file setting_group.in cannot be found
-    if(!(-e $fi_setin_general) || !(-f $fi_setin_general)){
-        die "Err: Cannot find file setting_group.in \n";
-	};
-    
-    
-    # define and copy Hash -> parameter
-    %tool_para = (
-        'SUBSTITUTION',         0,
-        'WEIGHT',               0,
-        'DEBUG',                0,
-        'TOPMOL',               0,
-        'NRNONH',               0,
-        'NRCH3',                0,
-        'SENDMAIL',             0,
-     
-        'MOLINFO',              0,
-        'LOGLEA',               0,
-        'TXT',                  0,
-        'SDF',                  0,
-        'SDFDIR',               0,
-    );
-        
-    
-    # read and save the information from the file setting_group.in in Hash
-    open(IN,"<$fi_setin_general");
-    
-    while(<IN>){
-
-        @get = split(' ',$_);
-        
-        if(($get[0]!~/^#/) && ($get[0] ne '')){
-
-            $tool_para{$get[0]} = $get[1];
-           
-        };
-    };
-    close(IN);
-
-    # screen and log file output
-    if ($if_print){
-    
-        &print_screen_log("\n\tcontrol parameters:\n");
-
-        if ($tool_para{SUBSTITUTION}){
-            &print_screen_log("\t\tWith substitution of H atom\n");
-        }
-        else{
-            &print_screen_log("\t\tWithout substitution of H atom\n");
-        }
-        
-        if ($tool_para{WEIGHT} == 1){
-        
-            &print_screen_log("\t\t\With weighing of fragments\n");
-        }
-        else{
-        
-            &print_screen_log("\t\tWithout eighing of fragments\n");
-        }
-
-        if ($tool_para{DEBUG} == 1){
-        
-            &print_screen_log("\t\tDebugging modul\n");
-        }
-    }
-
-#     $if_delete = 1; # if delete the redundant fragments
-#     $if_XH = 'withH';
-#     #$if_XH = 'noH';
-#     $all_sdf_file = 0;
-#     
-#     # to debug
-#     $tool_para{DEBUG} = 0; # only for debug (>= 1)
-#     
-
-    # need to add
-    
-}
-
-sub read_origin_mol{
-
-
-# ----------
-# 
-#    read each molecule and handle it
-#
-# ----------
-
-    # screen output
-    &print_debug("read_origin_mol");
-    &print_line("Reading $inputfile");
-    
-    # define variables
-    my $newmol = 1, $i, $j, $k, $line_num, $eachline, $blanc, @get;
-    
-    local $writeoperator, $atomlourd, $rem_CH3 = $funcGroup{CH3}, $atomH, $combine_atomH, $i_charge,  
-          @fonc, @ifonc, @covfonc, @replace_charge_0, @replace_charge_1, 
-          *INMAIN;
-          
-    # read molecules
-    open(INMAIN, "<$_[0]");
-
-    while(<INMAIN>){
-        
-        $eachline=$_;
-
-        if ($newmol){
-            
-            # local variables
-            $line_num = 0;
-            $line_write = 0;
-            $writeoperator = 1;
-            $i = 1;
-            $j = 0;
-            $k = 0; 
-            $newmol = 0;
-            $atomlourd = 0;
-            $blanc = " ";
-            $atomH = 0;
-            $combine_atomH = 0;
-            
-            $i_charge = 0;
-            @replace_charge_0 = '';
-            @replace_charge_1 = '';
-            
-            
-            # global variables
-            $i_mol++;
-            @fonc = '';
-            @ifonc = '';
-            @covfonc = '';
-            @ligne = "";
-        }
-        
-        @get = split(' ', $_);
-        
-        $line_num++;
-
-        $writeoperator = 1 if ($eachline =~/\$\$\$\$/);
-
-        if ($eachline =~/\$\$\$\$/){
-            
-            $writeoperator = 0;
-            $line_write++;
-            
-            chomp($_);
-            $ligne[$line_write]=$_."\n";
-        }
-         
-        if ($writeoperator){
-            $line_write++;
-            $ligne[$line_write]=$_;
-        }
-        
-        # read line 4
-        if ($line_num == 4){
-            $nbatom = $get[0];
-            $nbbond = $get[1];
-            
-            die "\nErr: There is something wrong in your inputfile. Please check if the sdf format is right.\n\n\n" if ((!(looks_like_number($nbatom))) || (!(looks_like_number($nbbond))));
-        }
-        
-        # read and save information of each atom
-        if (($line_num > 4) && ($i <= $nbatom)){
-            $corx[$i] = $get[0];
-            $cory[$i] = $get[1];
-            $corz[$i] = $get[2];
-            $atom[$i] = $get[3];
-            
-            if(($atom[$i] eq 'H') && ($atomH == 0)){
-                $atomH = $i;
-            }
-            
-            $atomlourd++ if($atom[$i] ne 'H'); 
-
-            $i++;
-        }
-        
-        # read and bond information
-        if (($line_num > 4) && ($i > $nbatom) && ($j <= $nbbond)){
-            
-            if ($j == 0) {
-                $j++;
-            }
-            else{
-                
-                @coller=split(' *',$get[0]);
-                @coller2=split(' *',$get[1]);
-                
-                if(@coller==6 && $get[1] ne ""){
-                    $get[0]=$coller[0].$coller[1].$coller[2];
-                    $get[2]=$get[1];
-                    $get[1]=$coller[3].$coller[4].$coller[5];
-                }   
-                elsif(@coller==6 && $get[1] eq ""){
-                        $get[0]=$coller[0].$coller[1];
-                        $get[1]=$coller[2].$coller[3].$coller[4];
-                        $get[2]=$coller[5];
-                }
-                elsif(@coller==5){
-                    if($_=~/^\s/){
-                        $get[0]=$coller[0].$coller[1];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[2].$coller[3].$coller[4];
-                    }
-                    else{
-                        $get[0]=$coller[0].$coller[1].$coller[2];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[3].$coller[4];
-                    };
-                }
-                elsif(@coller2==4){
-                        $get[1]=$coller2[0].$coller2[1].$coller2[2];
-                        $get[2]=$coller2[3];
-                }
-                elsif(@coller==7){
-                        $get[0]=$coller[0].$coller[1].$coller[2];
-                        $get[1]=$coller[3].$coller[4].$coller[5];
-                        $get[2]=$coller[6];
-                };
-                
-                die "\nErr: There is something wrong in your inputfile. Please check if the sdf format is right.\n\n\n" 
-                if ((!(looks_like_number($get[0]))) || (!(looks_like_number($get[1]))) || (!(looks_like_number($get[2]))) );
-                
-                if($combine_atomH == 0){
-                    
-                    if ($get[0]== $atomH){
-                        $combine_atomH = $get[1];
-                    }
-                    elsif ($get[1] == $atomH){
-                        $combine_atomH = $get[0];
-                    }
-                }	
-                
-                # change bond because of charge
-                
-                if(($remember_charge[$i_mol] =~/--$get[0]-$get[1]-/) || ($remember_charge[$i_mol] =~/--$get[1]-$get[0]-/)){
-#                 print "$remember_charge[$i_mol] =~/-$get[0]-$get[1]/\n\n ";
-#                 print "line is: $ligne[$line_write]";
-#                     print "$get[0]++$get[1]++$get[2]\n";
-                    $get[2]++; 
-                    
-                    @get_tmp = '';
-                    @get_tmp = @get;
-                    
-                    foreach my $item(0..@get_tmp-1){ 
-                        if($get_tmp[$item] < 10){
-                            $get_tmp[$item] = '  '.$get_tmp[$item];
-                        }
-                        elsif($get_tmp[$item] < 100){
-                            $get_tmp[$item] = ' '.$get_tmp[$item];
-                        }
-                    }
-                    
-                    $replace_charge_0[$i_charge] = $line_write.'+'.$ligne[$line_write];
-                    $replace_charge_1[$i_charge] = join('', @get_tmp);
-                    $replace_charge_1[$i_charge] =$line_write.'+'.$replace_charge_1[$i_charge]."\n";  
-                    
-                    $i_charge++;
-                }
-                
-                # remember the combination information of each bond
-                $fonc[$get[0]]=$fonc[$get[0]].$blanc.$get[2].'-'.$atom[$get[1]].$blanc;
-                $ifonc[$get[0]]=$ifonc[$get[0]].$blanc.$get[1].$blanc;
-                $covfonc[$get[0]]=$covfonc[$get[0]].$blanc.$get[2] if($atom[$get[1]] ne 'H');
-                $nbondAtom[$get[0]]=$nbondAtom[$get[0]]+$get[1];
-                
-                $fonc[$get[1]]=$fonc[$get[1]].$blanc.$get[2].'-'.$atom[$get[0]].$blanc;
-                $ifonc[$get[1]]=$ifonc[$get[1]].$blanc.$get[0].$blanc;
-                $covfonc[$get[1]]=$covfonc[$get[1]].$blanc.$get[2] if($atom[$get[0]] ne 'H');
-                $nbondAtom[$get[1]]=$nbondAtom[$get[1]]+$get[1];
-
-                $j++;
-            }
-        }
-        
-        # finish to read one molecule 
-        if ($eachline =~/\$\$\$\$/){
-            
-           # unlink glob "'dissociated*'";
-            
-            # operator of the file dissociated_nr.sdf.
-            $new_dissociated = 1;
-            
-            # the LEA String and its fragments of each molecule
-            $mol_main_tmp = '';  
-            $mp_main_tmp = '';  
-            
-            # open to split single-anchor-fragment
-            $remember_one_anchor = 0;
-            $split_one_anchor = 0; 
-            $close_CH3 = 0;
-            $nr_add_frag = 0;
-            
-            # remember original combination
-            @ligne_origin = '';
-            @ligne_origin = @ligne;
-            
-            # screen output
-            print "\n\tThis is molecule: $i_mol\n";
-            
-            print "\t\tThere are more than $tool_para{NRNONH} heavy atoms. I am trying to split it...
-            \n" if ($atomlourd > $tool_para{NRNONH});
-           
-            # about cycle
-            @cycle_one_mol = split(' ', $cycle_atom[$i_mol]);
-            $split_cycle = 1;
-
-            # check if fused Rings are included 
-            if(@cycle_one_mol > 2){
-                &check_cycle;
-            }
-            else{
-                $cycle_atoms_one = $cycle_atom[$i_mol];
-                $cycle_atoms_one =~ s/ /-/g;
-                $cycle_atoms_one = '-'.$cycle_atoms_one.'-';
-            }
-
-	    
-            # find the functional groups of this molecule
-            &find_group('1');
-            
-            if($ngroupAll > 0){
-                
-                foreach $i_replace(0..@replace_charge_1-1){
-                
-                    my @replace_item = split('\+', $replace_charge_1[$i_replace]);
-    
-                    $ligne[$replace_item[0]] = $replace_item[1] if($replace_item[0] ne '');
-                    $ligne_origin[$replace_item[0]] = $replace_item[1] if($replace_item[0] ne '');
-                }
-            
-            }
-            # check comlexity
-            if(($ngroup_multi > 1) && ($atomlourd > $tool_para{NRNONH})){
-                
-                print "\n\t\t-> This molecule is too hard for me and it will be written as one fragment.\n";
-                $failed_mol = $failed_mol.' '.$i_mol;
-                
-                # if the molecule too hard to split
-                &change_mol_2_frag;
-                
-                &write_mol_info;
-            }
-            else{
-                
-                if($ngroup_single > 0){
-
-                    if(($ngroup_single == $nrGroup{'C(H)(H)H'}) && ($nrGroup{'C(H)(H)H'} > $tool_para{NRCH3}) && ($ngroup_multi != 0)){
-                        
-                        $remember_one_anchor = 0;
-                        $close_CH3 = 1;
-                        
-                        print "\n\t\t-> Split -CH3 closed!\n";
-                    }
-                    elsif($nrGroup{'C(H)(H)H'} > $tool_para{NRCH3}){  # changed --Yifan
-                    
-                        $close_CH3 = 1;
-                        $remember_one_anchor = 1;
-                        print "\n\t\t-> Split -CH3 closed!\n";
-                    }
-                    else{
-                    
-                        $close_CH3 = 0;
-                        $remember_one_anchor = 1;
-                    }
-                }
-                
-                # write the information of groups in file: mol_group_info.txt, die read by sub find_group
-                &write_mol_info;
-                
-                # to split the f-groups
-                &control_cut('is_origin', '');
-
-                unlink $ft_single;
-                
-                $split_one_anchor = 1 if ($remember_one_anchor == 1);
-                
-                # to split single anchor
-                if ($split_one_anchor == 1){
-                    
-                    my $OPENTMP;
-                    
-                    my $filetemp = $ft_copy_all;
-                                
-                    open ($OPENTMP, "<$filetemp");
-                        
-                        &read_temp_frag(*$OPENTMP);
-                    
-                    close $OPENTMP;
-                    
-                    unlink $ft_copy_all;
-                    rename $ft_single, $ft_copy_all;
-                    
-                }
-            }
-            
-            # move all fragment to dis
-            &move_all_2_diss;
-            
-            $funcGroup{CH3} = $rem_CH3; 
-            $mol[$i_mol] = $mol_main_tmp;
-            $molping[$i_mol] = $mp_main_tmp;
-            $split_one_anchor = 0;
-            $newmol=1;
-            
-#             print "mol and molping in read_origin_mol: $mol[$i_mol] \t$molping[$i_mol] \n";
-
-        }
-        
-        
-    }
-    close INMAIN;
-    
-    
-}
-
-sub read_temp_frag{
-
-# ----------
-#
-#   read fragments
-#
-# ----------
-    
-    my $new_frag = 1, $i_frag = 0, $conv2, $i, $j, $k, $writeoperator, $compt, @get, @coller, @coller2;
-    local $i_addfrag = 0, $line_write, @fonc, @ifonc, @covfonc, @ligne;
-
-    local *OPENTEMPAll = shift;
-
-    while(<OPENTEMPAll>){
-
-        $conv2=$_;
-        
-        if ( $new_frag){
-             
-             $i_frag++;
-             $compt = 0;
-             $line_write = 0;
-             $writeoperator = 1;
-             $i = 1;
-             $j = 0;
-             $k = 0; 
-             $blanc=" ";
-             $new_frag = 0;
-             $atomlourd = 0;
-             
-             @fonc='';
-             @ifonc='';
-             @covfonc='';
-             @ligne='';
-        }
-
-        @get = split(' ', $_);
-        $compt++;
-
-        $writeoperator = 1 if ($conv2 =~/\$\$\$\$/);
-        
-        if ($writeoperator){
-            $line_write++;
-            $ligne[$line_write]="$_";
-        }
-        
-        if (($get[0] eq 'M') && ($get[1] eq 'END')){
-            
-            $writeoperator = 0;  
-        }
-        if ($compt == 4){
-            
-            $nbatom = $get[0];
-            $nbbond = $get[1];
-            
-            die "\nErr: There is something wrong in your inputfile. Please check if the sdf format is right.\n\n\n" if ((!(looks_like_number($nbatom))) || (!(looks_like_number($nbbond))));
-        }
-        
-        if (($compt > 4) && ($i <= $nbatom)){
-            
-            $corx[$i] = $get[0];
-            $cory[$i] = $get[1];
-            $corz[$i] = $get[2];
-            $atom[$i] = $get[3];
-            $atomlourd++ if($atom[$i] ne 'H'); 
-
-            $i++;
-        }
-        
-        if (($compt > 4) && ($i > $nbatom) && ($j <= $nbbond)){
-            
-            if ($j == 0) {
-                $j++;
-            }
-            else{
-                
-                @coller=split(' *',$get[0]);
-                @coller2=split(' *',$get[1]);
-                
-                if(@coller==6 && $get[1] ne ""){
-                    $get[0]=$coller[0].$coller[1].$coller[2];
-                    $get[2]=$get[1];
-                    $get[1]=$coller[3].$coller[4].$coller[5];
-                }   
-                elsif(@coller==6 && $get[1] eq ""){
-                        $get[0]=$coller[0].$coller[1];
-                        $get[1]=$coller[2].$coller[3].$coller[4];
-                        $get[2]=$coller[5];
-                }
-                elsif(@coller==5){
-                    if($_=~/^\s/){
-                        $get[0]=$coller[0].$coller[1];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[2].$coller[3].$coller[4];
-                    }
-                    else{
-                        $get[0]=$coller[0].$coller[1].$coller[2];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[3].$coller[4];
-                    };
-                }
-                elsif(@coller2==4){
-                        $get[1]=$coller2[0].$coller2[1].$coller2[2];
-                        $get[2]=$coller2[3];
-                }
-                elsif(@coller==7){
-                        $get[0]=$coller[0].$coller[1].$coller[2];
-                        $get[1]=$coller[3].$coller[4].$coller[5];
-                        $get[2]=$coller[6];
-                };
-                
-                die "\nErr: There is something wrong in your inputfile. Please check if the sdf format is right.\n\n\n" 
-                if ((!(looks_like_number($get[0]))) || (!(looks_like_number($get[1]))) || (!(looks_like_number($get[2]))) );
-                
-                $fonc[$get[0]]=$fonc[$get[0]].$blanc.$get[2].'-'.$atom[$get[1]].$blanc;
-                $ifonc[$get[0]]=$ifonc[$get[0]].$blanc.$get[1].$blanc;
-                $covfonc[$get[0]]=$covfonc[$get[0]].$blanc.$get[2] if(($atom[$get[1]] ne 'H') && ($atom[$get[1]] ne 'X'));
-                $nbondAtom[$get[0]]=$nbondAtom[$get[0]]+$get[1];
-                
-                $fonc[$get[1]]=$fonc[$get[1]].$blanc.$get[2].'-'.$atom[$get[0]].$blanc;
-                $ifonc[$get[1]]=$ifonc[$get[1]].$blanc.$get[0].$blanc;
-                $covfonc[$get[1]]=$covfonc[$get[1]].$blanc.$get[2] if(($atom[$get[0]] ne 'H') && ($atom[$get[1]] ne 'X'));
-                $nbondAtom[$get[1]]=$nbondAtom[$get[1]]+$get[1];
-
-                $j++;
-            }
-        }
-        
-        if ($conv2 =~/\$\$\$\$/){
-            
-            &read_setting_groupin if ($split_one_anchor == 0);
-            
-            if ($split_one_anchor == 0){
-            
-                $istratom = $nbatom;
-                
-                # find cycle combination of fragment
-                &cyclesdf('sub');
-                
-                @cycle_one_mol = split(' ', $cycle_atom_sub);
-                $split_cycle = 1;
-                
-                if(@cycle_one_mol > 2){
-                    &check_cycle;
-                }
-                else{
-                    $cycle_atoms_one = $cycle_atom_sub;
-                    $cycle_atoms_one =~ s/ /-/g;
-                    $cycle_atoms_one = '-'.$cycle_atoms_one.'-';
-                }
-
-            }
-
-            &find_group;
-            
-         #   <STDIN> if($tool_para{DEBUG});
-            
-            if ($split_one_anchor == 0){
-
-                &control_cut('is_temp_frag', $i_frag);
-                
-            }
-            elsif($split_one_anchor == 1){
-                
-                if(($ngroup_single == $nrGroup{'C(H)(H)H'}) && ($close_CH3) && ($nrGroup{'C(H)(H)H'} != 0)){
-                    
-                    $ngroup_single = 0;
-                    &control_cut('is_one_anchor', $i_frag + $i_addfrag);
-                    
-                }
-                else{
-            
-                    $funcGroup{CH3} = 0 if ($close_CH3);
-                    &control_cut('is_one_anchor', $i_frag + $i_addfrag);
-               }
-            }   
-            
-            $new_frag = 1;
-        }
-        
-    }
-
-}
-
-sub read_all_frag{
-
-# ----------
-#
-# read fragment for different subs 
-#
-# ----------
-    
-    my ($readfile, $which_call, $operator) = @_;
-    
-    &print_debug('read_all_frag', $readfile, $which_call) if ($tool_para{DEBUG});
-    
-    local *READ;
-    
-    local $new_one = 1, $conv2, $compt, $i, $j, $k, $blanc, $comp2, $nbatom, $nbond, $istratom, $lignedata, $flagdata, $differentiel, $differentielx;
-    
-    local @bond, @listb, @typeb, @type, @corx, @cory, @corz, @lignecor, @lignebond, @ligne, @copylign, $nomol, @fonc; @ifonc;
-
-    open(READ, "<$readfile");
-    
-    while(<READ>){
-
-        $conv2=$_;
-
-        if ($new_one){
-
-            $compt = 0;
-            $i = 1;
-            $j = 0;
-            $k = 0;
-            
-            $blanc=" ";
-            @bond='';
-            @listb='';
-            
-            @fonc = '';
-            @ifonc = '';
-            
-            @typeb='';
-            @type='';
-            @corx='';
-            @cory='';
-            @corz='';
-            
-            @lignecor='';
-            @lignebond='';
-            @ligne = '';
-            
-            $lignedata='';
-            $flagdata=0;
-            $new_one=0;
-            $differentiel=0;
-            $differentielx=0;
-            $nr_mol++;
-            
-            # add number of each fragment
-            if ($which_call eq 'sort_redundant'){
-
-                chop($conv2);
-                $conv2 = $conv2."---frag.$nr_mol\n";
-            }
-            
-        };
-
-        
-        @get = split(' ',$_);
-        
-        $ligne[$compt] = $_;
-       
-        
-        $LIGEND[$nr_mol]=$LIGEND[$nr_mol].$conv2 if ($which_call eq 'sort_redundant');
-        
-        $compt++;
-        
-        if (($conv2 =~/^M  CHG/) && ($which_call eq 'find_cycle') && ($readfile eq $inputfile)){
-        
-            # check the line items
-            
-            die if (($get[0] ne 'M') || ($get[1] ne 'CHG'));
-            
-            foreach my $item(2..@get-1){
-                
-                die if(!looks_like_number($get[$item]));
-            }
-            
-            my $charge_par = $get[2]/2;
-            
-            foreach $item(0..$charge_par-1){
-                
-                die if (($get[4*$item+4] > 1) || ($get[4*$item+6] > 1));
-                
-                if ($remember_charge[$nr_mol] eq ''){
-                    $remember_charge[$nr_mol] = '--'.$get[4*$item+3].'-'.$get[4*$item+5].'-';
-                }
-                else{
-                    $remember_charge[$nr_mol] = $remember_charge[$nr_mol].'-'.$get[4*$item+3].'-'.$get[4*$item+5].'-';
-                }
-            
-            }
-            
-#             print "remeber:$remember_charge[$nr_mol]\n";
-        }
-        
-        
-
-        if (($compt > 4) && ($i <= $nbatom)){
-            
-            if ($which_call eq 'change_H2X'){
-                
-                $comp2 = $compt-4;
-                
-                if ($operator){
-                    if ($get[3] eq 'H'){
-                        $_ =~ s/ H / X /g;
-                        $get[3] = 'X';
-                    }
-                }
-                
-                $point = $point.'-'.$comp2.'-' if ($get[3] eq "X");
-            
-            }
-            else{
-                
-                $corx[$i]=$get[0];
-                $cory[$i]=$get[1];
-                $corz[$i]=$get[2];
-                $type[$i]=$get[3]; 
-            
-                $lignecor[$i]=$_;
-
-            }
-            
-            $i++;
-        };
-
-        if (($compt > 4) && ($i > $nbatom) && ($j <= $nbond)){
-            
-            if ($j == 0){
-                $j++;
-                $point = $point."-" if ($which_call eq 'change_H2X');
-            }
-            else{
-            
-                @coller=split(' *',$get[0]);
-                @coller2=split(' *',$get[1]);
-                
-                if(@coller==6 && $get[1] ne ""){
-                    $get[0]=$coller[0].$coller[1].$coller[2];
-                    $get[2]=$get[1];
-                    $get[1]=$coller[3].$coller[4].$coller[5];
-                }
-                elsif(@coller==6 && $get[1] eq ""){
-                    $get[0]=$coller[0].$coller[1];
-                    $get[1]=$coller[2].$coller[3].$coller[4];
-                    $get[2]=$coller[5];
-                }
-                elsif(@coller==5){
-                    
-                    if($_=~/^\s/){
-                        $get[0]=$coller[0].$coller[1];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[2].$coller[3].$coller[4];
-                    }
-                    else{
-                        $get[0]=$coller[0].$coller[1].$coller[2];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[3].$coller[4];
-                    };
-                }
-                elsif(@coller==4){
-                    if($_=~/^\s/){
-                        $get[0]=$coller[0];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[1].$coller[2].$coller[3];
-                    }
-                    else{
-                        $get[0]=$coller[0].$coller[1].$coller[2];
-                        $get[2]=$get[1];
-                        $get[1]=$coller[3];
-                    };					
-                }
-                elsif(@coller2==4){
-                    $get[1]=$coller2[0].$coller2[1].$coller2[2];
-                    $get[2]=$coller2[3];
-                }
-                elsif(@coller==7){
-                    $get[0]=$coller[0].$coller[1].$coller[2];
-                    $get[1]=$coller[3].$coller[4].$coller[5];
-                    $get[2]=$coller[6];
-                };
-                
-                die "\nErr: There is something wrong by the molecule $nr_mol in your inputfile. Please check if the sdf format is right.\n\n\n" 
-                
-                if ((!(looks_like_number($get[0]))) || (!(looks_like_number($get[1]))) || (!(looks_like_number($get[2]))) );
-                
-                if (($which_call eq 'find_cycle') ||($which_call eq 'sort_redundant')){
-                    
-                    $bond[$get[0]]=$bond[$get[0]].$blanc.$get[1].$blanc.$get[2];
-                    $listb[$get[0]]=$listb[$get[0]].$blanc.$get[1];
-                    $typeb[$get[0]]=$typeb[$get[0]].$blanc.$get[2];
-
-                    $bond[$get[1]]=$bond[$get[1]].$blanc.$get[0].$blanc.$get[2];
-                    $listb[$get[1]]=$listb[$get[1]].$blanc.$get[0];
-                    $typeb[$get[1]]=$typeb[$get[1]].$blanc.$get[2];
-                    
-                    $fonc[$get[0]]=$fonc[$get[0]].$blanc.$get[2].'-'.$type[$get[1]].$blanc;
-                    $fonc[$get[1]]=$fonc[$get[1]].$blanc.$get[2].'-'.$type[$get[0]].$blanc;
-                    
-                    $ifonc[$get[0]]=$ifonc[$get[0]].$blanc.$get[1].$blanc;
-                    $ifonc[$get[1]]=$ifonc[$get[1]].$blanc.$get[0].$blanc;
-                    
-                    $lignebond[$j]=$_;
-                }
-                elsif($which_call eq 'change_H2X'){
-                    
-                    if($point=~/\-$get[0]\-/){
-
-                        $point2=$point2."-".$get[1];
-                    }
-                    elsif($point=~/-$get[1]-/){
-                        $point2=$point2."-".$get[0];
-                    };
-                }
-
-                $j++;
-            };
-        };
-        
-        if($which_call eq 'change_H2X'){
-            
-            if($_=~/<POINTS>/){
-
-                if($point2 ne ''){
-                    $point2=~s/^-//;
-                    $point2=~s/-$//;
-                    
-                    print DOC "> <POINTS>\n";
-                    print DOC "$point2\n";
-                    print DOC "\n";
-                    
-                };
-                $ecrit=0;
-                $pasvu=0;
-            }
-            elsif($_=~/^\$\$\$\$/){
-                if($pasvu){
-                
-                    if($point2 ne ''){
-                    
-                        $point2 =~ s/^-//;
-                        $point2 =~ s/-$//;
-                        print DOC "> <POINTS>\n";
-                        print DOC "$point2\n";
-                        print DOC "\n";
-                    };
-                };
-                
-                $nb++;
-                $point="";
-                $point2="";
-                $pasvu=1;
-
-                print DOC $_;	
-            }
-            elsif($ecrit){
-                print DOC $_;
-            };
-                $ecrit=1 if($get[0] eq ''); 	
-        
-        }
-
-        if($compt > 4 && $i > $nbatom && $j > $nbond){
-            $flagdata=1 if($_=~/^>/ && ($_=~/CAS/ || $_=~/cas/ || $_=~/NAME/ || $_=~/MDLNUMBER/ || $_=~/ZINC/));
-        };	
-        
-        if ($compt == 4){
-            
-            $nbatom = $get[0];
-            $nbond = $get[1];
-
-            @coller=split(' *',$nbatom);
-            
-            if(@coller > 3 && @coller == 6){
-                $nbatom=$coller[0].$coller[1].$coller[2];
-                $nbond=$coller[3].$coller[4].$coller[5];
-            }
-            elsif( @coller > 3 && @coller == 5){
-                
-                if($_=~/^\s/){
-                    $nbatom=$coller[0].$coller[1];
-                    $nbond=$coller[2].$coller[3].$coller[4];
-                }
-                else{
-                    $nbatom=$coller[0].$coller[1].$coller[2];
-                    $nbond=$coller[3].$coller[4];
-                };
-            };
-            
-            die "\nErr: There is something wrong by molecule $nr_mol in your inputfile. Please check if the sdf format is right.\n\n\n" if ((!(looks_like_number($nbatom))) || (!(looks_like_number($nbond))));
-        };
-        
-        
-        if ($which_call eq 'sort_redundant'){
-            
-            if($readPOINT eq 1){
-                
-                chomp($XPOINT[$nr_mol] = $conv2);
-            
-                $readPOINT = 0;
-            }
-            
-            $readPOINT = 1 if ($conv2 =~/POINTS/);
-        
-        
-        }
-        
-        if ($conv2 =~/\$\$\$\$/){
-            
-            if ($which_call eq 'find_cycle'){
-
-                @copylign = ''; 
-                @copylign = @lignecor;
-                
-                $istratom = $nbatom;
-                
-                &cyclesdf;
-            
-                &changebond;
-            }
-            elsif($which_call eq 'sort_redundant'){
-                
-                $FONC[$nr_mol] = join('+++', @fonc);
-
-                $IFONC[$nr_mol] = join('+++', @ifonc);
-
-                $NBATOM[$nr_mol] = $nbatom;
-                $NBBOND[$nr_mol] = $nbond;
-                $ATOM[$nr_mol] = join('+++', @type);
-
-            }
-            
-            $flagdata=0;
-            $new_one=1;
-        }
-        
-    } 
-    
-    close (READ);
-
-}
-
-sub read_str{
-
-# ----------
-#
-# read mol and molping from summary.out
-#
-# ----------
-
-
-    local *FILESUM;
-    my @line_temp = '', @line_final= '';
-    
-    (@mol, @molping)= ('','');
-    
-    open(FILESUM, "<$_[0]");
-    
-    while(local $row = <FILESUM>){ 
-        
-        chomp $row;
-        
-        # see summary file
-        @line_temp = split(/\s*\|\s*/,$row); 
-        @line_final = split(/\s*\/\s*/,$line_temp[5]);
-
-        # save mol and molping
-        if ($. >= 5){
-            $mol[$.-5]     = $line_final[0];
-            $molping[$.-5] = $line_final[1];
-        }
-    }
-            
-    close FILESUM;
-}
diff --git a/workspace/Initialisation/Code/SORT.pl b/workspace/Initialisation/Code/SORT.pl
deleted file mode 100644
index 1342834..0000000
--- a/workspace/Initialisation/Code/SORT.pl
+++ /dev/null
@@ -1,722 +0,0 @@
-#!/usr/bin/perl
-
-print "SORT OK \n";
-
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-#       
-#               all subs about sort things
-#
-#
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-
-# ------------------------------------
-sub sort_molping{
-
-# ----------
-#
-# Sort the lea-string so that they can be read by LEA3D.
-#
-# ----------
-
-    &print_line('Sorting molping') if($tool_para{DEBUG});
-    
-    local $i, $j, $not_change, $car, @each_mp, @count_used = '';
-    
-    my $m_start1, $m_start2, $mol_end, $mp_save;
-
-    # foreach molecule
-    foreach $i_mol(1..@mol-1){
-
-        #print "this is $i_mol\n"; #if($tool_para{DEBUG} == 1);
-#         print "in sort_molping:$i_mol\t$mol[$i_mol]\t$molping[$i_mol]\n"; #if($tool_para{DEBUG} == 1);
-
-        @each_mp = split(' ', $molping[$i_mol]);
-        
-        $mp_save = $molping[$i_mol];
-        $molping[$i_mol] = '';
-        $mp_search = '';
-        
-        $not_change = 0;
-        @count_used = '';
-
-         # if the molecule consists of more than one fragment
-        
-        if(@each_mp < 3){
-            $not_change = 1;
-        }
-        elsif(@each_mp > 2){
-        
-            $m_start1 = 0;
-            $m_start2 = 1;
-            
-            $molping[$i_mol] = '';
-            $mol_end = '';
-            
-            $car = $mol[$i_mol];
-            
-            @get_mol = split(' ', $mol[$i_mol]);
-
-            foreach $j(0..@each_mp-1){
-
-                # count how many the fragment $each_mp[$j] is used
-                my $ncc1 = $car =~s/^$each_mp[$j]\*/^$each_mp[$j]\*/g;
-                my $ncc2 = $car =~s/ $each_mp[$j]\*/ $each_mp[$j]\*/g;
-                my $ncc3 = $car =~s/-$each_mp[$j]\*/-$each_mp[$j]\*/g;
-
-                my $ncc = $ncc1+$ncc2+$ncc3;
-                
-#                 print "$each_mp[$j]\t$ncc\n";
-                
-                $count_used[$j] = $ncc;
-            
-                if ($ncc eq @get_mol){
-                    
-                    if ($j eq 0){
-                        $not_change = 1;
-                    }
-                    else{
-                        $mp_search = $each_mp[$j];
-                    }
-                    last; 
-                }
-                
-            }
-            
-            @get_mol = '';
-            
-            @get_mol = split(' ', $mol[$i_mol]);
-            
-            $count_1 = 0;
-            $count_2 = 0;
-            
-            if ($mp_search eq ''){
-
-                foreach $j(0..@count_used-1){
-                    $count_1++ if ($count_used[$j] == 1);
-                    $count_2++ if ($count_used[$j] == 2);
-                }
-                
-                if(($count_1 == 2) && (@count_used == ($count_1 + $count_2))){
-                    
-                    foreach $j(0..@count_used-1){
-                        $mp_search = $each_mp[$j] if ($count_used[$j] == 1);
-                    }
-                
-                }
-                
-                if ($mp_search eq ''){
-                    $max_used = max @count_used;
-                
-                
-                    foreach $j(0..@count_used-1){
-                        if ($count_used[$j] eq $max_used){
-                            $mp_search = $each_mp[$j];
-                            last;
-                        }
-                    }       
-#                     print "@count_used++$max_used\n";
-                }
-            }
-            
-            $molping[$i_mol] = $mp_search;
-        }
-
-        $is_all_de = 0;
-        
-        @get_mol='';
-        @get_mol = split(' ', $mol[$i_mol]);
-        
-        $count_gm = @get_mol;
-        $max_used++ if ($max_used > 1);
-        
-
-        my $i_while = 0;
-        my $used_mp_start = '';
-        my $atom_save = '';
-        my $j_while = 0;
-        
-        $used_mp_start = ' '.$mp_search.' ';
-        $atom_save = ' '.$mp_search.' ';
-            
-            while(($is_all_de < $count_gm) && (!$not_change)){
-                
-                foreach $iget_mol(0..@get_mol-1){
-                   
-                    if ($max_used > 1){
-                    
-                        @get = split(' ', $atom_save);
-                        
-                        $mp_search = $get[0];
-                        $max_used--,
-
-                    }
-                    
-                    if($get_mol[$iget_mol] ne ''){
-                    
-                        #print "vor:$get_mol[$iget_mol]\n" if($tool_para{DEBUG} == 10);
-                    
-                        $molping_tmp = ' '.$molping[$i_mol].' ';
-                    
-                        $used_mp_start = $used_mp_start.' '.$mp_search.' ' if ($used_mp_start !~ / $mp_search /);
-                    
-                        $changed = 0;
-                    
-                        if($get_mol[$iget_mol] =~ /^$mp_search\*/){
-                        
-                            my @mol2 = split('-', $get_mol[$iget_mol]);
-                            my @mol3 = split('\*', $mol2[1]);
-
-                            
-                            @get = split(' ', $atom_save);
-                            
-                            if ($atom_save !~ / $mp_search /){
-                                $atom_save = $atom_save.' '.$mp_search.' ';
-                                $m_start1 = @get + 1;
-                            }
-                            else{
-                            
-                                foreach $j(0..@get-1){
-                                    $m_start1 = $j + 1 if ($mp_search eq $get[$j]);
-                                }
-                            }
-                            
-                            $mp_search = $mol3[0];
-                            
-                            @get = split(' ', $atom_save);
-                            
-                            if ($atom_save !~ / $mp_search /){
-                                $atom_save = $atom_save.' '.$mp_search.' ';
-                                $m_start2 = @get + 1;
-                            }
-                            else{
-                                
-#                                 @get = split(' ', $atom_save);
-                        
-                                foreach $j(0..@get-1){
-                                    $m_start2 = $j + 1 if ($mp_search eq $get[$j]);
-                                }
-                            }
-                        
-                            if($molping_tmp=~/ $mol3[0] /){
-                                
-                                $mol2[1] = $m_start2.'*'.$mol3[1];
-                                my @mol3 = split('\*', $mol2[0]);
-                                $mol2[0] = $m_start1.'*'.$mol3[1];
-                                
-                                
-                            }
-                            else{
-                                
-                                $molping[$i_mol] = $molping[$i_mol].' '.$mol3[0];
-                                $mol2[1] = $m_start2.'*'.$mol3[1];
-                            
-                                my @mol3 = split('\*', $mol2[0]);
-                            
-                                $mol2[0] = $m_start1.'*'.$mol3[1];
-                            
-                            }
-                        
-                            $changed = 1;
-                            $get_mol[$iget_mol] = join('-',@mol2);
-                            
-                            if ($mol_end eq ''){
-                                $mol_end = $get_mol[$iget_mol];
-                            }
-                            else{
-                                $mol_end = $mol_end.'_'.$get_mol[$iget_mol];
-                            }
-                            
-                            $get_mol[$iget_mol] = '';
-                            $is_all_de++;
-
-                        }
-                        elsif($get_mol[$iget_mol]=~/-$mp_search\*/){
-                        
-                            my @mol2 = split('-', $get_mol[$iget_mol]);
-                            my @mol3 = split('\*', $mol2[0]);
-                            
-                            @get = split(' ', $atom_save);
-                            
-                            if ($atom_save !~ / $mp_search /){
-                                $atom_save = $atom_save.' '.$mp_search.' ';
-                                $m_start1 = @get + 1;
-                            }
-                            else{
-#                                 @get = split(' ', $atom_save);
-                        
-                                foreach $j(0..@get-1){
-                                    $m_start1 = $j + 1 if ($mp_search eq $get[$j]);
-#                                   print "\nm_start1 is $m_start1\n";
-                                }
-                            }
-                            
-                            $mp_search = $mol3[0];
-                            
-                            @get = split(' ', $atom_save);
-
-                            if ($atom_save !~ / $mp_search /){
-                                $atom_save = $atom_save.' '.$mp_search.' ';
-                                $m_start2 = @get +1 ;
-                            }
-                            else{
-                                
-                                @get = split(' ', $atom_save);
-                        
-                                foreach $j(0..@get-1){
-                                    $m_start2 = $j +1 if ($mp_search eq $get[$j]);
-                                }
-                            }
-                            
-#                             print "m_star is: $m_start1+++$m_start1";
-                            
-                            if($molping_tmp=~/ $mol3[0] /){
-
-                                $mol2[0] = $m_start1.'*'.$mol3[1];
-                                my @mol3 = split('\*', $mol2[1]);
-                                
-                                $mol2[1] = $m_start2.'*'.$mol3[1];
-                                
-                                if ($m_start2 < $m_start1 ){
-                            
-                                $get_mol[$iget_mol] = $mol2[1].'-'.$mol2[0];
-                                }
-                                else{
-                                
-                                    $get_mol[$iget_mol] = join('-',@mol2);
-                                }
-                                
-                            }
-                            else{
-                                
-                                $molping[$i_mol] = $molping[$i_mol].' '.$mol3[0];
-                                
-                                $mol2[0]=$m_start2.'*'.$mol3[1];
-                                my @mol3 = split('\*', $mol2[1]);
-                                $mol2[1]=$m_start1.'*'.$mol3[1];
-                                $get_mol[$iget_mol] = $mol2[1].'-'.$mol2[0];
-                            }
-                            
-                            $changed = 1;
-                            
-                            if ($mol_end eq ''){
-                                $mol_end = $get_mol[$iget_mol];
-                            }
-                            else{
-                                $mol_end = $mol_end.'_'.$get_mol[$iget_mol];
-                            }
-                            
-                            $get_mol[$iget_mol] = '';
-                            $is_all_de++;
-                        }
-
-#                         print "nach:$mol_end\n\n" if($tool_para{DEBUG} == 10);
-                        }
-                    }
-                
-                    if (~$changed){
-                        
-                        my @get = split(' ', $atom_save);
-
-                        $mp_search = $get[$j_while];
-
-                        $j_while++;
-                        
-                        $j_while = 0 if ($j_while == @get);
-                        
-                    
-                    }
-                    
-                    $i_while++;
-                    
-                    if($i_while > 100){ # not stark!!!!!!!!
-                        &sendmail;
-                        die;
-                    }
-                }
-                
-            if ($not_change == 1){
-                 
-                $mp_start = 1;
-            
-                foreach $j(0..@each_mp-1){
-                                                    
-                    $mol[$i_mol]=~s/^$each_mp[$j]\*/$mp_start\*/g;
-                    $mol[$i_mol]=~s/ $each_mp[$j]\*/ $mp_start\*/g;
-                    $mol[$i_mol]=~s/-$each_mp[$j]\*/-$mp_start\*/g;
-                    $mp_start++;
-                }
-            
-                $mol[$i_mol] =~ s/ /_/g;
-                $molping[$i_mol] = $mp_save;    
-            }
-            else{
-                $mol[$i_mol] = $mol_end;
-            }
-            
-#             print "nach:mol[$i_mol]==$molping[$i_mol]\n";
-        }
-}
-
-sub sort_redundant{
-
-# ----------
-#
-# delete the redundant fragments
-# -> the mol and molping also need to be changed
-#
-# ----------
-
-    &print_line('Deleting redundant fragments');
-    
-    # define file name
-    local $in_su = $fo_str, $in_co = $fo_lib, $out_su = 'new_'.$fo_str, $out_co = 'new_'.$in_co;
-
-    # define local variables
-    local *OUT_CO, $no_repeat = ' ', $nr_mol = 0, @c_point = '', @FONC = '', @IFONC = '', @NBATOM = '', @NBBOND = '', @ATOM ='', @XPOINT='', @LIGEND = '';
-
-    # read all fragments
-    &read_all_frag($in_co, 'sort_redundant');
-    
-    # read mol and molping from summary.out
-    &read_str($in_su);
-
-    # for debug
-    if($debug){
-        
-        print "mol and molping\n";
-        foreach $i(0..@mol){
-            print"\t\t$mol[$i]\t\t$molping[$i]\n";
-        }
-    }
-    
-    open(OUT_CO, ">>$out_co");
-
-    foreach $i(1..@FONC-1){
-
-        $a_w = 0;
-        my $re_j = '';
-         
-        foreach $j($i+1..@FONC){
-
-            if(($NBATOM[$i] ne 0) && ($NBATOM[$i] eq $NBATOM[$j])&&($NBBOND[$i] eq $NBBOND[$j])){
-
-                my $find_same_combine = 0;
-                my $find_same_atom = 0;
-                
-                my @atomi = split('\+\+\+', $ATOM[$i]);
-                my @atomj = split('\+\+\+', $ATOM[$j]);
-                
-                my @fonci = split('\+\+\+', $FONC[$i]);
-                my @foncj = split('\+\+\+', $FONC[$j]);
-                
-                my @ifonci = split('\+\+\+', $IFONC[$i]);
-                my @ifoncj = split('\+\+\+', $IFONC[$j]);
-                
-                foreach my $iatomi(0..@atomi){
-                    
-                    
-                    my @fonc_i_temp = split(' ', $fonci[$iatomi]);
-                    my @fonc_i_tempsort = sort(@fonc_i_temp);
-                    
-                    foreach my $jatomj(0..@atomj){
-                        
-                        $find_same_combine = 0;
-                        
-                        my @fonc_j_temp = split(' ', $foncj[$jatomj]);
-                        my @fonc_j_tempsort = sort(@fonc_j_temp);
-                        
-                        #print "$iatomi\t $jatomj\t$atomi[$iatomi]\t$atomj[$jatomj]\n@fonc_i_tempsort\n@fonc_j_tempsort\n\n";
-                        
-                        if(($atomi[$iatomi] eq $atomj[$jatomj]) && ($atomj[$jatomj] ne '')){
-
-                            foreach my $eachTerm(0..@fonc_i_tempsort-1){
-                                
-                                my @get_i = split('-', $fonc_i_tempsort[$eachTerm]);
-                                my @get_j = split('-', $fonc_j_tempsort[$eachTerm]);
-                                
-                                #print "$get_i[0] == $get_j[0]) && ($get_i[1] eq $get_j[1] 66 $find_same_combine\n";
-                                
-                                if (( $get_i[0] == $get_j[0]) && ($get_i[1] eq $get_j[1])){
-                                    
-                                    $find_same_combine++;
-                                   
-                                }
-                            }
-                        }
-                        
-                       # print "($find_same_combine == @fonc_i_tempsort)\n";
-                        
-                        if (($find_same_combine == @fonc_i_tempsort) && ($find_same_combine ne 0)){
-                            $find_same_atom++;
-                            $find_same_combine = 0;
-                            $atomj[$jatomj] = '';
-                            last;
-                        }
-                    }
-                    
-                    $find_same_combine = 0;
-                }
-                
-                if ($find_same_atom eq $NBATOM[$i]){
-                    
-                    if (!($a_w)){
-                        print OUT_CO $LIGEND[$i];
-                        $nr_fragment++;
-                        $a_w = 1;
-                    }
-
-                    $FONC[$j] = ''; 
-                    $NBATOM[$j] = 0;
-                    @XPOINTTemp = '';
-                    @XPOINT1 = '';
-                    @XPOINT2 = '';
-                    
-                    $no_repeat = $no_repeat.$i.' ' if($no_repeat !~ / $i /);
-
-                    @XPOINTTemp = split('-', $XPOINT[$i]);
-                    
-                    @XPOINT1 = sort{ $a <=> $b }(@XPOINTTemp);
-
-                    @XPOINTTemp = split('-', $XPOINT[$j]);
-                    
-                    @XPOINT2 = sort{ $a <=> $b }(@XPOINTTemp);
-                    
-        
-                    $nXPOINT1 = @XPOINT1;
-                    $nXPOINT2 = @XPOINT2;
-                    
-                    die "\nErr: There is something wrong by fragment $i and $j.\n\n\n" if($nXPOINT1 ne $nXPOINT2);
-
-                    foreach my $iatomi(0..@XPOINT1-1){
-                        
-                        foreach my $jatomj(0..@XPOINT2-1){
-
-                            my @fonc_i_temp = split(' ', $fonci[$XPOINT1[$iatomi]]);
-                            my @fonc_j_temp = split(' ', $foncj[$XPOINT2[$jatomj]]);
-                            
-                            my @ifonc_i_temp = split(' ', $ifonci[$XPOINT1[$iatomi]]);
-                            my @ifonc_j_temp = split(' ', $ifoncj[$XPOINT2[$jatomj]]);
-
-                            my @fonc_i_tempsort = sort(@fonc_i_temp);
-                            my @fonc_j_tempsort = sort(@fonc_j_temp);
-                            
-                            my $count_same = 0;
-                            
-                            foreach my $eachTerm(0..@fonc_i_tempsort-1){
-                                
-#                                 print "$fonc_i_tempsort[$eachTerm] == $fonc_j_tempsort[$eachTerm]==$count_same\n";
-                                
-                                if((($fonc_i_tempsort[$eachTerm] == $fonc_j_tempsort[$eachTerm])) && ($fonc_i_tempsort[$eachTerm] eq $fonc_j_tempsort[$eachTerm])){
-                                    
-#                                     print "$XPOINT1[$iatomi] = $XPOINT2[$jatomj]\n";
-#                                     print "print@ifonc_i_temp and @ifonc_j_temp\n";
-                                    
-                                    
-                                    foreach $iatomi_2(0..@ifonc_i_temp-1){
-                                    
-                                        foreach $jatomj_2(0..@ifonc_j_temp-1){
-                                        
-                                            my @fonc_i_temp_2 = split(' ', $fonci[$ifonc_i_temp[$iatomi_2]]);
-                                            my @fonc_j_temp_2 = split(' ', $foncj[$ifonc_i_temp[$jatomj_2]]);
-                        
-                                            my @fonc_i_tempsort_2 = sort(@fonc_i_temp);
-                                            my @fonc_j_tempsort_2 = sort(@fonc_j_temp);
-                                            
-                                            my $count_same_2 = 0;
-                                            
-                                            foreach my $eachTerm_2(0..@fonc_i_tempsort_2-1){
-                                                if((($fonc_i_tempsort_2[$eachTerm_2] == $fonc_j_tempsort_2[$eachTerm_2])) && ($fonc_i_tempsort_2[$eachTerm_2] eq $fonc_j_tempsort_2[$eachTerm_2])){
-                                                    $count_same_2++;
-                                                }
-                                            }
-                                            
-                                            
-                                            
-                                            if(($count_same_2 != 0) && ($count_same_2 == @fonc_i_tempsort_2) && ($iatomi_2 == @ifonc_i_temp-1) && ($eachTerm == @fonc_i_tempsort-1)){
-                                                $count_same++ ;
-                                            }
-                                            
-                                        }
-                                    }
-                                    
-                                    
-                                }
-                            }
-                            
-#                             print "$count_same and @fonc_j_tempsort\n\n";
-                            
-                            if (($count_same != 0) && ($count_same == @fonc_j_tempsort) && (@fonc_i_temp ne '') && (@fonc_j_temp ne '')){
-
-                                if ($c_point[$i] eq ''){
-                                    
-                                    if(($re_j eq '') || ($re_j ne $j)){
-                                        $re_j = $j;
-                                        $nr_same[$i-1]++;
-                                    }
-                                    
-                                    $c_point[$i]=$j.'*'.$XPOINT2[$jatomj].'-TO-'.$i.'*'.$XPOINT1[$iatomi];
-                                }
-                                else{
-                                    if(($re_j eq '') || ($re_j ne $j)){
-                                        $re_j = $j;
-                                        $nr_same[$i-1]++;
-                                    }
-                                    
-                                    $c_point[$i] = $c_point[$i].' '.$j.'*'.$XPOINT2[$jatomj].'-TO-'.$i.'*'.$XPOINT1[$iatomi];  
-                                }
-                            
-                                $XPOINT1[$iatomi]='';
-                                $XPOINT2[$jatomj]='';
-                            
-                            }
-                        }
-                    }
-                }
-                else{
-                
-                    if (!($a_w)){
-                        print OUT_CO $LIGEND[$i];
-                        $a_w = 1;
-                        $nr_fragment++;
-                    }
-                    
-                    $no_repeat = $no_repeat.$i.' ' if($no_repeat !~ / $i /);
-                }
-                
-            }
-            elsif(($NBATOM[$i] ne 0)){
-                
-                if (!($a_w)){
-                    print OUT_CO $LIGEND[$i];
-                    $a_w = 1;
-                    $nr_fragment++;
-                }
-                
-                $no_repeat = $no_repeat.$i.' ' if($no_repeat !~ / $i /);
-            }
-        }
-#         print "$c_point[$i]\n";
-    }
-    
-    close OUT_CO;
-    
-    
-    foreach $i(1..@nr_same){
-	  &print_screen_log("\t\tfind $nr_same[$i-1] fragment(s) the same as fragment $i\n") if($nr_same[$i-1] ne '');
-    }
-    
-    &print_screen_log("\n\t\tThere are $nr_fragment individual fragments from all $nr_mol framgments\n\n");
-    
-    local @same_frag, @change_p2p, @change_before, @change_after;
-    
-    foreach $i_str(0..@molping-1){
-                    
-        @molping_tmp = split(' ', $molping[$i_str]);
-        
-        @mol_tmp = split("_|-", $mol[$i_str]);
-        @mol_tmp_cp = split("_|-", $mol[$i_str]);
-        
-        foreach $i_mp_each(0..@molping_tmp-1){
-            
-            $oldmolping = $molping_tmp[$i_mp_each];
-            
-            foreach $ic_point(0..@c_point){
-                
-                if($c_point[$ic_point] ne ''){
-                    
-                    @same_frag = split(' ', $c_point[$ic_point]);
-                    
-                    foreach $i_same(0..@same_frag-1){
-
-                        if($same_frag[$i_same] =~ /^$oldmolping\*/){
-                        
-                            @change_p2p = split('-TO-', $same_frag[$i_same]);
-                            @change_before = split('\*', $change_p2p[0]);
-                            @change_after = split('\*', $change_p2p[1]);
-
-                            if($oldmolping eq $change_before[0]){
-                                
-                                $mol_ch_before = ($i_mp_each+1).'\*'.$change_before[1];
-                                $mol_ch_after = ($i_mp_each+1).'*'.$change_after[1];
-                                
-                                if($mol[$i_str] =~ /$mol_ch_before/){
-
-                                    foreach $k (0..@mol_tmp_cp-1){
-                                        
-                                        if($mol_tmp_cp[$k] =~ /$mol_ch_before/){
-
-                                            $mol_tmp[$k] =~ s/$mol_ch_before/$mol_ch_after/g;
-                                            $mol_tmp_cp[$k] = '';
-                                            $newmolping = $change_after[0];
-                                            $molping_tmp[$i_mp_each] = $change_after[0];
-                                        }
-                                    }
-                                }
-                            }
-                        }
-                    }
-                }
-            }
-        }
-        
-        $molping[$i_str] = join(' ', @molping_tmp);
-
-        if (($mol_tmp[0] ne '') && ($mol_tmp[1] ne '')){
-            $mol[$i_str] = $mol_tmp[0].'-'.$mol_tmp[1];
-        }
-        elsif(($mol_tmp[0] ne '') && ($mol_tmp[1] eq '')){
-            $mol[$i_str] = $mol_tmp[0];
-        }
-        elsif(($mol_tmp[0] eq '') && ($mol_tmp[1] ne '')){
-            $mol[$i_str] = $mol_tmp[1];
-        }
-
-        for(my $i = 2; $i < @mol_tmp; $i += 2){
-        
-            $mol[$i_str] = $mol[$i_str].'_'.$mol_tmp[$i].'-'.$mol_tmp[$i+1];
-          
-        }
-    }
-    
-    &renew_mp;
-    
-    &write_split_result($out_su, 'sort_redundant');
-
-}
-
-sub renew_mp{
-
-# ----------
-#
-# renew molping
-#
-# ----------
-    
-    &print_debug('rewrite_lib');
-    
-    my $i_frag = 0, $i, @new_frag = '', @split_mp = '';
-    
-    @new_frag = split(' ', $no_repeat);
-    
-    foreach $i_mp(0..@molping-1){
-        
-        @split_mp = split(' ', $molping[$i_mp]);
-        
-        foreach $i_split_mp(0..@split_mp-1){
-            
-            foreach $i(0..@new_frag-1){
-                
-                if($split_mp[$i_split_mp] == $new_frag[$i]){
-                    
-                    $split_mp[$i_split_mp] = $i+1;
-                    
-                }
-            }
-        
-        }
-        
-        $molping[$i_mp] = join(' ', @split_mp);
-    }
-    
-    $i_frag = @new_frag;
-}
diff --git a/workspace/Initialisation/Code/SPLIT.pl b/workspace/Initialisation/Code/SPLIT.pl
deleted file mode 100644
index d216bbc..0000000
--- a/workspace/Initialisation/Code/SPLIT.pl
+++ /dev/null
@@ -1,1315 +0,0 @@
-#!/usr/bin/perl
-
-print "SPLIT OK\n";
-
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-#       
-#               all subs about split things
-#               
-#       
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-
-
-#=============================================================================#
-#
-#                         control split loop
-#
-#=============================================================================#
-sub control_cut{
-
-# ----------
-#
-#    differentiate between single- and multi-anchor-groups 
-#    if multi-anchor-groups: go to the split-loop (a big deal)
-#
-# ----------
-
-    ($which_read_this_sub, local $ifrag_change) = @_; 
-    
-    &print_debug("controlCut", $which_read_this_sub, $ifrag_change);
-    
-    local $ifrag_change_anchor = '-';
-    
-    # to control the split of multi-anchor-molecule, every time only one group
-    local $goto_next = 1; 
-
-    # copy the structure information of each molecule
-    @ligneTemp = '';
-    @ligneTemp = @ligne;
-    
-#     print "@ligneTemp";
-    
-
-    if(($which_read_this_sub eq 'is_temp_frag') || ($which_read_this_sub eq 'is_origin')){ 
-    
-        if ($ngroup_multi == 0){
-            
-            # after split the molecule because of multi-anchor-groups, copy all fragments in one file diss_all.sdf -> to split one anchor groups. This sub is found in WRITE.pl
-            # or there is no multi-anchor-groups, only single-anchor-groups
-           
-            &copy_all_in_one($ft_copy_all);
-            
-        }
-        else{
-            #---------- if there are more than one multi-anchor-fragment ----------
-            
-            # define variable
-            my $ft_lib_1 = $ft_lib_t;
-            local  $mol_sub_tmp = '', $mp_sub_tmp = '';
-        
-            #---------- 
-            
-            # mol and molping (anchor) musst be always changed, if a new decomposition is happened.
-            # to record which molping need to be splited. 
-            
-            if($which_read_this_sub eq 'is_temp_frag'){
-
-                die "\nErr: $mol and $molping of fragment $i_frag is leer.\n\n\n" if (($mol_main_tmp eq '') || ($mp_main_tmp eq ''));
-                
-                $mol_sub_tmp = $mol_main_tmp;
-                $mp_sub_tmp = $mp_main_tmp;
-                $mol_main_tmp = '';
-                $mp_main_tmp = '';
-               
-                my @split_mp = split(' ', $mp_sub_tmp); 
-                
-#                print "split_mp is:@split_mp\n$ifrag_change++$nr_add_frag\n";
-                
-                $ifrag_change = $split_mp[$nr_add_frag];
-
-                my @frag1 = split(' ', $mol_sub_tmp);
-                
-                foreach my $ifrag1(0..@frag1-1){
-                    
-                    my @frag2= split('-',$frag1[$ifrag1]);
-                    
-                    foreach my $ifrag2(0..@frag2-1){
-                        
-                        if ($frag2[$ifrag2] =~ /$ifrag_change\*/){
-                            
-                            my @temp = split('\*',$frag2[$ifrag2]);
-                            $ifrag_change_anchor = $ifrag_change_anchor.$temp[1].'-';
-                        }
-                    }
-                }
-            }
-
-            
-            # to split the groups and write the intermediate data in the file outputTemp_1.sdf
-            #---------- 
-            
-            open(TEMPDOC, ">$ft_lib_1");
-        
-                &fonction_multi;
-         
-            close TEMPDOC;
-        
-
-            local $mol_start = $i_mol, $mol_end = $i_mol;
-        
-            &split_reactant($ft_lib_1, 'section', $ifrag_change_anchor);
-            
-            if($which_read_this_sub eq 'is_temp_frag'){
-            
-                &change_mol_mp;   
-            }
-
-#             print "\ntest1:$mol_main_tmp==$mp_main_tmp\n";
-#             print "test2:$mol_sub_tmp, $mp_sub_tmp\n";
-         
-            $dis_file_new = 'dissociated_'.$new_dissociated.'.sdf'; #$disFilenameNew
-            
-#             print "file: $dis_file_new\n";
-            
-            copy($ft_diss, $dis_file_new);
-            
-            $new_dissociated++;  
-            
-            my $OPENTMP;
-
-            open ($OPENTMP, "<$dis_file_new");
-        
-                &read_temp_frag(*$OPENTMP);
-           
-            close $OPENTMP;
-
-            unlink $ft_lib_1;
-
-        }
-    }
-    elsif(($which_read_this_sub eq 'is_one_anchor')){
-        
-        if(($ngroup_single == 0)){
-            
-            &copy_all_in_one($ft_single);
-        }
-        else{
-            
-            my $ft_lib_1 = $ft_lib_t;
-
-            $mol_sub_tmp = '';
-            $mp_sub_tmp = '';
-
-            $mol_sub_tmp = $mol_main_tmp;
-            $mp_sub_tmp = $mp_main_tmp;
-            $mol_main_tmp = '';
-            $mp_main_tmp = '';
-
-            my @split_mp = split(' ', $mp_sub_tmp);
-            
-            $ifrag_change = $split_mp[$ifrag_change-1];
-
-            my @frag1 = split(' ', $mol_sub_tmp);
-                
-            foreach my $ifrag1(0..@frag1-1){
-                
-                my @frag2= split('-',$frag1[$ifrag1]);
-                
-                foreach my $ifrag2(0..@frag2-1){
-                    
-                    if ($frag2[$ifrag2] =~ /$ifrag_change\*/){
-                        my @temp = split('\*',$frag2[$ifrag2]);
-                        $ifrag_change_anchor = $ifrag_change_anchor.$temp[1].'-';
-                    }
-                }
-            }
-    
-            open(TEMPDOC, ">$ft_lib_1");
-        
-                &fonction_single;
-        
-            close TEMPDOC;
-                
-            $mol_start = $i_mol;
-            $mol_end = $i_mol;
-            
-         #   print "ifrag_change_anchor is $ifrag_change_anchor\n";
-            
-            $becauseofVII = 1 if($ngroupVII > 0);
-            
-            &split_reactant($ft_lib_1, 'section', $ifrag_change_anchor);
-            
-            unlink $ft_lib_1;
-            
-          #  print "test:$mol_main_tmp==$mp_main_tmp\n";
-          #  print "123:$mol_sub_tmp, $mp_sub_tmp\n";
-            
-            if (($mol_sub_tmp ne '') && ($mp_sub_tmp ne '')){
-                
-                &change_mol_mp;
-            }
-
-         #   print "in main: $mol_main_tmp==$mp_main_tmp\n";
-            
-            local (*COLL, *READ);
-            
-          
-            open (COLL, ">>$ft_single");
-            open (READ, "<$ft_diss");
-            
-            while(<READ>){
-                print COLL $_;
-            }
-            
-            close COLL;
-            close READ;
-            
-            unlink $ft_diss;
-
-        }
-    }
-
-}
-
-sub fonction_multi{
-
-# ----------
-# 
-# give the important information to split the muti-anchor-groups. Attention: the rank hier is important
-# 
-# ----------
-    
-    &print_debug('fonction_multi');
-    
-    @ligneplus = '';
-    
-    local $lp = 0, $tempXatom = '', $finbond = 5 + $nbatom + $nbbond;
-    
-    my $record_a, $record_g; 
-    
-     foreach my $key(sort keys %funcGroup){
-        
-        @anchor = '';
-        
-        $key = 'cycle' if ($nrGroup{'cycle'} >0);
-        
-        if(($funcGroup{$key}) && ($nrGroup{$key} > 0) && ($typeGroup{$key} eq 'more')  && ($goto_next)){
-            
-          #  print "\t\tSplitting $key...\n";#if($tool_para{DEBUG} == 1);
-            
-            $record_a = '';
-            $record_g = '';
-            
-            @groupAnchor_1 = split('\#', $groupAnchor{$key});
-            @groupAnchorG_1 = split('\#', $groupAnchorG{$key});
-            
-            foreach $i(0..0){
-                
-                if($groupAnchor_1[$i] =~/\+/){
-                    
-                    @tempgroupAnchor = split('\+', $groupAnchor_1[$i]);
-                    @tempgroupAnchorG= split('\+', $groupAnchorG_1[$i]);
-                    
-                    foreach $itemp(0..@tempgroupAnchor-1){
-                    
-                        @getanchor = split('-', $tempgroupAnchor[$itemp]);
-                        $record_a = $record_a.'-'.$getanchor[0];
-                        $tempXatom = $getanchor[0];
-
-                        &updateLigne;
-                        &write_ligne;
-                        
-                        if ($mp_main_tmp eq ''){
-                            $mp_main_tmp = $i_lego;
-                        }
-                        else{
-                            $mp_main_tmp =$mp_main_tmp.' '.$i_lego;
-                        }
-                    }
-                
-                    @ligneplus = '';
-                    $lp = 0;
-                    
-                    foreach $itemp(0..@tempgroupAnchor-1){
-                
-                        @getanchor = split('-', $tempgroupAnchorG[$itemp]); 
-                        $record_g = $record_g.'-'.$getanchor[0];
-                        $tempXatom = $getanchor[0];
-                        
-                        &updateLigne;
-                    }
-                
-                    &write_ligne;
-                    $mp_main_tmp = $mp_main_tmp.' '.$i_lego;
-                }
-                else{
-                    
-                    my $recordtempXatom = '', $checkcombine = '#';
-                
-                    for $j(0..0){
-                        
-                        @getanchor = split('-', $groupAnchor_1[0]);
-                        $tempXatom = $getanchor[0];
-                    
-                        if($checkcombine !~ /#$groupAnchor_1[0]#/){
-                            if ($j == 0){
-                                $recordtempXatom = $getanchor[0];
-                                $record_a = $record_a.'-'.$getanchor[0];
-                            }
-                            else{
-                                $record_a = $record_a.'-'.$recordtempXatom;
-                            }
-                            &updateLigne;
-                            $checkcombine = $checkcombine.$groupAnchorG_1[0].'#';
-                        }           
-                    }
-                    
-                    if ($mp_main_tmp eq ''){
-                        $mp_main_tmp = ($i_lego+1);
-                    }
-                    else{
-                        $mp_main_tmp = $mp_main_tmp.' '.($i_lego+1);
-                    }
-                    
-                    &write_ligne;
-                
-                    $lp = 0;
-                    @ligneplus = "";
-                
-                    foreach $j(0..0){
-                
-                        @getanchor = split('-', $groupAnchorG_1[$j]);
-                        
-                        $tempXatom = $getanchor[0];
-                        $record_g = $record_g.'-'.$tempXatom;
-                        
-                        if($checkcombine !~ /#$groupAnchor_1[0]#/){
-                            $checkcombine = $checkcombine.$groupAnchorG_1[$j].'#';
-                            
-                            &updateLigne;
-                            &write_ligne;
-                            
-                            $mp_main_tmp = $mp_main_tmp.' '.$i_lego;
-                        }
-                    }
-                }
-                
-                @record_a1 = '';
-                @record_g1 = '';
-                @record_mp = '';
-        
-                @record_a1 = split('-', $record_a);
-                @record_g1 = split('-', $record_g);
-                @record_mp = split(' ', $mp_main_tmp);
-            
-                if($groupAnchor_1[$i]=~ /\+/){
-                
-                    my $j = @record_a1-1;
-                  
-                    foreach $ii(1..@record_a1-1){
-                    
-                        if($mol_main_tmp eq ''){
-                            $mol_main_tmp = $record_mp[$ii-1].'*'.$record_g1[$ii].'-'.$record_mp[@record_mp-1].'*'.$record_a1[$ii];
-                        }
-                        else{
-                            $mol_main_tmp = $mol_main_tmp.' '.$record_mp[$ii-1].'*'.$record_g1[$ii].'-'.$record_mp[@record_mp-1].'*'.$record_a1[$ii];
-                        }
-                        $j--;
-                    }
-                }
-                else{
-                
-                    my $j = 1;
-            
-                    foreach $ii(1..@record_a1-1){
-                    
-                        if($mol_main_tmp eq ''){
-                            $mol_main_tmp = $record_mp[0].'*'.$record_g1[$ii].'-'.$record_mp[$j].'*'.$record_a1[$ii];
-                        }
-                        else{
-                        
-                            $mol_main_tmp = $mol_main_tmp.' '.$record_mp[0].'*'.$record_g1[$ii].'-'.$record_mp[$j].'*'.$record_a1[$ii];
-                        }
-                        $j++;
-                    }
-                last;
-                }
-            }
-        
-            $goto_next = 0;
-            $funcGroup{$key} = 0;
-            }
-        }
-}
-
-sub fonction_single{
-# 
-# give the important information to split the single-anchor-groups. Attention: the rank hier is not important
-# 
-    &print_debug('fonction_single');
-    
-    @ligneplus='';
-    local $lp=0;
-    local $tempXatom = '', @anchor = '', @anchorG = '', @keyrange = '';
-    
-    $finbond=5+$nbatom+$nbbond;
-
-    $record_a = '';
-    $record_g = '';
-
-    foreach my $key(sort keys %funcGroup){
-        
-        @anchor = '';
-       
-        if(($funcGroup{$key}) && ($nrGroup{$key} > 0) && ($typeGroup{$key} eq 'one')){
-
-            print "\t\tSplitting $key...\n" if($tool_para{DEBUG} == 1);
-            
-            @anchor = split('#', $groupAnchor{$key});
-            
-            
-            die "Err: the number of group $key and the remembered anchor mismatch!!!" if(@anchor != $nrGroup{$key});
-            
-            for $i(0..$nrGroup{$key} -1){
-            
-                @getanchor = split('-', $anchor[$i]);
-                $tempXatom = $getanchor[0];
-
-                $record_a = $record_a.'-'.$tempXatom;
-                &updateLigne;
-            } 
-            
-            
-            
-        }
-    }
-    
-     &write_ligne;
-
-    if ($mp_main_tmp eq ''){
-        $mp_main_tmp = $i_lego;
-    }
-    else{
-        $mp_main_tmp = $mp_main_tmp.' '.$i_lego;
-    }
-
-    @ligneplus='';
-    local $lp=0;
-    
-    foreach my $key(sort keys %funcGroup){
-        
-        @anchorG = '';
-        
-        if(($funcGroup{$key}) && ($nrGroup{$key} > 0) && ($typeGroup{$key} eq 'one')){
-            
-            @anchorG = split('#', $groupAnchorG{$key});
-            
-            die "Err: the number of group $key and the remembered anchor mismatch!!!" if(@anchorG != $nrGroup{$key});
-            
-            for $i(0..$nrGroup{$key}-1){
-                
-                @getanchor = split('-', $anchorG[$i]);
-            
-                $record_g = $record_g.'-'.$getanchor[0];
-
-                $tempXatom = $getanchor[0];
-
-                &updateLigne;
-                &write_ligne;
-                $i_addfrag++; 
-            
-                $mp_main_tmp = $mp_main_tmp.' '.$i_lego;
-                    
-            }
-        }
-    }
-  
-    @record_a1 = '';
-    @record_g1 = '';
-    @record_mp = '';
-            
-                
-    @record_a1 = split('-', $record_a);
-    @record_g1 = split('-', $record_g);
-    @record_mp = split(' ', $mp_main_tmp);
-    
-    my $j = 1;
-
-    foreach $i(1..@record_a1-1){
-                    
-        if($mol_main_tmp eq ''){
-            $mol_main_tmp = $record_mp[0].'*'.$record_g1[$i].'-'.$record_mp[$j].'*'.$record_a1[$i];
-        }
-        else{
-            $mol_main_tmp = $mol_main_tmp.' '.$record_mp[0].'*'.$record_g1[$i].'-'.$record_mp[$j].'*'.$record_a1[$i];
-        }
-        $j++;
-    }
-    
-}
-
-sub updateLigne{
-    
-# ----------
-#
-#    find the relative atom combination, break the combination with atom X and Y
-#
-# ----------
-    
-    &print_debug('updateLigne');
-    
-    my $iatom, $ei, $ianchor, $atomx = 'X', $newatom, @getstr = '', @get1 = '';
-    
-    $getstr[4] ="0";
-    $getstr[5] ="0";
-    $getstr[6] ="0";
-    $getstr[7] ="0";
-    $getstr[8] ="0";
-    $getstr[9]= "0";
-    $getstr[10]="0";
-    $getstr[11]="0";
-    $getstr[12]="0";
-    $getstr[13]="0";
-    $getstr[14]="0";
-    $getstr[15]="0";
-
-    $saveXatom = $saveXatom.'-'.$getanchor[0]; # global variable
-
-    for $iatom(1..$nbatom){
-       
-
-       
-        if($iatom == $getanchor[0]){
-                
-            @getstr=split(' ', $ligne[4+$iatom]);
-            
-            $newatom=sprintf"%10s%10s%10s%1s%1s  %2s%3s%3s%3s%3s%3s%3s%3s%3s%3s%3s%3s%3s\n",$corx[$iatom],$cory[$iatom],$corz[$iatom],$blanc,$atomx,$getstr[4],$getstr[5],$getstr[6],$getstr[7],$getstr[8],$getstr[9],$getstr[10],$getstr[11],$getstr[12],$getstr[13],$getstr[14],$getstr[15];
-            
-            $ligne[$iatom+4]=$newatom;
-
-              
-            foreach $ei (5+$nbatom..$finbond){
-                
-                @get=split(' ',$ligne[$ei]);
-
-                
-                if($get[0]==$iatom || $get[1]==$iatom){
-                
-                    
-                    foreach $ianchor(1..@getanchor-1){
-                        
-                        
-                        if(($get[0]==$getanchor[$ianchor] )|| ($get[1]==$getanchor[$ianchor])){
-                            
-                            
-                        #    print "$get[0] == $get[1]==$iatom==$getanchor[$ianchor]==$ei==$finbond==$lp\n";
-                        
-                            
-                            $atomH="Y";
-                            $ligneplus[$lp]=sprintf"%10s%10s%10s%1s%1s  %2s%3s%3s%3s%3s%3s%3s%3s%3s%3s%3s%3s%3s\n",$corx[$iatom],$cory[$iatom],$corz[$iatom],$blanc,$atomH,$getstr[4],$getstr[5],$getstr[6],$getstr[7],$getstr[8],$getstr[9],$getstr[10],$getstr[11],$getstr[12],$getstr[13],$getstr[14],$getstr[15];
-                            
-                            @get1=split(' ',$ligne[4]);
-                            $get1[0]++;
-                            $ligne[4]=sprintf"%3s%3s  0  0  0  0  0  0  0  0999 V2000\n",$nbatom+1+$lp,$get1[1];
-                            $newAtomY = 0;
-
-                            if($get[0]==$iatom){
-                                $ligne[$ei]=sprintf"%3s%3s%3s  0  0  0  0\n",$nbatom+1+$lp,$get[1],$get[2];
-                            }
-                            else{
-                                $ligne[$ei]=sprintf"%3s%3s%3s  0  0  0  0\n",$nbatom+1+$lp,$get[0],$get[2];
-                            };
-                        
-                          #  print "$ligne[$ei]\n";
-                            $lp++;
-                        } 
-                    }
-                }
-            }
-        }
-    }
-   
-}
-
-#=============================================================================#
-#
-#                         control split loop
-#
-#=============================================================================#
-
-sub split_reactant{
-
-# ----------
-#
-#   delete the useless atoms, like Y and the atoms, which combine with atom Y
-#
-# ----------
-
-
-    ($file, $who_call_me, $ifrag_change_anchor) = @_; 
-    
-    &print_debug('split_reactant', $file, $who_call_me, $ifrag_change_anchor);
-
-    local *INSP;
-  
-    if(($file eq '' )||(!(-f $file))){
-        print "usage: \n nosel <file.sdf>\n";
-        exit;
-    };
-
-	unlink $ft_diss;
-
-	local $new_frag=1;
-	$flagNum = 0;
-
-    @frag_change_before = split('-', $ifrag_change_anchor); 
-    
-    @frag_change_after = '';
-
-   # print "frag_change is +++111@frag_change_before+++@frag_change_after\n";
-    
-	open(INSP,"<$file");
-	
-	while(<INSP>){
-		
-		if($new_frag){
-			
-            $masse=0;
-			$i_moli++;
-			$compt=0;
-			$ig=1;
-			$jg=0;
-			@strx='';
-			@stry='';
-			@strz='';
-			@atom='';
-			@coval='';
-			@fonc='';
-			@ifonc='';
-			@covfonc='';
-			@bond='';
-			@listb='';
-			@typeb='';
-			$blanc=' ';	
-			@radius='';
-			@lignebond='';		
-			$atomlourd=0;
-			$new_frag=0;
-			$keepX="";
-            $readtempXatom = 0;
-			@sdf='';
-			$flagNum++;
-		};
-		
-		@getstr = split(' ',$_);
-	
-		$sdf[$compt]=$_;
-		$compt++;
-        
-        
-        # let defined atom retain
-        if ($readtempXatom){
-            @keepXatom = split(" ", $_);
-
-            $keepX = $keepXatom[0];
-            $readtempXatom = 0;
-        }
-        
-		if (($compt > 4) && ($ig <= $istratom)){
-			$strx[$ig]=$getstr[0];
-			$stry[$ig]=$getstr[1];
-			$strz[$ig]=$getstr[2];
-			$atom[$ig]=$getstr[3];
-
-			$atomlourd ++ if($getstr[3] ne 'H' && $getstr[3] ne 'X');
-			$radius[$ig]=$tabR{$getstr[3]};
-			$masse=$masse+$tabmm{$getstr[3]};
-			$ig++;
-		};
-		if (($compt > 4) && ($ig > $istratom) && ($jg <=$istrbond)){
-			if ($jg == 0){
-				$jg++;
-			}
-			else{
-
-                @coller=split(' *',$getstr[0]);
-                @coller2=split(' *',$getstr[1]);
-                if(@coller==6 && $getstr[1] ne ""){
-                    $getstr[0]=$coller[0].$coller[1].$coller[2];
-                    $getstr[2]=$getstr[1];
-                    $getstr[1]=$coller[3].$coller[4].$coller[5];
-                }
-                elsif(@coller==6 && $getstr[1] eq ""){
-                    $getstr[0]=$coller[0].$coller[1];
-                    $getstr[1]=$coller[2].$coller[3].$coller[4];
-                    $getstr[2]=$coller[5];
-                }
-                elsif(@coller==5){
-                    if($_=~/^\s/){
-                        $getstr[0]=$coller[0].$coller[1];
-                        $getstr[2]=$getstr[1];
-                        $getstr[1]=$coller[2].$coller[3].$coller[4];
-                    }
-                    else{
-                        $getstr[0]=$coller[0].$coller[1].$coller[2];
-                        $getstr[2]=$getstr[1];
-                        $getstr[1]=$coller[3].$coller[4];
-                    };
-                }
-                elsif(@coller==4){
-                    if($_=~/^\s/){
-                        $getstr[0]=$coller[0];
-                        $getstr[2]=$getstr[1];
-                        $getstr[1]=$coller[1].$coller[2].$coller[3];
-                    }
-                    else{
-                        $getstr[0]=$coller[0].$coller[1].$coller[2];
-                        $getstr[2]=$getstr[1];
-                        $getstr[1]=$coller[3];
-                    };					
-                }
-                elsif(@coller2==4){
-                    $getstr[1]=$coller2[0].$coller2[1].$coller2[2];
-                    $getstr[2]=$coller2[3];
-                }
-                elsif(@coller==7){
-                    $getstr[0]=$coller[0].$coller[1].$coller[2];
-                    $getstr[1]=$coller[3].$coller[4].$coller[5];
-                    $getstr[2]=$coller[6];
-                };
-
-                die "\nErr: There is something wrong in the file $file. Please check if the sdf format is right. @getstr\n\n\n" 
-                if ((!(looks_like_number($getstr[0]))) || (!(looks_like_number($getstr[1]))) || (!(looks_like_number($getstr[2]))) );
-                
-				$bond[$getstr[0]]=$bond[$getstr[0]].$blanc.$getstr[1].$blanc.$getstr[2];
-				$listb[$getstr[0]]=$listb[$getstr[0]].$blanc.$getstr[1];
-				$typeb[$getstr[0]]=$typeb[$getstr[0]].$blanc.$getstr[2];
-
-				$bond[$getstr[1]]=$bond[$getstr[1]].$blanc.$getstr[0].$blanc.$getstr[2];
-				$listb[$getstr[1]]=$listb[$getstr[1]].$blanc.$getstr[0];
-				$typeb[$getstr[1]]=$typeb[$getstr[1]].$blanc.$getstr[2];
-
-
-				$fonc[$getstr[0]]=$fonc[$getstr[0]].$blanc.$getstr[2].'-'.$atom[$getstr[1]].$blanc;
-				$ifonc[$getstr[0]]=$ifonc[$getstr[0]].$blanc.$getstr[1].$blanc;
-				$covfonc[$getstr[0]]=$covfonc[$getstr[0]].$blanc.$getstr[2];
-				$coval[$getstr[0]]=$coval[$getstr[0]]+$getstr[2];
-
-				$fonc[$getstr[1]]=$fonc[$getstr[1]].$blanc.$getstr[2].'-'.$atom[$getstr[0]].$blanc;
-				$ifonc[$getstr[1]]=$ifonc[$getstr[1]].$blanc.$getstr[0].$blanc;
-				$covfonc[$getstr[1]]=$covfonc[$getstr[1]].$blanc.$getstr[2];
-				$coval[$getstr[1]]=$coval[$getstr[1]]+$getstr[2];
-				$lignebond[$jg]=$_;
-				$jg++;
-			};
-		};
-		
-
-		if ($compt == 4){
-			$istratom=$getstr[0];
-			$istrbond=$getstr[1];
-			
-			@coller=split(' *',$istratom);
-			
-			if(@coller>3 && @coller==6){
-				$istratom=$coller[0].$coller[1].$coller[2];
-				$istrbond=$coller[3].$coller[4].$coller[5];
-			}
-			elsif(@coller>3 && @coller==5){
-				if($_=~/^\s/){
-					$istratom=$coller[0].$coller[1];
-					$istrbond=$coller[2].$coller[3].$coller[4];
-				}
-				else{
-					$istratom=$coller[0].$coller[1].$coller[2];
-					$istrbond=$coller[3].$coller[4];
-				};
-			};
-
-			die "\nErr: There is something wrong in your inputfile. Please check if the sdf format is right.\n\n\n" if ((!(looks_like_number($istratom))) || (!(looks_like_number($istrbond))));
-		};
-		
-		if ($_=~/<tempXatom>/){
-            $readtempXatom = 1;
-        }
-	
-		if ($_=~/\$\$\$\$/){
-			$new_frag=1;
-
-			if($istratom > 0){
-             
-                &molping_find if ($who_call_me ne 'check_last');
-
-                &convert;
-
-                if ($who_call_me ne 'check_last'){
-                    
-                    &molping_change;
-
-                    $mol_main_tmp = ' '.$mol_main_tmp.' ';
-                    
-                    @moltemp = split(' ',$mol_main_tmp);
-                    
-                    $mol_main_tmp = join(' ', @moltemp);
-
-                    if($one){
-
-                        open(OUT,">>$ft_diss");
-                        
-                        foreach $p (0..@sdf-1){
-                            print OUT "$sdf[$p]";
-                        };
-                        close(OUT);
-                    }
-                    else{
-                    };
-                };
-			};
-			
-			
-		};
-	
-	
-	};
-	
-	close(INSP);
-
-  #  print "+++222frag_change is +++@frag_change_before+++@frag_change_after\n";
-}
-
-sub convert{
-
-# ----------
-#
-#    copied from LEA3D
-#
-# ----------
-
-	&print_debug('convert');
-	
-	$one=0;
-	$many=0;
-	$suite=" 1 ";
-	$continue=1;
-	$bi=1;
-	$pos=0;
-	$findAnchoral = 0; 
-
-	while($continue){
-
-        @get=split(' ',$ifonc[$bi]);
-                
-        
-        foreach $k (0..@get-1){	
-            $suite=$suite."$get[$k] " if ($suite!~/ $get[$k] /); 	
-        };
-        
-        @get2=split(' ',$suite);
-                
-        $pos++;
-
-                
-        if($pos == @get2){
-            $continue=0;
-        }
-        else{
-            $bi=$get2[$pos];
-        };
-
-	};
-
-    @get2=split(' ',$suite);
-    $nbacc= @get2;
-    $acc=$suite;
-    
-#     print "hooooo: @get2==$istratom\n\n"; 
-    
-    if(@get2 == $istratom){ # Yifan changed
-        
-        $one=1;
-        
-        #### needed to be check Yifan
-      #  if(($ngroupVII)){
-            
-        foreach $iterm(0..@frag_change_before){
-            
-            $frag_change_after[$iterm] = $flagNum.'*'.$frag_change_before[$iterm];
-            $frag_change_before[$iterm] = '';
-        }
-      #  }
-        
-    }
-    else{ 
-        	#SPLIT LES FICHIERS
-        @geto=split(' ',$suite);
-		$atl=0;
-		
-		#print "suite is: $suite\n";
-		
-		foreach $m (0..@geto-1){
-			$atl++ if($atom[$geto[$m]] ne 'H' && $atom[$geto[$m]] ne 'X');
-		};       	
-       
-		&print($suite, $ifrag_change_anchor) if($suite=~/ $keepX /);
-
-		$many++ if($suite=~/ $keepX /);
-
-		$continue=1;
-		
-		while($continue){
-            
-            $suite=" ";
-            $bi='';
-		    
-            foreach $k (1..$istratom){	
-                $bi=$k if($acc!~/ $k /);
-            };
-            
-            $suite=$suite."$bi ";
-           
-            $cont=1;
-            $pos=0;
-
-            while($cont){
-                @get=split(' ',$ifonc[$bi]);
-
-                foreach $k (0..@get-1){	
-                
-                        $suite=$suite."$get[$k] " if ($suite!~/ $get[$k] /); 	
-                };
-                
-                @get2=split(' ',$suite);
-                $pos++;
-
-                if($pos == @get2){
-                
-                    $cont=0;
-                }
-                else{
-                    $bi=$get2[$pos];
-                };	
-                
-              
-            };
-
-			$acc=$acc.' '.$suite;
-			@getd=split(' ',$acc);
-		  	$continue=0 if(@getd >= $istratom);
-		  	$continue=0 if($bi eq '');
-		  	
-		  	
-		  	
-		  	@geto=split(' ',$suite);
-		  	$atl=0;
-		  	foreach $m (0..@geto-1){
-		  		$atl++ if($atom[$geto[$m]] ne 'H' && $atom[$geto[$m]] ne 'X');
-		  	};
-			#&print($suite) if($atl > 4);
-			&print($suite, $ifrag_change_anchor) if($suite=~/ $keepX /);
-			$many++ if($suite=~/ $keepX /);
-        };
-    }; 
-    $one;
-};
-
-sub print{
-
-#
-# copied from LEA3D
-#
-    &print_debug('print');
-    
-    (local $atomes)=@_;
-
-    $atomes=' '.$atomes.' ';
-    
-	@getp=split(' ',$atomes);
-
- 	#print "natom: $n_atom++@getp\n";
-	
-# 	foreach $iatom(0.. @getp-1){
-#         
-#         if ($getp[$iatom] > $n_atom){
-#           
-# #             $is_last = 1;
-# 
-# #         print "is_last is111: $is_last\n";
-#         }
-# 	}
-#     
-    if ($who_call_me ne 'check_last'){
-        
-        $longa = @getp;
-        
-        $longb=0;
-        $gh=1;
-        @ligneb='';
-        $iFragAnchor = 1;
-    
-    #$findAnchorNu = 0;
-    # 	print("yuavor @findAnchor\n");
-        
-        my @findAnchorTemp = @findAnchor;
-        
-        foreach $f (($istratom+5-1)..@sdf-1){ # 5-1 to begin index 0 see $compt++
-            #print "$f $sdf[$f]\n";
-            
-                @getb=split(' ',$sdf[$f]);
-
-                @coller=split(' *',$getb[0]);
-                @coller2=split(' *',$getb[1]);
-                
-                if(@coller==6 && $getb[1] ne ""){
-                        $getb[0]=$coller[0].$coller[1].$coller[2];
-                        $getb[2]=$getb[1];
-                        $getb[1]=$coller[3].$coller[4].$coller[5];
-                }
-                elsif(@coller==6 && $getb[1] eq ""){
-                        $getb[0]=$coller[0].$coller[1];
-                        $getb[1]=$coller[2].$coller[3].$coller[4];
-                        $getb[2]=$coller[5];
-                }
-                elsif(@coller==5){
-                        if($sdf[$f]=~/^\s/){
-                                $getb[0]=$coller[0].$coller[1];
-                                $getb[2]=$getb[1];
-                                $getb[1]=$coller[2].$coller[3].$coller[4];
-                        }
-                        else{
-                                $getb[0]=$coller[0].$coller[1].$coller[2];
-                                $getb[2]=$getb[1];
-                                $getb[1]=$coller[3].$coller[4];
-                        };
-                }
-                elsif(@coller==4){
-                        if($sdf[$f]=~/^\s/){
-                                $getb[0]=$coller[0];
-                                $getb[2]=$getb[1];
-                                $getb[1]=$coller[1].$coller[2].$coller[3];
-                        }
-                        else{
-                                $getb[0]=$coller[0].$coller[1].$coller[2];
-                                $getb[2]=$getb[1];
-                                $getb[1]=$coller[3];
-                        };					
-                }
-                elsif(@coller2==4){
-                        $getb[1]=$coller2[0].$coller2[1].$coller2[2];
-                        $getb[2]=$coller2[3];
-                }
-                elsif(@coller==7){
-                        $getb[0]=$coller[0].$coller[1].$coller[2];
-                        $getb[1]=$coller[3].$coller[4].$coller[5];
-                        $getb[2]=$coller[6];
-                };
-
-            
-                $gh=0 if($sdf[$f]=~/^>/ || $getb[0] eq '' || $sdf[$f]=~/^M/ || $sdf[$f]=~/^\$\$\$\$/);
-    
-
-                if($gh){
-
-                    if($atomes=~/ $getb[0] /){
-                      
-                        $a1='';
-                        $a2='';
-
-                        foreach $p (0..@getp-1){ # INFO @getp=split(' ',$atomes);
-
-                        #  $findAnchoral = 0;            
-                            
-                            if($getb[0] eq $getp[$p]){
-                                
-                                $a1=($p+1);
-                            
-                                foreach $ifindAnchor(0..@findAnchor-1){
-                                    
-                                 #   print("yuaTest+++$getp[$p]+$findAnchor[$ifindAnchor]) && ($findAnchoral)\n");
-                                    
-                                    if ($getp[$p] eq $findAnchor[$ifindAnchor]){
-                                       # print("find this 1\n");
-                                        $findAnchor[$ifindAnchor] = '';
-                                        $findAnchorTemp[$ifindAnchor] = $a1;
-                                        $ifindAnchorTemp++;
-                                    }
-                                }
-                                
-                                foreach $iFragAnchor(0..@frag_change_before-1){
-                                    
-                                    if (($getp[$p] eq $frag_change_before[$iFragAnchor]) && ($keepX ne $frag_change_before[$iFragAnchor])){
-                                        $frag_change_before[$iFragAnchor]= '';
-                                        $frag_change_after[$iFragAnchor]= $flagNum.'*'.$a1;
-                                    }
-                                }
-                            }
-                            
-                            if($getb[1] eq $getp[$p]){
-                                
-                                $a2=($p+1);
-                                
-                                foreach $ifindAnchor(0..@findAnchor-1){
-                                    
-                                #     print("yuaTest+++$getp[$p]+$findAnchor[$ifindAnchor]) && ($findAnchoral)\n");
-                                    
-                                    if( $getp[$p]==$findAnchor[$ifindAnchor] ){
-                                 #         print("find this 2\n");
-                                        $findAnchor[$ifindAnchor]  = '';
-                                        $findAnchorTemp[$ifindAnchor] = $a2;
-                                        $findAnchoral = 1;
-                                        $findAnchorNu++;
-                                    }
-                                }
-                                
-                                foreach $iFragAnchor(0..@frag_change_before-1){
-                                    if (($getp[$p] eq $frag_change_before[$iFragAnchor]) && ($keepX ne $frag_change_before[$iFragAnchor])){
-                                        
-                                        $frag_change_before[$iFragAnchor]= '';
-                                        $frag_change_after[$iFragAnchor]=$flagNum.'*'.$a2;
-                                    }
-                                }
-                                
-                            }
-                        };
-                        
-                       # print "after hier: @frag_change_after\n";
-                        
-                        $z="  0  0  0  0";
-                        $ligneb[$longb]=sprintf"%3s%3s%3s  0  0  0  0",$a1,$a2,$getb[2];
-                        
-                      #  print "$a1,$a2,$getb[2]\n\n";
-                        
-                        $longb++;
-    
-                    };
-                };
-        };
-        
-        @findAnchor = @findAnchorTemp;
-
-        open(OUT,">>$ft_diss");
-        
-        foreach $p (0..2){
-            print OUT "$sdf[$p]";
-        };
-        
-        printf OUT "%3s%3s  0  0  0  0  0  0  0  0999 V2000\n",$longa,$longb;
-        
-        
-        foreach $f (0..@getp-1){
-            print OUT "$sdf[$getp[$f]+3]";
-        };
-
-        foreach $f (0..@ligneb-1){
-            print OUT "$ligneb[$f]\n";
-        };	
-                
-        print OUT "M  END\n";
-        
-        $ecritfin=0;
-        
-        foreach $mp (0..@sdf-1){
-            $ecritfin=1 if($sdf[$mp]=~/^>/);	
-            print OUT "$sdf[$mp]" if($ecritfin);
-        };
-        
-        print OUT "\$\$\$\$\n" if($ecritfin==0);	
-        close(OUT);		
-    };
-};
-
-sub molping_find{
-
-# ----------
-#
-#   find the atoms in LEA-string need to be changed
-#
-# ----------
-
-    &print_debug('molping_find');
-    
-    my $nanchor = 0, $tmp_mp = '', @fragment_mp = '';
-    
-    @findAnchor = '';
-
-    
-    foreach my $i_mol_frag($mol_start..$mol_end){
-
-        $tmp_mp = ' '.$molping[$i_mol_frag].' ' if ($who_call_me eq 'main');
-        $tmp_mp = ' '.$mp_main_tmp.' ' if ($who_call_me eq 'section');
-
-        if($tmp_mp =~ / $i_moli /){
-
-            @fragment_mp = split(' ', $molping[$i_mol_frag]) if ($who_call_me eq 'main');
-            @fragment_mp = split(' ', $mp_main_tmp) if ($who_call_me eq 'section');
-            
-            foreach my $i(0..@fragment_mp-1){
-                
-                my $ele = $fragment_mp[$i];
-                
-                foreach my $j($i+1..@fragment_mp-1){
-                    
-                    if($fragment_mp[$j] == $ele){
-                        $fragment_mp[$j] = '';
-                    }
-                }
-            }
-    
-            foreach $i_molping(0..@fragment_mp-1){
-                
-                if ($fragment_mp[$i_molping] == $i_moli){ 
-                       
-                    @fragment_mol = split(' ',$mol[$i_mol_frag]) if ($who_call_me eq 'main');
-                    @fragment_mol = split(' ',$mol_main_tmp) if ($who_call_me eq 'section');
-
-                    foreach $ifrag_mol(0..@fragment_mol-1){
-                    
-                        @fragment_mol1 = split('-',$fragment_mol[$ifrag_mol]);
-                        
-                        foreach $ifrag_mol1(0..@fragment_mol1-1){
-
-                            if ($fragment_mol1[$ifrag_mol1] =~/$i_moli\*/){
-                                
-                                @fragment_mol2=split('\*', $fragment_mol1[$ifrag_mol1]);
-                                
-                                $findAnchor[$nanchor] = $fragment_mol2[1];
-#                               
-                                $nanchor++;
-                                
-                                die "\nErr: defined in SPLIT.pl\n\n\n" if ($nachor > 1);
-
-                            }
-                            $fragment_mol[$ifrag_mol]=$fragment_mol2[0].'*'.$fragment_mol2[1];
-                        }
-                    }
-                }
-            }
-        }
-    }
-    
-#    print "findAnchor is @findAnchor\n\n\n";
-
-}
-
-
-sub molping_change{
-
-# ----------
-#
-#   change the atoms in LEA-string need to be changed
-#
-# ----------
-
-    &print_debug('molping_change');
-
-    my $tmp_mp = '';
-    $nanchor = 0;
-    
-    foreach my $i_mol_frag($mol_start..$mol_end){
-        
-        $tmp_mp = ' '.$molping[$i_mol_frag].' ' if ($who_call_me eq 'main');
-        $tmp_mp = ' '.$mp_main_tmp.' ' if ($who_call_me eq 'section');
-        
-        if($tmp_mp =~ / $i_moli /){
-            
-            @fragment_mp = split(' ', $molping[$i_mol_frag]) if ($who_call_me eq 'main');
-            @fragment_mp = split(' ', $mp_main_tmp) if ($who_call_me eq 'section');
-            
-            foreach $i(0..@fragment_mp-1){
-                my $ele = $fragment_mp[$i];
-                
-                foreach $j($i+1..@fragment_mp-1){
-                    if($fragment_mp[$j] eq $ele){
-                        $fragment_mp[$j] = '';
-                    }
-                }
-            }
-        
-            foreach $i_molping(0..@fragment_mp-1){
-            
-                if ($fragment_mp[$i_molping] eq $i_moli){
-                    
-                    @fragment_mol = split(' ',$mol[$i_mol_frag]) if ($who_call_me eq 'main');
-                    @fragment_mol = split(' ',$mol_main_tmp) if ($who_call_me eq 'section');
-                    
-                    foreach $ifrag_mol(0..@fragment_mol-1){
-                    
-                        @fragment_mol1 = split('-',$fragment_mol[$ifrag_mol]);
-                        
-                        foreach $ifrag_mol1(0..@fragment_mol1-1){
-
-                            if ($fragment_mol1[$ifrag_mol1] =~/$i_moli\*/){
-                            
-                                @fragment_mol2=split('\*', $fragment_mol1[$ifrag_mol1]);
-                                
-                                $fragment_mol2[1] = $findAnchor[$nanchor];
-                                
-                                $fragment_mol1[$ifrag_mol1]=join('*', @fragment_mol2);
-                                
-                                $nanchor++;
-                                
-                                die if ($nachor > 1);
-                            }
-                        }
-                      
-                        $fragment_mol[$ifrag_mol] = join('-', @fragment_mol1); 
-                    }
-                    
-                    $mol[$i_mol_frag] = join(' ', @fragment_mol) if ($who_call_me eq 'main');
-                    $mol_main_tmp = join(' ', @fragment_mol) if ($who_call_me eq 'section');
-                }
-            }
-        }
-    }
-
-}
-
diff --git a/workspace/Initialisation/Code/WRITE.pl b/workspace/Initialisation/Code/WRITE.pl
deleted file mode 100644
index f2c0623..0000000
--- a/workspace/Initialisation/Code/WRITE.pl
+++ /dev/null
@@ -1,654 +0,0 @@
-#!/usr/bin/perl
-
-print "WRITE OK \n";
-
-#=============================================================================#
-#       
-#               all subs about writing things
-#               
-#=============================================================================#
-
-sub write_mol_info{
-
-# ----------
-#
-#    to write the functional groups information of each molecule
-#
-# ----------
-    
-    &print_debug("write_mol_info");
-    
-    local *INFO;
-   
-    
-    open(INFO, ">>$fo_mol");
-    
-    # file header
-    if ($i_mol eq 1){
-        print INFO "# # # # # # # # # # # #\n\n";
-        print INFO "\# molecule information\n\n";
-        print INFO "\#\t-Summary of the functional groups of each molecule\n\n";
-
-        print INFO ("# # # # # # # # # # # #\n\n");
-    }
-    
-    # each group
-    print INFO "Nr.$i_mol: $ligne[1]\n";
-    
-    print INFO "There are $ngroupAll functional groups: $ngroup_single single groups, $ngroup_multi multi groups and $ncycle[$i_mol] cycles.\n";
-    
-    print INFO ("\ngroup\tNr.\trelevant atoms\n\n");
-
-    # write cycle
-  #  print INFO "-cycle\t$ncycle[$i_mol]\tatoms [ $cycle_atom[$i_mol] ]\t\n" if ($ncycle[$i_mol] > 0);
-    
-    # write functional groups
-    foreach $key(sort keys %nrGroup){
-    
-        if($nrGroup{$key} > 0){
-            $combineGroup{$key} = $groupAnchor{$key};
-            $combineGroup{$key} =~ s/#/ /g;
-            
-            if($key eq 'cycle'){
-                print INFO "-$key\t$ncycle[$i_mol]\t[ $cycle_atom[$i_mol] ]\t\n" if ($ncycle[$i_mol] > 0);
-            }
-            else{
-                print INFO "-$key\t$nrGroup{$key}\t[ $combineGroup{$key} ]\n"
-            }
-        }
-    }
-    
-    print INFO "\n\$\$\$\$\n\n\n";
-
-    close INFO;
-    
-};
-
-sub change_mol_2_frag{
-
-# ----------
-#
-#    this molecule is too complex to split
-#       -> all atom H is changed to atom X
-#       -> this molecule is used as one fragment
-#
-# ----------
-    my $atomH = 0, $if_change = 0;
-    local *IN;
-
-    unlink $ft_copy_all;
-    
-    # change atom H to X
-    
-    foreach my $i(0..@replace_charge_0-1){
-        
-        my @replace_item = split('\+', $replace_charge_0[$i]);
-    
-        $ligne[$replace_item[0]] = $replace_item[1];
-    }
-    
-    foreach my $i(0..@ligne){
-        $ligne[$i] =~ s/ H / X /g;
-    }
-    
-    # write the structure info in diss_all.sdf
-    open (IN, ">$ft_copy_all");
-        print IN @ligne;
-    close IN;
-
-    $i_lego++;
-    $mp_main_tmp = $i_lego;
-    $mol_main_tmp = '1*'.$combine_atomH;
-    $i_moli++;
-
-};
-
-sub copy_all_in_one{
-
-# ----------
-#
-#   write/copy all fragments(before split one-anchor-groups) in one file.
-#
-# ----------
-    
-    my ($write_file) = @_;
-    
-    &print_debug("copy_all_in_one", $write_file);
-    
-    local *IN;
-    my @line, $nr_atom, @atomTemp = '', $nr_atomX = 0;
-    
-    # read the number of atoms of this molecule
-    @line  = split(' ', $ligneTemp[4]);
-    $nr_atom  = $line[0];
-
-    # count the number of atom X
-    foreach my $m(5..5 + $nr_atom){
-        
-        @line = split(' ', $ligneTemp[$m]);
-        
-        if($line[3] eq 'X'){
-            $nr_atomX++;
-        }
-        
-        die "\nErr: One fragment has atom Y.\n\n" if($line[3] eq 'Y');
-    }
-    
-    # check, if a fragment is made up of only atom X
-    if($nr_atomX != $nr_atom){
-        
-        # if none of defined functional groups is found in one molecule, this molecule is defined as one fragment.
-        if(($mol_main_tmp eq '') && ($mp_main_tmp eq '')){
-            
-            print "\t\t-> This molecule is defined as 1 fragment.\n" if($ngroup_single == 0);
-
-            if (($ngroup_single == 0) && ($ngroup_multi == 0)){
-                
-                foreach my $i(0..@ligneTemp){
-                    $ligneTemp[$i] =~ s / H / X /g;
-                }
-            
-                $i_lego++;
-                $mp_main_tmp = $i_lego;
-                $mol_main_tmp = '1*'.$combine_atomH;
-                $i_moli++;
-            }
-        }
-        
-        # write the structure info in file
-        open(IN, ">>$write_file");
-        
-            print IN @ligneTemp;
-            
-        close IN;
-        $nr_add_frag++;
-    }
-    else{
-        die "\nErr: The fragment $i_lego is made up of only atom X. Please have a check of the $i_mol. molecule. \n\n";
-    }
-    
-}
-
-
-sub write_ligne{
-
-# ----------
-# 
-#    write the decomposed fragment inclusive Y atom(s)
-#
-# ----------
-
-    &print_debug('writeLigne');
-    
-    my $li;
-
-    # add information <tempXatom> for sub split_reactant.
-    # the anchor atom X muss not be retained.
-    
-    $ligne[$line_write+2] = $ligne[$line_write];
-    $ligne[$line_write] = "> <tempXatom>\n";
-    $ligne[$line_write+1]= "$tempXatom\n";
-
-    
-#     if ($is_last == 0){
-    # written in different files, if the call-me-subs are different
-    foreach $li (1..@ligne-1){
-        
-        if(($ngroup_multi == 0) && ($split_one_anchor == 0)){
-            print DOC $ligne[$li] if($ligne[$li] ne "");
-        }
-        else{
-            print TEMPDOC $ligne[$li] if($ligne[$li] ne "");
-        }
-        
-        if($li == 4 + $nbatom){
-                
-            foreach $li2(0..@ligneplus-1){
-                if(($ngroup_multi == 0) && ($split_one_anchor == 0)){
-                    print DOC $ligneplus[$li2];
-                }
-                else{
-                    print TEMPDOC $ligneplus[$li2];
-                }
-            };
-        };	
-    };
-
-     
-   
-    #lego/fragment is always added, as lang as the fragment info is written.
-    $i_lego++;
-
-    # copy the origin structure information in @ligne
-    
-   # print "@ligne\n++@ligneTemp\n\n";
-    
-    @ligne = @ligneTemp;
-#     foreach $li (0..@ligne-1){
-#         $ligne[$li] = $ligneTemp[$li];
-#     }
-}
-
-sub move_all_2_diss{
-
-# ----------
-#
-# if all multi-anchor-groups are splited, copy all fragments to dissociated.sdf 
-# -> next step is to split one-anchor-groups
-#
-# ----------
-
-    local (*COLL, *READ);
-    
-    unlink $ft_diss;
-    
-    # check if the number of fragments more than $tool_para{LONGGEN}
-    my @count = split(' ', $mp_main_tmp);
-        
-    if(@count > $tool_para{LONGGEN}){
-        
-        print "\n\t\tThe number of fragments is more than $tool_para{LONGGEN}. So it will be written as one fragment.\n";
-        
-        @ligne = '';
-        @ligne = @ligne_origin;
-        $i_lego = $i_lego - @count;
-        $i_moli = $i_moli - @count;
-        
-        &change_mol_2_frag;
-        
-    }
-
-    # write fragment in custom.sdf
-    open (COLL, ">>$fo_lib");
-    open (READ, "<$ft_copy_all");
-    
-    while(<READ>){
-        print COLL $_;
-    }
-    close COLL;
-    close READ;
-    
-    unlink $ft_copy_all;
-
-}
-
-
-sub write_split_result{
-
-# ----------
-# 
-#    write the split result in summary.OUT
-#    before write, the order of molping of each molecule muss be sorted, so that LEA3D could read and rebuild the molecule
-#
-# ----------
-    
-    local ($sumfile, $oper) = @_;
-    
-    &print_debug('write_split_result', $sumfile, $oper);
-    
-    
-    local (*OUT, $i, $j = 0);
-    
-    # sort the order of molping -> for LEA3D to read 
-    &sort_molping if ($oper eq 'all');
-    
-    # screen output
-    &print_line("Writing lea-strings in $sumfile") if($tool_para{WEIGHT} && $sumfile !~ /^new_/);
-    
-    &print_line("Writing lea-strings in $fo_str") if(!$tool_para{WEIGHT} && $sumfile =~ /^new_/);
-    
-    # write the combination's information in summary.out || new_summary.out
-    open(OUT, ">$sumfile");
-    
-    print OUT "\n\t\tresult from screening:\n\n";
-    print OUT "|generation\t|Rank\t|name\t|Score\t|Fragments\t|\n";
-    
-    for $i(0..@mol){
-    
-        if($mol[$i] ne ''){
-            $j++;
-            print OUT "|0\t|$j\t|$mol_name[$j-1]\t|$mol_score[$j-1]\t|\t$mol[$i] \/\t$molping[$i]|\n" ;
-            
-        }
-    }
-    close OUT;
-    
-    # screen output
-    if($tool_para{WEIGHT} && $sumfile !~ /^new_/){
-        
-        &print_screen_log("\t\t$j lea-strings are written in $sumfile\n\n");
-    }
-    
-    if(!$tool_para{WEIGHT} && $sumfile =~ /^new_/){
-        
-        &print_screen_log("\t\t$j lea-strings are written in $fo_str\n\n");
-    }
-}
-
-sub change_H2X{
-    
-# ----------
-#
-# change all atom H of each fragment to atom X, as a free anchor
-#
-# ----------
-    
-    local($f_in, $operator) = @_;
-     
-    if ($operator){
-    
-        &print_line ("Changing all H atom to anchor X atom and Add <POINT> info");
-    }
-    else{
-        &print_line ("Add <POINT> info");
-    }
-    
-    &print_debug ('change_H2X', $f_in, $nb = 0);
-    
-    local $ecrit = 1, $pasvu = 1, $point = "", $point2 = "", $f_out = "H_".$f_in;	
-    
-    local (*DOC);
-    
-    # read library file, find auch atom H and change them to atom X.
-    open(DOC, ">$f_out"); 
-    
-        &read_all_frag($f_in, 'change_H2X', $operator);
-    
-    close(DOC);
- 
-    rename $f_out, $f_in;
-    
-    if(($tool_para{WEIGHT})  && ($f_in !~ /^new_/) ){
-        &print_screen_log("\n\t\t$nb fragments are writing in $fo_lib\n\n");
-    }
-    elsif((!$tool_para{WEIGHT}) && ($f_in =~ /^new_/)){
-        &print_screen_log("\n\t\t$nb fragments are writing in $fo_lib\n\n");
-    }
-    #print "\t\t$nb fragments are writing in $f_in\n\n";	
-
-}
-
-sub write_usmiles_2_sdf{
-
-# ----------
-#
-# tTranslate USMILES to SDF-files
-#
-# ----------
-
-    local ($screen_file) = @_;
-    local *IN, $each_line, $i_line = 0, @mol_nr='', @mol_USMILES='';
-    
-    @mol_name='';
-    @mol_score='';
-    
-    
-    if ($screen_file eq ''){
-        
-        $screen_file = $path_temp.$screen_txt;
-        
-        print "\n\tDefault input TXT-file: $screen_file\n"; 
-    }
-    else{
-        $screen_file = $path_input.$screen_file;
-    }
-    
-    # read USMILES from TXT-file
-    &print_screen_log("\n\tNr.\tname\tUSMILES\tscore\n\n");
-    
-    open(IN, "<$screen_file") or die "\nErr: can't open the file $screen_file!\n";;
-        while(<IN>){
-        
-            $each_line = $_;
-            
-            if (($each_line ne '') && ($each_line !~ /^#/) && (($each_line ne ' '))){
-            
-                @get = split(' ', $each_line);
-            
-                $mol_nr[$i_line] = $get[0];
-                
-                $mol_name[$i_line] = $get[1];
-                
-                $mol_USMILES[$i_line] = $get[2];
-                
-                $mol_score[$i_line] = $get[3];
-                
-                &print_screen_log("\tMol $mol_nr[$i_line]\t$mol_name[$i_line]\t$mol_USMILES[$i_line]\t$mol_score[$i_line]\n");
-                
-                $i_line++;
-            } 
-        }
-    close IN;
-
-    &print_screen_log("\n\tRead $i_line molecules.\n");
-
-    
-    # write SDF-files
-    local *inSDF, *outSDF, *readSDF, $screen_file_out, $change_line;
-
-    $screen_file_out =$screen_sdf; 
-
-    remove_tree($path_temp."sdf");
-    remove_tree($path_output."sdf"); 
-  
-    mkdir $path_temp."sdf/";
-    unlink $screen_file_out;
-    unlink $screen_sdf;
-   
-    open(outSDF, ">$screen_file_out");
-
-    foreach $current_mol(0..@mol_USMILES-1){
-
-        #print "$mol_USMILES[$current_mol]\n";
-        
-        local $temp_sdf = $path_temp."temp.smi";
-        
-        unlink $temp_sdf;
-        
-        open(inSDF, ">$temp_sdf");
-        
-            print inSDF "$mol_USMILES[$current_mol]\n";
-       
-        close inSDF;
-        
-        # call COSMOquick to write SDF-file
-     #   my $sdf_file_tmp = $path_temp."sdf/".$current_mol.'_'.$mol_name[$current_mol].".sdf";
-         
-        my $sdf_file_tmp = $path_temp."sdf/".$current_mol.'_'.".sdf";
-      
-      
-        `$path_RDKit $temp_sdf $sdf_file_tmp`; 
-
-        $i_line = 0;
-        
-        # copy each SDF-file in one SDF-file
-        
-        open(readSDF, "<$sdf_file_tmp");
-            
-            while(<readSDF>){
-            
-                if($i_line == 0){
-                    $change_line = $mol_name[$current_mol]."----------".$mol_USMILES[$current_mol]."----------No.$mol_nr[$current_mol]\n";
-                    print outSDF $change_line;
-                }
-                else{
-                    print outSDF $_;
-                }
-                
-                $i_line++;
-            }
-        close readSDF;
-        
-        unlink $temp_sdf;
-    }
-
-    close outSDF;
-    
-    copy($screen_file, "$path_output/.start_USMI");
-    
-    print "\n\tTranslation is done!\n";
-}
-
-#=============================================================================#
-#       
-#               all subs about file things
-#
-#=============================================================================#
-
-sub edit_file{
-
-# ----------
-#
-# define and delete the gobal files 
-#
-# ----------
-
-    my ($operator) = @_;
-    
-    &print_debug('edit_file', $operator);
-    
-    if ($operator eq 'define'){
-        
-        # define
-        
-        # fo: acronym of file output
-        # ft: acronym of file temp
-        # fi: acronym of file in
-        # path: paths
-        # screen: result from screening
-        
-        # define paths
-        chomp($path_local = `pwd`);
-        $path_temp = './temp/';
-        $path_input = '../Input/'; 
-        $path_output = '../Output/';
-        
-        # require RDKit paths for tTranslation of USMILES to SDF-file
-        $path_RDKit = '../../LEA_run_options.pl';
-        
-        require "$path_RDKit" if (-e $path_RDKit) or die "Err: Can't find file $path_RDKit";
-       
-        $path_RDKit =$generalFolder.$rdkitdir;
-
-        # define files
-        $fi_setin_group = 'setting_group.in'; # !!!!
-        $fi_setin_general = 'setting.in';
-        
-        $fo_str = 'custom.out';
-        $fo_lib = 'custom.sdf';
-        $fo_mol = 'mol_group_info.txt';
-        $fo_allmol = 'all_mol_fromDir.sdf';
-        
-        $fo_log_lea = '.log_lea';
-        #$fo_log_main = 'log.main';
-        
-        $ft_lib = 'outputTemp.sdf';
-        $ft_lib_t = 'outputTemp_1.sdf';
-        $ft_copy_all = 'diss_all.sdf';
-        $ft_single = 'dissociated_ONE.sdf';
-        $ft_diss = 'dissociated.sdf';
-        
-        $screen_txt = 'top_mol_from_screening.txt';
-        $screen_sdf = 'screen.sdf';
-        $unique_sdf = 'unique.sdf';
-
-        # writing LOG-file, only for lea Output (hidden data)
-        open(LOGLEA, ">$fo_log_lea") or die "Err: can't open $fo_log_lea!\n";;
-
-    }
-    elsif ($operator eq 'delete_a'){
-        
-        # delete all files before the algorithmus starts 
-        unlink $ft_diss;
-        unlink $fo_str;
-        unlink $ft_lib;
-        unlink $ft_lib_t;
-        unlink $fo_mol;
-        unlink $ft_copy_all;
-
-        unlink $fo_lib;
-        unlink 'new_custom.sdf';
-        unlink $fo_allmol;
-        
-        # empty directory
-        unlink glob "'../Output/*.*'";
-        unlink glob "'./temp/*.*'";
-        unlink glob "'dissociated*'";
-        
-    }
-    elsif($operator eq 'delete_e'){
-        
-        # delete all temporary files before the algorithmus stops
-        unlink $ft_lib if (-e $ft_lib);
-        unlink $ft_diss if(-e $ft_diss);
-    
-        unlink glob "'dissociated*'";
-        unlink glob "'./temp/*.*'";
-    }
-    elsif($operator eq 'end'){
-        
-        # move files to OUTPUT directory
-        if ($tool_para{WEIGHT}){
-            
-            rename $fo_str, "$path_output$fo_str";
-            rename $fo_lib, "$path_output$fo_lib";
-            rename "new_$fo_lib", "$path_output$unique_sdf";
-            unlink "new_$fo_str";
-
-        }
-        else{
-            
-            rename "new_$fo_lib", "$path_output$fo_lib";
-            rename "new_$fo_str", "$path_output$fo_str";
-
-            unlink $fo_str, $fo_lib;
-        }
-        
-        if ($operation eq '-mat' || $operation eq '-txt' || $operation eq '-dir'){
-            
-            if($tool_para{SDF}){
-            
-                rename $fo_allmol, "$path_output$fo_allmol" if(-e $fo_allmol);
-                rename $screen_sdf, "$path_output$screen_sdf" if(-e $screen_sdf);
-            
-            }
-            
-            if ($operation eq '-mat' || $operation eq '-txt'){
-                
-                if($tool_para{SDFDIR}){
-                    system("mv $path_temp/sdf $path_output"); 
-                }
-                else{
-                    system("rm -r $path_temp/sdf");
-                }
-                
-                if ($operation eq '-mat'){
-                    
-                    rename "$path_temp/top_mol_from_screening.txt", "$path_output/top_mol_from_screening.txt" if($tool_para{TXT});
-                }
-            }
-        }
-
-        # group information of each molecule
-        rename $fo_mol, "$path_output$fo_mol" if($tool_para{MOLINFO});
-        
-        # log file
-        rename $fo_log_lea, "$path_output$fo_log_lea" if($tool_para{LOGLEA});               
-
-        unlink $inputfile_ori;
-        
-        &print_footer;
-        
-        close LOGLEA;
-        
-        &sendmail('1') if($tool_para{SENDMAIL});
-            
-    }
-    else{
-        
-        die "\nErr: This operator $operator isn't in sub edit_file defined.\n\n";
-    }
-}
-
-
-
diff --git a/workspace/Initialisation/Code/handle_MATfile.m b/workspace/Initialisation/Code/handle_MATfile.m
deleted file mode 100644
index 076c3fe..0000000
--- a/workspace/Initialisation/Code/handle_MATfile.m
+++ /dev/null
@@ -1,75 +0,0 @@
-function [ ] = handle_MATfile( nameMAT, topMOL, txtFile )
-    
-    %
-    % read *.mat file from screening in directory Input
-    %
-    % Note to me
-    % Function -> Input is mat name
-    % add note -> delete temp directory
-
-    %% user define parameters 
-    % name of the MAT-file 
-%     % Attention: only name needed, no path please
-%     if isempty(nameMAT)
-%          error('\nErr: input MAT-file %s is empty! \n\n',nameMAT);
-%     end
-%     
-%     if isempty(topMOL)
-%         warning('\nWarn: the number of molecules to split is empty! Set to 20!\n\n'); 
-%         topMOL = 20;
-%     end
-    
-    %nameMAT = 'test_small.mat';
-
-    % the number of molecules which should be fragmented
-    % topMOL = 20;
-
-    %% processing
-    
-    pathMAT = strcat('../Input/', nameMAT);
-    load(pathMAT);
-
-
-    % ranking and read
-    [~,index] = sortrows([molStruct.Score].');
-    molStruct = molStruct(index(end:-1:1)); clear index
-
-    if length(molStruct) < topMOL
-
-        error('\nErr: There are only %d molecules from Screening. \n     But you have defined %d molecules to output. Please have a check.\n\n', n, topMOL);
-
-    end
-
-    molecules = cell(4, topMOL);
-
-    header = {'#nr.' 'name' 'USMI.' 'score'};
-
-    for i = 1:topMOL
-
-        molecules{1, i} = i;
-        molecules{2, i} = molStruct(i).name;
-        molecules{3, i} = molStruct(i).SMILES;
-        molecules{4, i} = molStruct(i).Score;
-    end
-
-
-    % write TXT-file in directory temp
-    
-    pathTXT = strcat('./temp/', txtFile);;
-    
-    fp = fopen(pathTXT, 'wt');
-
-    formatSpec = '%d\t%s\t%s\t%.3f\n';
-
-    fprintf(fp, '%s\t%s\t%s\t%s\n', header{:});
-
-    fprintf(fp, formatSpec, molecules{:});
-
-    fclose(fp);
-
-    % screen output
-    % disp('TXT-file top_mol_from_screening.txt is written in directory temp!');
-
-
-end
-
diff --git a/workspace/Initialisation/Code/setting.in b/workspace/Initialisation/Code/setting.in
deleted file mode 100644
index 1b0cca9..0000000
--- a/workspace/Initialisation/Code/setting.in
+++ /dev/null
@@ -1,64 +0,0 @@
-###############################################################################
-#                                  setting.in                                 #
-###############################################################################
-
-#=============================================================================#
-#   split control parameter
-#=============================================================================#
-
-## substitution of H atom
-# with substitution: 1
-#   -> All H atoms of each fragment will be substituted by X atoms.
-# without substitution: 0
-#   -> Only the split spots are X atoms.
-SUBSTITUTION    1
-
-## fragment library with or without weight
-# 1: with
-# 0: without
-WEIGHT          1
-
-## debugging
-# 1: with
-# 0: no
-DEBUG           0
-
-## how many molecules should be splited
-# only active if input data type is mat
-TOPMOL          100
-
-## The maximum number of non-H-atom 
-# If out of bound the molecule will be set as one fragment
-# recommended value 12
-NRNONH          100
-#12
-
-## The maximum number of group CH3
-# if the number of CH3 of one molecule is out of bound, the group CH3 will not be splited.
-NRCH3           10
-
-## The maximum number of splited fragments
-# recommended value 10 (the same as LEA3D)
-# if out of bound, the molecule will be set to one fragment 
-# recommended value 10
-LONGGEN           10
-
-## write email
-SENDMAIL          0
-
-#=============================================================================#
-#   output files parameter
-#=============================================================================#
-
-## please don't change
-# group infromation of each molecule
-MOLINFO         1
-
-# log file for lea to read
-LOGLEA          1
-
-## define as you want
-TXT             1
-SDF             1
-SDFDIR          1
-
diff --git a/workspace/Initialisation/Code/setting_group.in b/workspace/Initialisation/Code/setting_group.in
deleted file mode 100644
index 789a523..0000000
--- a/workspace/Initialisation/Code/setting_group.in
+++ /dev/null
@@ -1,57 +0,0 @@
-###############################################################################
-#                                                                             #
-#                            setting_group.in                                 #
-#                                                                             #
-###############################################################################
-
-#
-#   Stand August 2018
-#
-#   1) to define groups, which need to be splited
-#       -> 0: Split is closed.
-#       -> 1. Split is open.
-#   2) regulation: just like SMILES, but H atom is explizit
-#   3) In main code there are only three types of groups: single, multi, and cycle.
-#   4) The symbol # is for comment.
-#
-
-#=============================================================================#
-# one X anchor
-#=============================================================================#
-
-OH              1
-C(H)(H)H        1
-C(=O)OH         1
-N(H)H           1
-# VII means: F, Cl, Br, I
-VII             1
-C+N             1
-
-
-#=============================================================================#
-# two X anchors
-#=============================================================================#
-
-C=O             1
-C(=O)C=O        1
-C(=O)O          1
-O               1
-NH              1
-C+C             1
-
-
-#=============================================================================#
-# three X anchors
-#=============================================================================#
-N               1
-
-#=============================================================================#
-# >=four X anchors
-#=============================================================================#
-C=C             1
-
-
-#=============================================================================#
-# cycle
-#=============================================================================#
-cycle             1
diff --git a/workspace/Initialisation/Code/splitGroup.pl b/workspace/Initialisation/Code/splitGroup.pl
deleted file mode 100644
index 298805e..0000000
--- a/workspace/Initialisation/Code/splitGroup.pl
+++ /dev/null
@@ -1,198 +0,0 @@
-#!/usr/bin/perl
-
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # 
-#       
-#    MAIN Code to decomposite the chemical functional groups of molecules.
-#
-#    - Stand August 2018
-#
-#    - written by Yifan Wang(a), supervised by Lorenz Fleitmann(b).
-#      a: Institute of Thermodynamics and Thermal Process Engineering at University of Stuttgart
-#      b: Chair of Technical Thermodynamics at RWTH Aachen
-#
-#    - Info:
-#        1) Subroutines are also found in READ.pl, FIND.pl, WRITE.pl, SPLIT.pl, SORT.pl, PRINT.pl and handle_MATfile.
-#        2) Setting files are needed: setting.in and setting_group.in
-#        3) Some Code are original from LEA3D.
-#
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
-
-#=============================================================================#
-#
-#                                     MAIN
-#
-#=============================================================================#
-
-#---------- header ----------
-
-use File::Copy;
-use File::Path qw(remove_tree);
-use List::Util qw(min max);
-use List::MoreUtils qw(uniq);
-use Scalar::Util qw(looks_like_number);
-
-
-# call subroutines
-require "./READ.pl";
-require "./WRITE.pl";
-require "./PRINT.pl";
-require "./FIND.pl";
-require "./SPLIT.pl";
-require "./SORT.pl";
-
-# define global files name
-&edit_file('define');
-
-# clean directories
-&edit_file('delete_a');
-
-# print header
-&print_header; 
-
-#---------- get input and check enviroment ----------
-
-# script input 
-# $operation = -sdf, -dir, -txt, -i, -mat 
-# $inputfile = data name in directory Input without path
-local($operation, $inputfile) = @ARGV;
-
-# check directories and files
-if (!(-e $path_output)||(!(-e $path_input))||(!(-e $path_temp))){
-    die "\nErr: Your enviroment is wrong! Please have a look if directory ../Input/, ../Output/, ./temp/ exist!\n\n\n";
-}
-
-# check input data
-if($operation eq '-i'){
-     &print_i;
-}
-elsif(($operation ne '-sdf') && ($operation ne '-dir') && ($operation ne '-txt') && ($operation ne '-mat') ){
-    die "\nErr: Cannot understand your input, please try ./splitGroup.pl -i\n\n\n";
-}
-
-if (!(-e "$path_input/$inputfile")||(-z "$path_input/$inputfile") || $inputfile eq ''){
-    die "\nErr: Cannot find the input data in read_directory $path_input$inputfile or the input data is empty!\n\n\n";
-}
-
-#---------- read setting.in ----------
-&read_setting_in('1');
-
-#---------- call subroutines according to $operation ----------
-if ($operation eq '-sdf'){
-    
-    &print_line("Input is one SDF-file: $inputfile");
-    
-    copy("$path_input/$inputfile",  "./$inputfile") or die "\nErr: can't copy file $inputfile!\n";;
-}
-elsif($operation eq '-dir'){
-    
-    &print_line("Input is one SDF-directory: $inputfile");
-    
-    # if input is a directory, call the sub -> without ranking
-    &read_directory; 
-}
-elsif($operation eq '-txt'){
-    
-    &print_line("Input is one TXT-file: $inputfile");
-    
-    # translate USMILES to SDF files
-    &write_usmiles_2_sdf($inputfile);
-    
-    $inputfile = $screen_sdf;
-}
-elsif($operation eq '-mat'){
-    
-    &print_line("Input is one MAT-file: $inputfile");
-    
-    # sort molecule according to molStruct.score
-    # write USMILES of TOP TOPMOL (see setting.in) molecules in TXT-files
-    print "\t\tCalling MATLAB-script...\n\n";
-    
-    system("$generalFolder/MATLAB/bin/matlab -nojvm -nosplash -nodisplay -singleCompThread -r \"chdir\('$path_local'\), handle_MATfile('$inputfile', $tool_para{TOPMOL}, '$screen_txt'), quit \" " );;
-   
-    print "\t\tMATLAB-script done!\n\n";
-    
-    # translate USMILES to SDF files
-    &write_usmiles_2_sdf;
-    
-    $inputfile = $screen_sdf;
-}
-
-# read setting_group.in file
-&read_setting_groupin('1');
-
-#---------- find cycle ----------
-# find if there is a cycle every molecule
-# if yes, change the bond information
-
-# to remember the combination of cycle
-# @ncycle = '';
-# @cycle_atom = '';
-$inputfile_ori = $inputfile;
-
-@remember_charge = '';
-&find_cycle($inputfile, 1);
-
-#---------- global variables ----------
-$i_mol = 0, $i_lego = 0, $i_moli = 0;  
-
-$split_one_anchor = 0;
-$fragDelete = '';
-$failed_mol = '';
-
-@mol='', @molping='';
-@lego ='', @legono ='', @typelego ='', @points ='';
-
-#---------- read inputfile ----------
-#(big deal in it :D)
-
-local *DOC;
-
-open(DOC, ">$ft_lib");
-
-    &read_origin_mol($inputfile);
-
-close DOC;
-
-#---------- post-processing ----------
-
-$i_moli = 0;
-$mol_start = 1;
-$mol_end = @molping;
-
-# delete new_input file
-unlink $inputfile;
-
-
-# file custom.sdf: change atoms H to X, write ><POINT> info
-&change_H2X($fo_lib, $tool_para{SUBSTITUTION});
-
-# write summary.out
-&write_split_result($fo_str, 'all');
-
-# delete temporary files
-&edit_file('delete_e');
-
-# delete redundant fragments
-&sort_redundant;
-
-#&change_H2X($fo_lib, 'withH'); # earlier the operator is withH
-
-# change combination of cycle in custom.sdf
-# @cycle_atom = '';
-# @ncycle = '';
-# @cycle_atom = '';
-&find_cycle($fo_lib, 0);
-
-# file new_collection.sdf: change atoms H to X, write ><POINT> info
-$fo_lib_new = 'new_'.$fo_lib;
-
-&change_H2X($fo_lib_new, $tool_para{SUBSTITUTION});
-
-# @cycle_atom = '';
-# @ncycle = '';
-# @cycle_atom = '';
-&find_cycle($fo_lib_new, 0);
-
-# move files to directory Output and rename
-&edit_file('end');
-
diff --git a/workspace/Initialisation/Code/utilities/u_add_number.pl b/workspace/Initialisation/Code/utilities/u_add_number.pl
deleted file mode 100644
index a0fff4b..0000000
--- a/workspace/Initialisation/Code/utilities/u_add_number.pl
+++ /dev/null
@@ -1,54 +0,0 @@
-#!/usr/bin/perl
-
-# # # # # # # # # # # # # # # # #
-#
-#   Utility:
-#     - to number each fragments/molecules in one sdf file
-#        The number will be added in the first line of each connetion table and starts from 1.
-#        E.g. -------Nr.1
-#     - input is a sdf-file
-#     - call the function: ./u_add_number.pl file.name	
-#
-# # # # # # # # # # # # # # # # #
-
-
-local($file) = @ARGV;
-
-die "\nErr: This is no file called $file. Please check your input file name.\n\n" if !(-e $file);
-
-my $filenew = $file.'_new';
-
-
-open(FILEIN, "<$file");
-open(FILEOUT, ">$filenew");
-
-local $addnu = 1, $inu = 0;
-
-while(<FILEIN>){
-    
-    my $conv = $_;
-    
-    if($addnu){
-        
-        $addnu = 0;
-        $inu++;
-
-        chop($conv);
-        
-        $conv = $conv.'----Nr.'.$inu."\n";
-   
-    }
-    
-    print FILEOUT $conv;
-    
-    if($conv =~/\$\$\$\$/){
-        $addnu = 1;
-    }
-}
-
-close FILEIN;
-close FILEOUT;
-
-rename $filenew, $file;
-
-print "\n\t\t\t\tDone!\n\n";
diff --git a/workspace/Initialisation/Code/utilities/u_findSame.pl b/workspace/Initialisation/Code/utilities/u_findSame.pl
deleted file mode 100644
index 00414ce..0000000
--- a/workspace/Initialisation/Code/utilities/u_findSame.pl
+++ /dev/null
@@ -1,99 +0,0 @@
-#!/usr/bin/perl
-
-# # # # # # # # # # # # # # # # #
-#
-#   Utility:
-#     - to compare USMILES from two files ( one txt and COSMO-CAND log file)
-#        
-#
-# # # # # # # # # # # # # # # # #
-
-local ($file) = @ARGV;
-local *IN, $file1, $file2;
-
-$file1 = $file.'.txt';
-$file2 = $file.'.log';
-
-# check enviroment
-die "Err: $file1 doesn't exist.\n\n" if(!-e $file1);
-die "Err: $file2 doesn't exist.\n\n" if(!-e $file2);
-
-die "Err: $file1 is empty.\n\n" if(-z $file1);
-die "Err: $file2 is empty.\n\n" if(-z $file2);
-
-# print header
-my $text="
-    ########################################################################\n\n
-    \t\t\tcompare USMILES from two files\n\n
-    ########################################################################\n\n";
-
-system("echo \"$text\""); 
-
-
-my $i = 0, $j = 0, $if_read = 0, $line = '', @mol_USMILES = '', @mol_USMILES_2 = '', @get = ''; @nr = '';
-
-
-# read USMILES from TXT file
-open (IN, $file1) or die "Err: Can't open the file $file1.\n";
-
-  while(<IN>){
-  
-    my @get = split(' ', $_);
-    
-    $nr[$i] = $i+1;
-    $mol_USMILES[$i] = $get[@get-1];
-    $mol_USMILES[$i] =~ s/\#/\+/g;
-    $mol_USMILES[$i] =~ s/\[/\^/g;
-    $mol_USMILES[$i] =~ s/\]/_/g;
-    $i++;
-  }
-
-close IN;
-
-print "\tread $i USMILES from $file1\n\n";
-
-
-#read USMILES from log file of COSMO-CAMD 
-$i = 0;
-open (IN, $file2);
-
-  while(<IN>){
-    
-    $line = $_;
-    
-    if($if_read){
-      
-      @get = split(' ', $_);
-    
-      $mol_USMILES_2[$i] = $get[@get-1];
-      $if_read = 0;
-
-      $i++;
-    }
-   
-    if ($line =~ /^Molecule No./){
-      $if_read = 1;
-    }
-    
-  }
-
-close IN;
-
-print "\tread $i USMILES from $file2\n\n\n";
-
-foreach $i(0..@mol_USMILES){
-  
-#   #print all USMILES
-#   print "$nr[$i]\t$mol_USMILES[$i]\t\t\t$mol_USMILES_2[$i]\n";
-  
-  if (($mol_USMILES[$i] ne $mol_USMILES_2[$i]) ){#&& ($mol_USMILES[$i] !~/N\(=O\)=O/)){
-    
-    print "$nr[$i]\t$mol_USMILES[$i]\t\t\t$mol_USMILES_2[$i]\n";
-    print "\n-------------------------------------------------\n\n";
-    $j++;
-  }
-}
-
-$i = @mol_USMILES;
-
-print "\tThere are $j different USMILES-Paar of $i\n\n\n";
diff --git a/workspace/Initialisation/Code/utilities/u_mol2frag.pl b/workspace/Initialisation/Code/utilities/u_mol2frag.pl
deleted file mode 100644
index 7db161e..0000000
--- a/workspace/Initialisation/Code/utilities/u_mol2frag.pl
+++ /dev/null
@@ -1,163 +0,0 @@
-#!/usr/bin/perl
-
-# # # # # # # # # # # # # # # # #
-#
-#    Utility:
-#    - change a molecule directly to fragment
-#        -> change all atom H to X
-#        -> add ><POINT> information
-#
-# # # # # # # # ## # # # # ## # # 
-
-local($f_in) = @ARGV;
-
-local $f_out = 'fragments.sdf';
-
-local (*IN, *OUT, $point = "", $point2 = "");
-
-my $new_mol = 1, $i_mol = 0, $compt, $nbatom, $nbond, @get, @coller;
-
-
-&print_header;
-
-# if inputfile is not correct
-if ($f_in eq ''){
-    die "Err: You need to give a file name.\n\tLike: ./mol2frag.pl <file>\n\n\n";
-}
-
-if (!(-e $f_in)||(-z $f_in)){
-    die "\nErr: Cannot find the inputfile!\n\n\n";
-}
-if (!(-f $f_in)){
-    die "\nErr: Not a file name, please check your inputfile\n\n\n";
-}
-
-unlink $f_out if(-e $f_out);
-
-print "\tReading $f_in...\n\n";	
-
-open(OUT, ">$f_out");
-open(IN,  "<$f_in"); 
-    
-    while(<IN>){
-
-        if ($new_mol){
-
-            $i_mol++;
-            $compt=0;
-            $i=1;
-            $j=0;
-
-            $new_mol=0;
-
-        };
-
-        @get = split(' ',$_);
-        
-        $compt++;
-
-        if (($compt > 4) && ($i <= $nbatom)){
-
-            $comp2 = $compt-4;
-
-            if ($get[3] eq 'H'){
-                $_ =~ s/ H / X /g;
-                $get[3] = 'X';
-            }
-        
-            $point=$point."-".$comp2."-" if ($get[3] eq "X");
-            
-            $i++;
-        };
-
-        if (($compt > 4) && ($i > $nbatom) && ($j <= $nbond)){
-            
-            if ($j == 0){
-                $j++;
-            }
-            else{
-                
-                if($point=~/\-$get[0]\-/){
-
-                    $point2=$point2."-".$get[1];
-                }
-                elsif($point=~/-$get[1]-/){
-                    $point2=$point2."-".$get[0];
-                };
-
-                $j++;
-            };
-        };
-        
-        if ($compt == 4){
-            
-            $nbatom=$get[0];
-            $nbond=$get[1];
-
-            @coller=split(' *',$nbatom);
-            
-            if(@coller > 3 && @coller == 6){
-                $nbatom=$coller[0].$coller[1].$coller[2];
-                $nbond=$coller[3].$coller[4].$coller[5];
-            }
-            elsif( @coller > 3 && @coller == 5){
-                if($_=~/^\s/){
-                    $nbatom=$coller[0].$coller[1];
-                    $nbond=$coller[2].$coller[3].$coller[4];
-                }
-                else{
-                    $nbatom=$coller[0].$coller[1].$coller[2];
-                    $nbond=$coller[3].$coller[4];
-                };
-            };
-        };
-        
-        if($_=~/^\$\$\$\$/){
-            
-            $point2 =~ s/^-//;
-            $point2 =~ s/-$//;
-           
-	    	print OUT "> <POINTS>\n";
-            print OUT "$point2\n";
-            print OUT "\n";
-            
-            $point="";
-            $point2="";
-
-            $new_mol=1;
-            
-        };
-  
-        print OUT $_;	
-        
-    } 
-    
-close (IN);
-close (OUT);
-
-print "\t$i_mol fragments are writing in $f_out.\n\n\n";	
-
-
-#------------------------------------------------------------------
-#------------------------------------------------------------------
-# subs
-
-sub print_header{
-
-# ----------
-#
-# just print header
-#
-# ----------
-
-    my $text="
-    ####################################################################\n\n
-    \t\t\tchange molecules to fragments\n\n
-    ####################################################################\n\n";
-
-    system("echo \"$text\""); 
-
-}
-
-
-
diff --git a/workspace/Initialisation/Input/.screen.sdf.swp b/workspace/Initialisation/Input/.screen.sdf.swp
deleted file mode 100644
index 2bb28c9a50ea51b5d3972abc98adcf19ec8f294a..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

literal 12288
zcmYc?2=nw+u+TGLU|?VnU|^`_NRQstW5#eghk>E8JTWgFBu)SqB<rRYmlzXJ#lWDS
zUr?f-T3n*<<LYSaqF<h0lwDkqn4B7KV5skzmsygTn3GwYSdy8ar|+3pP+Fp2oLrQe
znx|Ksl19+%Q3azRFd71QLZGxHP1k}q)Y!-noYj?;6cvPpLh)!Al^P9!(GVC7fzc2c
z4S~@R7!85Z5Eu=C(GVDJAy87l$WYI~z`z9cm@JfLM5CeHQED^<MnhmU1V%$(Gz3ON
zU^E0qLtr!nMnhmU1V%$(Gz3ONU<iglVhRJpDQ*UaC?3fCKdk?MkDr0zI6ni!F@6Sy
zdHf6vVf+jXd>}p_14A7j1A`eK1H(IB28Lz43=DC+3=E>Y3=AB+3=F?{7#QC1Ffcsi
zVPLqz!@zKyhk;=i4+Fzm9tMVGJPZsIco-P!co-OJc^DXyco-NGco-Psc_8-ZfZQ+y
z!*JBeqaiRF0;3@?8UmvsFd71*Aut*OqaiRF0xBvhDhvz;40Z|%HhHDFNvTEgMfoL3
z`FSbDb_xm_hMEct3?_P(#s-##AZ%n{W@v5!Rvqf*rkk3VT9jT1Q|POp;OghXprBx^
zpkS$>V5p#A0O435bIjo!Lj?shWR58^#{|wX0viZ5%}_zX2ri?bV5DbgVrr_OprC7@
zXJBk>31JzTnHVT|C@3fxpdyeNs3HcOmR1Z33JMB_dIm-YMi7>vxq%6YWuRwbVrWjR
zK^8D`%nhLqGBq)>0GVT`XJBq&LaaIFAaisL^(;)yK)Q7e^h}IRKrYiY)H5)&uprhP
zGpIR6X2!;lU@<p0gZj(N*us!lb4;P;7#o_HfqY}2XK4&}nSz0yfq@~>{xSiXqhP3K
zXl!f%F~`8t+z`StG_$l+aK?-<wD<#YIgP>Q80Z;-!W10wMi!PZA6gn&DEJd+juFTl
zT|+%XLlclIbPe<jjm*s<A!TH0OtgCp8NjLC0xe;|xt5le3SmYD1_lfu3l$WCT)Z<&
eK;DL6V;6?p{2X04aQ1hGvvvLQ^(-w+%^3jyqS7n?

diff --git a/workspace/Initialisation/Input/23706.txt b/workspace/Initialisation/Input/23706.txt
deleted file mode 100644
index 6e93ffa..0000000
--- a/workspace/Initialisation/Input/23706.txt
+++ /dev/null
@@ -1,23706 +0,0 @@
-1	mol	Br
-2	mol	BrBr
-3	mol	Brc1cc(Br)ccc1
-4	mol	Brc1cc(Br)oc1
-5	mol	Brc1ccc(Br)cc1
-6	mol	Brc1ccccc1
-7	mol	BrC1CCCCC1
-8	mol	BrC1CCCCC1Br
-9	mol	BrC1CCCCC1C#C
-10	mol	Brc1cc(ccc1)C=C=C
-11	mol	Brc1ccc(cc1)C=C=C
-12	mol	Brc1ccccc1C=C=C
-13	mol	BrC1CC(CCC1)C=C=C
-14	mol	BrC1CCCCC1C=C=C
-15	mol	BrC1CCCC(C1C#C)N(=O)=O
-16	mol	Brc1ccccc1C#N
-17	mol	Brc1cc(ccc1C#N)C=C=C
-18	mol	BrC1CCCCC1C(O)=O
-19	mol	Brc1cc(ccc1)N(=O)=O
-20	mol	Brc1ccccc1N(=O)=O
-21	mol	BrC1CCCCC1OC=O
-22	mol	Brc1ccc(C=C)cc1
-23	mol	Brc1ccc(C#C)cc1
-24	mol	Brc1cc(C#C)ccc1
-25	mol	Brc1ccc(C=C=C)cc1Cl
-26	mol	Brc1cc(C#C)co1
-27	mol	Brc1cc(C=C=C)oc1
-28	mol	Brc1c(C=C=C)coc1C=C
-29	mol	Brc1ccccn1
-30	mol	BrC1CCCCN1
-31	mol	Brc1cc(ccn1)C=CC=C
-32	mol	Brc1cc(ccn1)C#CC=C
-33	mol	Brc1cc(ccn1)N(=O)=O
-34	mol	Brc1cc(C#C)oc1
-35	mol	Brc1ccc(C=O)cc1
-36	mol	Brc1c(C=C=C)occ1C=C
-37	mol	Brc1c(C=C=C)occ1C=O
-38	mol	BrC1CCC(F)C(C1Cl)C(O)=O
-39	mol	Brc1cccnc1
-40	mol	BrC1CCCNC1
-41	mol	Brc1cc(C#N)ccc1
-42	mol	Brc1cc(C#N)co1
-43	mol	BrC1CCCO1
-44	mol	BrC1=CCCO1
-45	mol	BrC1CC=CO1
-46	mol	BrC1(CC=CO1)C#C
-47	mol	BrC1(CC=CO1)C=C=C
-48	mol	BrC1(CCCO1)C#N
-49	mol	BrC1CC(CO1)C#N
-50	mol	BrC1(CC=CO1)C=O
-51	mol	BrC1(CC=CO1)C(O)=O
-52	mol	Brc1cc(co1)N(=O)=O
-53	mol	BrC1(CCCO1)N(=O)=O
-54	mol	Brc1cc(C=O)ccc1
-55	mol	BrC1CC(F)=CO1
-56	mol	Brc1ccncc1
-57	mol	BrC1CCNCC1
-58	mol	Brc1ccncc1C=C
-59	mol	BrC1(CCNCC1)C#C
-60	mol	BrC1(CCNCC1)C=O
-61	mol	Brc1ccncc1N(=O)=O
-62	mol	BrC1CCOC1
-63	mol	BrC1C=COC1
-64	mol	Brc1ccoc1Br
-65	mol	Brc1ccoc1C=C
-66	mol	BrC1C=COC1C#C
-67	mol	Brc1ccoc1C=C=C
-68	mol	BrC1C=COC1C=C=C
-69	mol	BrC1CCOC1C=C=C
-70	mol	Brc1cc(oc1C=C=C)N(=O)=O
-71	mol	BrC1C=COC1(C=C=C)N(=O)=O
-72	mol	Brc1cc(oc1)N(=O)=O
-73	mol	Brc1ccoc1N(=O)=O
-74	mol	BrC1C=COC1N(=O)=O
-75	mol	BrC1C=COC1OC#N
-76	mol	BrC1CC([SiH3])=CO1
-77	mol	Brc1cnccc1C=C
-78	mol	BrC1CNCCC1(F)OC=O
-79	mol	Brc1coc(Br)c1Br
-80	mol	Brc1coc(Br)c1C=C=C
-81	mol	Brc1coc(Br)c1O
-82	mol	Brc1cocc1
-83	mol	BrC1=COCC1
-84	mol	Brc1cocc1Br
-85	mol	Brc1cocc1C=C
-86	mol	Brc1cocc1C=C=C
-87	mol	Brc1cocc1C#CC=C
-88	mol	Brc1cocc1C#CC=O
-89	mol	Brc1coc(C=C)c1Br
-90	mol	BrC1COC(C=C)C1C=C=C
-91	mol	Brc1coc(C=C=C)c1C=C=C
-92	mol	Brc1coc(C=C=C)c1C#N
-93	mol	Brc1coc(C=C=C)c1F
-94	mol	Brc1coc(C=C=C)c1N
-95	mol	Brc1coc(C=C=C)c1N(=O)=O
-96	mol	BrC1C([SiH3])=COC1C(O)=O
-97	mol	Brc1nc(C=C)ccc1
-98	mol	BrC1OC(Br)CC1
-99	mol	Brc1oc(Br)c(C=C=C)c1Br
-100	mol	Brc1oc(Br)c(C=C=C)c1O
-101	mol	BrC1OCC(Br)C1C=C
-102	mol	BrC1OCC(Br)C1C=C=C
-103	mol	BrC1OCC(Br)C1Cl
-104	mol	Brc1occc1
-105	mol	Brc1occc1C=C
-106	mol	Brc1occc1C=C=C
-107	mol	BrC1(OCCC1C=C=C)C=C=C
-108	mol	BrC1(OCCC1C=C=C)N(=O)=O
-109	mol	BrC1OC(CC1)C#N
-110	mol	BrC1OC=CC1(C)[SiH3]
-111	mol	BrC1OC=CC1N(=O)=O
-112	mol	BrC1OC=C(C1N(=O)=O)C(O)=O
-113	mol	BrC1OCC(C1O)C#N
-114	mol	BrC1OC=CC1[SiH3]
-115	mol	Brc1occ(C=C)c1C=C
-116	mol	Brc1oc(C=C=C)cc1
-117	mol	Brc1occ(C=C=C)c1Br
-118	mol	Brc1occ(C=C=C)c1C=C
-119	mol	Brc1occ(C=C=C)c1O
-120	mol	Brc1oc(C=O)cc1
-121	mol	BrC1OC(OC#N)=CC1
-122	mol	Brc1oc([SiH3])c(c1Cl)N(=O)=O
-123	mol	BrC2(Br)OCCC2C1C=COC1
-124	mol	BrC2(C1CCCCC1)CC=CO2
-125	mol	Brc2c1ccccc1oc2
-126	mol	Brc2c1ccoc1c(Br)cc2
-127	mol	Brc2c1ccoc1ccc2
-128	mol	Brc2c1occc1ccc2
-129	mol	Brc2cc1cc(C=C)oc1cc2
-130	mol	Brc2cc1cc(C=O)oc1cc2
-131	mol	Brc2cc1ccoc1cc2
-132	mol	Brc2cc1ccoc1c(C)c2
-133	mol	Brc2cc1ccoc1c([SiH3])c2F
-134	mol	Brc2cc1occc1cc2
-135	mol	Brc2cc(c1ccccc1)oc2
-136	mol	Brc2cc(C1CCCCC1)oc2
-137	mol	Brc2cc(c1ccccn1)co2
-138	mol	Brc2cc(C1=CCCO1)oc2
-139	mol	Brc2ccc1ccoc1c2Br
-140	mol	Brc2ccc1ccoc1c2C#N
-141	mol	Brc2ccccc2C1CC=CO1
-142	mol	Brc2ccccc2c1cocc1
-143	mol	Brc2cc(ccc2)c1cocc1
-144	mol	Brc2ccc(cc2)c1cocc1
-145	mol	BrC2(CC=CO2)c1ccccc1
-146	mol	BrC2(CCCO2)c1cocc1
-147	mol	BrC2CC(=CO2)c1occc1
-148	mol	BrC2C=COC2C1CCCCC1
-149	mol	Brc2ccoc2c1ccccn1
-150	mol	Brc2ccoc2C1CC=CO1
-151	mol	BrC2C=COC2C1CC=CO1
-152	mol	BrC2C=COC2c1cocc1
-153	mol	Brc2cc(occ1C)c1cc2
-154	mol	Brc2coc(Br)c2C1CCCO1
-155	mol	Brc2cocc2C1CCCCC1
-156	mol	BrC2COC=C2C1CCCCC1
-157	mol	BrC2=COCC2C1CCCO1
-158	mol	BrC2C([SiH3])=COC2c1cocc1
-159	mol	Brc2oc1ccccc1c2
-160	mol	Brc2oc(c1ccccc1)cc2
-161	mol	Brc2oc(C1CCCCC1)cc2
-162	mol	Brc2oc(C1CCOC1)cc2
-163	mol	Brc2occ(c1occc1)c2F
-164	mol	Brc2occc2c1ccccc1
-165	mol	BrC2OC=CC2C1CCCCC1
-166	mol	Brc2occc2C1CC=CO1
-167	mol	Brc2occc2C1CCNCC1
-168	mol	BrC2OCCC2C1C=COC1
-169	mol	BrC2OC(=CC2)c1cocc1
-170	mol	BrC2OC=C([SiH3])C2C1CCCO1
-171	mol	BrCBr
-172	mol	BrC(Br)C=C
-173	mol	BrC(Br)=CC1CCCCC1
-174	mol	BrC(Br)=C(C1CCCO1)C=O
-175	mol	BrC=C
-176	mol	BrC#C
-177	mol	BrCc1ccccc1
-178	mol	BrCC1CCCCC1
-179	mol	BrC(C1CCCCC1)=C
-180	mol	BrC(c1ccccc1)=C=C
-181	mol	BrC(C1CCCCC1)=C=C
-182	mol	BrCC1CCCCN1
-183	mol	BrC(C1CCCCN1)=C
-184	mol	BrCC1CCCNC1
-185	mol	BrC(C1CCCNC1)=C
-186	mol	BrC(C1CCCNC1)OC=O
-187	mol	BrC(C1CC=CO1)=C
-188	mol	BrC(C1(CC=CO1)C=C)=O
-189	mol	BrC(C1CC=CO1)(C=O)N(=O)=O
-190	mol	BrCC1CCNCC1
-191	mol	BrC(C1CCNCC1)=C=C
-192	mol	BrC(C1CCOC1)=CC=C
-193	mol	BrCc1cocc1
-194	mol	BrC(c1occc1)=C(F)C=C=C
-195	mol	BrCCBr
-196	mol	BrC=C(Br)C1CCCCC1
-197	mol	BrC=C(Br)C=C=C
-198	mol	BrC=C(Br)C(O)=O
-199	mol	BrC=C=C
-200	mol	BrCC=C
-201	mol	BrCC#C
-202	mol	Brc(cc1)ccc1C#N
-203	mol	BrC=Cc1ccccc1
-204	mol	BrC=CC1CCCCC1
-205	mol	BrC(=CC1CCCCC1)C#C
-206	mol	BrC=C(c1ccccc1)C=C=C
-207	mol	BrC=C(C1CCCCC1)C=C=C
-208	mol	BrC(=Cc1ccccn1)C=C=C
-209	mol	BrCC(C1CCCCN1)=O
-210	mol	BrC(=Cc1cccnc1)C#C
-211	mol	BrC=CC1CC=CO1
-212	mol	BrC#CC1CC=CO1
-213	mol	BrC=Cc1ccncc1
-214	mol	BrC(=Cc1ccncc1)C=C=C
-215	mol	BrC(=Cc1ccncc1)N(=O)=O
-216	mol	BrC#Cc1ccoc1N(=O)=O
-217	mol	BrC#Cc1ccoc1OC=O
-218	mol	BrC#Cc1cocc1
-219	mol	BrC=C(C1=COCC1)C=C=C
-220	mol	BrC=C(c1occc1)C#CC=C
-221	mol	Brc(cc1O)oc1C=O
-222	mol	BrC(CC1O)OC1(F)C=O
-223	mol	Brc(cc2Br)oc2c1occc1
-224	mol	BrC#Cc2cc1ccoc1cc2
-225	mol	BrC=Cc2cc1occc1cc2
-226	mol	Brc(cc2C)cc1c2occ1C
-227	mol	Brc(cc2)ccc2C1CC=CO1
-228	mol	BrC(CC2)OC2(F)C1CC=CO1
-229	mol	BrC(CC2)OC2(F)C1=COCC1
-230	mol	Brc(cc2[SiH3])cc1c2occ1C
-231	mol	BrC=C=CBr
-232	mol	BrC=C=C(Br)C1C=COC1
-233	mol	BrCC(C)(Br)C=C
-234	mol	BrCC(C)(Br)Cc1cocc1
-235	mol	BrC=CC=C
-236	mol	BrC=CC#C
-237	mol	BrC#CC=C
-238	mol	BrCC=C=C
-239	mol	BrCC(C)C
-240	mol	BrCc(cc1)ccc1O
-241	mol	Brc(ccc1C#C)cc1Cl
-242	mol	BrCCCc1ccccc1
-243	mol	BrC=C=Cc1ccccc1
-244	mol	BrC=C(C)c1ccccc1
-245	mol	BrC=C=CC1CCCCC1
-246	mol	BrCC(C)C1CCCCC1
-247	mol	BrC=C=Cc1ccccn1
-248	mol	BrC=C=Cc1cccnc1
-249	mol	BrC=C=CC1CCCO1
-250	mol	BrC=C=C(C1CC=CO1)C=C
-251	mol	BrC=C=C(C1CCCO1)N(=O)=O
-252	mol	BrC=C=Cc1ccncc1
-253	mol	BrC=C=CC1CCNCC1
-254	mol	BrCCCC1CCOC1
-255	mol	BrC=C=CC1C=COC1
-256	mol	BrC=C=C(C1C=COC1)C=C
-257	mol	BrC=C=C(C1C=COC1)C=C=C
-258	mol	Brc(ccc1C#N)cc1C=C=C
-259	mol	Brc(ccc1C#N)cc1F
-260	mol	Brc(ccc1C#N)cc1N(=O)=O
-261	mol	BrC=C=C(C1=COCC1)N(=O)=O
-262	mol	BrCC(C)CBr
-263	mol	BrCC(C)(CBr)c1cocc1
-264	mol	BrCC(C)C(Br)C#C
-265	mol	BrCC(C)C(Br)C(O)=O
-266	mol	BrC=C=CC=C
-267	mol	BrC=CC=C=C
-268	mol	BrC(=C=C)C=C
-269	mol	BrC(=C)C=C=C
-270	mol	BrC(C#C)=C=C
-271	mol	BrC#CC=C=C
-272	mol	BrCCC(C)C
-273	mol	BrCCCC=C
-274	mol	BrCC(C)Cc1ccccc1
-275	mol	BrCC(C)CC1CCCCC1
-276	mol	BrC=C=CC=C=C
-277	mol	BrC=CC#CC=C
-278	mol	BrC=CC#CC#C
-279	mol	BrC(=C=C)C=C=C
-280	mol	BrC#CC=CC=C
-281	mol	BrC#CC#CC=C
-282	mol	BrCC(C)CC=C
-283	mol	BrCC(C)CC#C
-284	mol	BrC#CC=C=Cc1ccccc1
-285	mol	BrC(C=C)=C=Cc1occc1
-286	mol	BrC(C=C)=CC=C=C
-287	mol	BrC(C#C)=CC=C=C
-288	mol	BrCCC(C)C=C=C
-289	mol	BrCCCCC(C)C
-290	mol	BrC=C(C=C=C)C=C=C
-291	mol	BrC=C(C=C)C#CC=C
-292	mol	BrC=CC#CC#CC=C
-293	mol	BrC(=C)C#CC#CC=C
-294	mol	BrC(=CC=C)C#CC=C
-295	mol	BrC(C=C=C)=C=CC=C
-296	mol	BrC(C=C=C)=CC=C=C
-297	mol	BrC=C=C(C=C=C)C=C=C
-298	mol	BrC(C=C=C)=C=CC=C=C
-299	mol	BrC(C=C)=C(C=C)C=C=C
-300	mol	BrCC(C)C(C#C)C(O)=O
-301	mol	BrC=C=CC#CC#N
-302	mol	BrC(C#C)=C=C(C#N)C=O
-303	mol	BrC=C=C(C=C=C)N(=O)=O
-304	mol	BrC(C=C=C)=C=CN(=O)=O
-305	mol	BrCC(C)C(Cl)Br
-306	mol	BrCC(C)C(Cl)OC=O
-307	mol	BrC(C=C)=C=CN
-308	mol	BrC=C=C(C=C)N(=O)=O
-309	mol	BrC(C#C)=C=C(N(=O)=O)N(=O)=O
-310	mol	BrC(CCCC=O)C#N
-311	mol	BrCC(C)CC(O)=O
-312	mol	BrC(C#C)=C(F)C#CC=C
-313	mol	BrC=C=C(Cl)Br
-314	mol	BrC=C=C(Cl)C=C=C
-315	mol	BrCCC(Cl)(CC)C#C
-316	mol	BrCCC(Cl)(C(C)C)C#C
-317	mol	BrCCC(Cl)(C(C)(C)C)C#C
-318	mol	BrC=C=CC#N
-319	mol	BrC=CC#CN
-320	mol	BrC#CC#CN
-321	mol	BrC(CC(C#N)C#N)C=C=C
-322	mol	BrC=CC#CN(=O)=O
-323	mol	BrC=C=CC=O
-324	mol	BrC(=C=C)C=O
-325	mol	BrC#Cc(co1)cc1N
-326	mol	BrCC(C)COC=O
-327	mol	BrC=C=CC(O)=O
-328	mol	BrCCCC(O)=O
-329	mol	BrC=C=C(F)Br
-330	mol	BrC#CC(F)=CC=C
-331	mol	BrC=C=C(F)N
-332	mol	BrC=C(Cl)C=C=C
-333	mol	BrC=CC#N
-334	mol	BrC(=C)C#N
-335	mol	BrC=C(C#N)C#C
-336	mol	BrC=C=CN(=O)=O
-337	mol	BrC(=C=C)N(=O)=O
-338	mol	BrC(C#C)N(=O)=O
-339	mol	BrCCCN(=O)=O
-340	mol	BrC=C=C(N(=O)=O)N(=O)=O
-341	mol	BrC(=C=CN(=O)=O)N(=O)=O
-342	mol	BrC=CC=O
-343	mol	BrC=C=C(O)C=C
-344	mol	BrC(CC=O)(C=C)c1cocc1
-345	mol	BrC(CC=O)NN
-346	mol	BrC=C=C([SiH3])C1CCCCC1
-347	mol	BrC=C=C([SiH3])C1CC=CO1
-348	mol	BrC=C=C([SiH3])C1C=COC1
-349	mol	BrC=C=C([SiH3])C=C=C
-350	mol	BrCC(F)C
-351	mol	BrC=C(F)C=C=C
-352	mol	BrC=C(F)C(F)=C=C
-353	mol	BrC=CN
-354	mol	BrC(=C)N
-355	mol	BrCC#N
-356	mol	BrCC(N)C1CCCCCCC1
-357	mol	BrCC(N)(C)C(Br)C#C
-358	mol	BrCC(N)C(Cl)(C(C)C)C#C
-359	mol	BrC(C#N)=C(N(=O)=O)N(=O)=O
-360	mol	BrCCNC=O
-361	mol	BrC#CN(F)N
-362	mol	BrC#CN(F)NC(O)=O
-363	mol	BrC=CN(=O)=O
-364	mol	BrC(=C)N(=O)=O
-365	mol	BrC=C(N(=O)=O)N(=O)=O
-366	mol	BrC(C=O)=C(C1CCCO1)C#N
-367	mol	BrC(C=O)=C(C1CCCO1)C=O
-368	mol	BrC(C=O)=C=C([SiH3])C=C=C
-369	mol	BrC#N
-370	mol	Brc(ncc1C=C=C)cc1N
-371	mol	BrC(N)=C=C(C=O)N(=O)=O
-372	mol	BrC(N)=C=CN(=O)=O
-373	mol	BrC(N)=C=C(N(=O)=O)N(=O)=O
-374	mol	BrC(N(=O)=O)=C(C=C=C)C=C=C
-375	mol	BrC=O
-376	mol	BrC(OC1)=CC1C=C=C
-377	mol	BrC(OC1CC=CO1)=O
-378	mol	BrC(Oc1cocc1)=O
-379	mol	Brc(oc1C=O)c(C=C=C)c1O
-380	mol	BrC(=O)C#C
-381	mol	BrC(OCC1(Br)C=O)C1C=C=C
-382	mol	BrC(=O)C#CC=C
-383	mol	BrC(=O)C#CC=CC=C
-384	mol	BrC(=O)C#CC(=C)C=C
-385	mol	BrC(=O)ON(=O)=O
-386	mol	BrN1CCCCC1
-387	mol	BrN2CC(CCC2)C1CC=CO1
-388	mol	BrN(c1ccccn1)C#C
-389	mol	BrNc1cccnc1
-390	mol	BrN(C1CC=CO1)C(O)=O
-391	mol	BrNc1cocc1
-392	mol	BrNC=C=C
-393	mol	BrNC(N)C
-394	mol	BrNC(N)CC=O
-395	mol	BrNC=O
-396	mol	BrNC(O)=O
-397	mol	BrNN(=O)=O
-398	mol	BrN(N(=O)=O)N(=O)=O
-399	mol	BrN(=O)=O
-400	mol	BrOBr
-401	mol	BrOc1ccccc1O
-402	mol	BrOc1cocc1
-403	mol	BrOC=C
-404	mol	BrOC=C=C
-405	mol	BrOC(CCCN(=O)=O)=O
-406	mol	BrOC(Cl)=O
-407	mol	BrOC(F)=O
-408	mol	BrOC#N
-409	mol	BrOC=O
-410	mol	BrOC(=O)c1cocc1
-411	mol	BrOC(=O)C=C=C
-412	mol	BrOC(=O)C(C)(C)N(=O)=O
-413	mol	BrOC(=O)C#N
-414	mol	BrOC(O)=O
-415	mol	Br[Si](Br)(C#N)N(=O)=O
-416	mol	Br[Si](C1CC=CO1)(C#N)C=O
-417	mol	Br[Si](C1CCCO1)(C=O)C=C
-418	mol	Br[Si](C1CC=CO1)(C=O)N(=O)=O
-419	mol	Br[Si](C#N)(C=C)N(=O)=O
-420	mol	Br[Si](C#N)(C=O)c1cocc1
-421	mol	Br[Si](C#N)(C=O)N(=O)=O
-422	mol	Br[Si](C=O)(c1cocc1)N(=O)=O
-423	mol	Br[Si](C=O)(C1=COCC1)N(=O)=O
-424	mol	Br[Si](C=O)(C=C=C)N(=O)=O
-425	mol	Br[SiH2]Br
-426	mol	Br[SiH2]c1ccccc1
-427	mol	Br[SiH2]C1CC=CO1
-428	mol	Br[SiH2]C1C=COC1
-429	mol	Br[SiH2]c1cocc1
-430	mol	Br[SiH2]c1occc1
-431	mol	Br[SiH2]c1oc([SiH3])c(C=C=C)c1Br
-432	mol	Br[SiH2]c2c1ccoc1ccc2
-433	mol	Br[SiH2]C=C
-434	mol	Br[SiH2]C#C
-435	mol	Br[SiH2]C=C=C
-436	mol	Br[SiH2]C(C)CC=C=C
-437	mol	Br[SiH2]C#N
-438	mol	Br[SiH2]C=O
-439	mol	Br[SiH2]C(O)=O
-440	mol	Br[SiH2]N(=O)=O
-441	mol	Br[SiH](C1CC=CO1)C#N
-442	mol	Br[SiH](C1CC=CO1)C=O
-443	mol	Br[SiH](c1cocc1)N(=O)=O
-444	mol	Br[SiH](C=C=C)c1cocc1
-445	mol	Br[SiH](C#N)N(=O)=O
-446	mol	Br[SiH](C=O)c1ccccc1
-447	mol	Br[SiH](C=O)c1ccncc1
-448	mol	Br[SiH](C=O)c1cocc1
-449	mol	Br[SiH](C=O)c1occc1
-450	mol	Br[SiH](C=O)N(=O)=O
-451	mol	Br[SiH](C(O)=O)c1cocc1
-452	mol	C
-453	mol	C1CC1
-454	mol	c1ccccc1
-455	mol	C1CCCCC1
-456	mol	C1CCCCCCC1
-457	mol	C1CC=CO1
-458	mol	c1cocc1
-459	mol	C1OC=CC1c2ccccc2
-460	mol	C1OC=CC1c2ccccn2
-461	mol	C1OC=CC1C2CC=CO2
-462	mol	C1OC=CC1C2C=COC2
-463	mol	C1OC=CC1c2cocc2
-464	mol	C1OC=CC1c2occc2
-465	mol	C1OC=CC1Cc2ccccc2
-466	mol	C1OC=CC1C=CC2C=COC2
-467	mol	C1OC=CC1C#Cc2cocc2
-468	mol	C1OC=CC1C=Cc2occc2
-469	mol	C1OC=CC1Nc2cocc2
-470	mol	c2cc1ccoc1cc2
-471	mol	C2OC=CC2C1CC=CO1
-472	mol	C2OC=CC2c1cocc1
-473	mol	C2OC=CC2c1occc1
-474	mol	C2OC=CC2C#CC1CC=CO1
-475	mol	C2OC=CC2C=Cc1cocc1
-476	mol	C2OC=CC2C#Cc1cocc1
-477	mol	C2OC=CC2C=Cc1occc1
-478	mol	C2OC=CC2C#Cc1occc1
-479	mol	CBr
-480	mol	CC
-481	mol	C=C
-482	mol	C#C
-483	mol	CC1(Br)CCCO1
-484	mol	Cc1cc(Br)ccc1
-485	mol	CC1CC(Br)CCC1
-486	mol	CC1CC(Br)CC([SiH3])C1
-487	mol	Cc1cc(Br)co1
-488	mol	CC1CC(Br)=CO1
-489	mol	CC1=CC(CC1)=O
-490	mol	CC1=CCCC1=O
-491	mol	Cc1cccc2c1occ2[SiH3]
-492	mol	CC1CC(CC(Br)C1)N(=O)=O
-493	mol	Cc1ccccc1
-494	mol	CC1CCCCC1
-495	mol	Cc1ccccc1Br
-496	mol	Cc1ccccc1C
-497	mol	CC1CCCCC1C
-498	mol	Cc1ccccc1C=C
-499	mol	Cc1ccccc1C#C
-500	mol	CC1CCC(CC1)C=C
-501	mol	CC1CCCCC1C=C
-502	mol	CC1CCCCC1C#C
-503	mol	Cc1cc(ccc1)C=C=C
-504	mol	Cc1ccccc1C=C=C
-505	mol	CC1CCCC(C1C#C)C#C
-506	mol	CC1CCCCC1C(C)(C)C
-507	mol	Cc1ccc(cc1)c(ccc2)cc2O
-508	mol	CC1CC(CCC1C=C)C(O)=O
-509	mol	Cc1cc(ccc1C#C)N(=O)=O
-510	mol	CC1CCC(CC1C)C=O
-511	mol	CC1CCCC(C1C)C=O
-512	mol	CC1CCCCC1C(C)=O
-513	mol	Cc1ccccc1Cl
-514	mol	Cc1cccc(c1C)N(=O)=O
-515	mol	Cc1ccccc1C=O
-516	mol	CC1CC(CCC1)C=O
-517	mol	CC1CCC(CC1)C=O
-518	mol	CC1CCCCC1C=O
-519	mol	CC1C(CCCC1C=O)C(CC)=O
-520	mol	Cc1cc(ccc1)C(=O)C=O
-521	mol	Cc1ccc(cc1)C(=O)C=O
-522	mol	Cc1ccccc1C(=O)C=O
-523	mol	CC1CC(CC(C1)C=O)C=O
-524	mol	CC1CC(CCC1)C(=O)C=O
-525	mol	CC1CCCC(C1C=O)C=O
-526	mol	CC1CCCCC1C(=O)C=O
-527	mol	Cc1cc(ccc1)C(=O)C(O)=O
-528	mol	Cc1ccc(cc1)C(=O)C(O)=O
-529	mol	Cc1ccccc1C(=O)C(O)=O
-530	mol	CC1C(CCCC1C=O)C(O)=O
-531	mol	CC1CC(CCC1)C(=O)C(O)=O
-532	mol	CC1CCC(CC1C=O)C(O)=O
-533	mol	Cc1cc(ccc1)C(=O)N
-534	mol	CC1CCCCC1C(=O)N
-535	mol	CC1CC(CCC1)C(O)=O
-536	mol	CC1CCC(CC1)C(O)=O
-537	mol	CC1CCCCC1C(O)=O
-538	mol	CC1CC(CCC1)NC=O
-539	mol	Cc1cc(ccc1)N(=O)=O
-540	mol	CC1CCCC(C1O)C=C
-541	mol	CC1CCC(CC1)OC=O
-542	mol	CC1CCCC(C1O)C=O
-543	mol	CC1CCCCC1OC=O
-544	mol	CC1CCC(CC1)OC(O)=O
-545	mol	CC1CCCC(C1O)C(O)=O
-546	mol	CC1CCCCC1ONC=O
-547	mol	CC1CCCCC1[SiH3]
-548	mol	Cc1ccc(C)cc1
-549	mol	Cc1cc(C)ccc1
-550	mol	CC1CC(C)CCC1
-551	mol	CC1CCC(C)CC1
-552	mol	Cc1cccc(C)c1C=C
-553	mol	Cc1cccc(C)c1C=O
-554	mol	CC1CC(CC(C)C1)C=O
-555	mol	CC1CCCC(C)C1C=O
-556	mol	Cc1cccc(C)c1O
-557	mol	Cc1ccc(C=C)cc1
-558	mol	Cc1ccc(C#C)cc1
-559	mol	Cc1cc(C)cc(C)c1
-560	mol	Cc1cc(C=C)ccc1
-561	mol	Cc1cc(C#C)ccc1
-562	mol	CC1CCCCCCC1
-563	mol	Cc1cccc(C#C)c1C
-564	mol	Cc1cccc(C#C)c1C#C
-565	mol	Cc1c(C=C)cccc1C=C
-566	mol	CC1CCC(CCCC1C(O)=O)C(O)=O
-567	mol	Cc1ccc(C=C)cc1F
-568	mol	Cc1ccc(C=C)cc1O
-569	mol	CC1CCC(C(C)C)CC1
-570	mol	Cc1ccc(C)c(C=C)c1O
-571	mol	Cc1ccc(C=C)c(C=C)c1O
-572	mol	Cc1cc(C)c(C)c(C=C)c1O
-573	mol	Cc1cc(C)c(C=C)c(O)c1C
-574	mol	Cc1ccc(C)c(C=O)c1C
-575	mol	Cc1ccc(C)c(C=O)c1O
-576	mol	Cc1ccc(C=C)c(O)c1O
-577	mol	Cc1cccc(Cl)c1C#C
-578	mol	Cc1cc(C=C)co1
-579	mol	Cc1cc(C#C)co1
-580	mol	Cc1cccc(C=O)c1C
-581	mol	Cc1cccc(C=O)c1C=O
-582	mol	Cc1cccc(C=O)c1O
-583	mol	Cc1ccc(C)c(O)c1O
-584	mol	Cc1cc(C)c(C=O)cc1C=O
-585	mol	Cc1cc(C)c(C=O)cc1O
-586	mol	Cc1cc(C=C)c(O)c(O)c1F
-587	mol	Cc1c(C#C)c(C=O)oc1C=O
-588	mol	Cc1ccc(Cl)cc1
-589	mol	Cc1ccccn1
-590	mol	CC1CCCCN1
-591	mol	Cc1ccc(C#N)cc1C=C=C
-592	mol	Cc1ccc(C#N)cc1C=O
-593	mol	CC1(C)CC=CO1
-594	mol	CC1CC(C)=CO1
-595	mol	Cc1cc(C=C)oc1
-596	mol	Cc1cc(C#C)oc1
-597	mol	CC1(C=C)C=COC1
-598	mol	CC1(C#C)C=COC1(C#C)C#C
-599	mol	Cc1cc(C=C)oc1C=O
-600	mol	Cc1cc(C=C)oc1O
-601	mol	CC1CCC(C(O)C1O)C=C
-602	mol	Cc1ccc(C=O)cc1
-603	mol	Cc1ccc(C=O)cc1C
-604	mol	Cc1ccc(C=O)cc1C=O
-605	mol	Cc1ccc(C=O)cc1O
-606	mol	Cc1ccc(C=O)c(C)c1C
-607	mol	Cc1ccc(C=O)c(C)c1C=O
-608	mol	Cc1ccc(C=O)c(C)c1O
-609	mol	Cc1ccc(C=O)c(O)c1C
-610	mol	Cc1ccc(C=O)c(O)c1O
-611	mol	Cc1cc(C)c(O)c([SiH3])c1F
-612	mol	Cc1cc(Cl)ccc1
-613	mol	CC1CC(Cl)CCC1
-614	mol	Cc1cc(Cl)oc1
-615	mol	Cc1cccnc1
-616	mol	CC1CCCNC1
-617	mol	Cc1ccc(N)c(C=C)c1C
-618	mol	CC1CCCO1
-619	mol	CC1=CCCO1
-620	mol	CC1CC=CO1
-621	mol	C(C1CC=CO1)C2C=COC2
-622	mol	CC1(CC=CO1)C=C
-623	mol	CC1(CC=CO1)C#C
-624	mol	CC1(CCCO1)C=C
-625	mol	CC1(CCCO1)C#C
-626	mol	CC1CC(=CO1)C=C
-627	mol	CC1CC(CO1)C=C
-628	mol	C(C1CC=CO1)CC2=CCCO2
-629	mol	CC1(CCCO1)CC=C
-630	mol	CC1(CCCO1)C(C#C)=CC#C
-631	mol	CC1(CC=CO1)C=O
-632	mol	CC1(CCCO1)C=O
-633	mol	CC1CC(=CO1)C=O
-634	mol	CC1(CC=CO1)C(O)=O
-635	mol	CC1(CCCO1)C(O)=O
-636	mol	CC1CC(=CO1)C(O)=O
-637	mol	CC1CC(CO1)C(O)=O
-638	mol	CC1(CCCO1)OC=O
-639	mol	Cc1cc(C)oc1
-640	mol	CC1(C)C=COC1
-641	mol	CC1C=C(C)OC1
-642	mol	CC1(C)C=COC1C=C
-643	mol	Cc1c(C=C)occ1C=C
-644	mol	Cc1cc(C=O)ccc1
-645	mol	Cc1cc(C=O)ccc1C=O
-646	mol	Cc1cc(C=O)cc(C)c1
-647	mol	Cc1ccc(O)c(C=C)c1C
-648	mol	Cc1cc(C=O)cc(C)c1C
-649	mol	Cc1ccc(O)c(C=C)c1C=O
-650	mol	Cc1cc(C=O)cc(C=O)c1
-651	mol	Cc1cc(C=O)co1
-652	mol	Cc1cc(C=O)c(O)c(C)c1C
-653	mol	Cc1cc(C=O)c(O)c(O)c1O
-654	mol	Cc1cc(C=O)oc1
-655	mol	Cc1cc(C=O)oc1C=C
-656	mol	Cc1ccc([SiH3])cc1
-657	mol	Cc1ccncc1
-658	mol	CC1CCNCC1
-659	mol	CC1CC(N)=CO1
-660	mol	CC1CCOC1
-661	mol	CC1C=COC1
-662	mol	Cc1ccoc1C
-663	mol	Cc1ccoc1C=C
-664	mol	Cc1ccoc1C#C
-665	mol	CC1C=C(OC1)C#C
-666	mol	CC1C=COC1C=C
-667	mol	CC1C=COC1C#C
-668	mol	CC1CC(OC1)C=C
-669	mol	CC1CCOC1C=C
-670	mol	CC1CCOC1Cl
-671	mol	CC1CCOC1(Cl)OC=O
-672	mol	Cc1ccoc1C=O
-673	mol	CC1(CCOC1)C=O
-674	mol	CC1C=COC1C=O
-675	mol	CC1CCOC1C=O
-676	mol	CC1(CCOC1)C(O)=O
-677	mol	CC1C=C(OC1)C(O)=O
-678	mol	CC1C=COC1C(O)=O
-679	mol	CC1CC(OC1)C(O)=O
-680	mol	Cc1ccoc1O
-681	mol	CC1C=COC1(O)C=C
-682	mol	CC1CCOC1(O)C=C
-683	mol	CC1C=COC1(O)C=O
-684	mol	CC1C=COC1OC=O
-685	mol	CC1CCOC1(O)OC=O
-686	mol	CC1CCOC1([SiH3])Br
-687	mol	CC1CC(=O)C=C1C
-688	mol	Cc1c(C=O)cccc1C=O
-689	mol	Cc1cc(O)c(C=C)cc1O
-690	mol	Cc1cc(O)c(C=O)cc1C
-691	mol	CC1CC(O)=CO1
-692	mol	Cc1cc(O)oc1
-693	mol	Cc1c(C=O)occ1C#C
-694	mol	Cc1c(C=O)oc(C=O)c1C
-695	mol	CC1CC([SiH3])CCC1
-696	mol	CC1CC([SiH3])=CO1
-697	mol	CC1(CC([SiH3])=CO1)C=C=C
-698	mol	CC1(Cl)COC=C1C
-699	mol	CC1(Cl)COC(O)=C1C
-700	mol	CC1(Cl)OCC(C1Cl)C#C
-701	mol	CC1(Cl)OC(C)=CC1C
-702	mol	CC1(Cl)OCC(C#C)C1C=C=C
-703	mol	CC1(Cl)OC=C(Cl)C1(Cl)C#C
-704	mol	Cc1cnccc1C=C
-705	mol	CC1(C#N)C=COC1
-706	mol	Cc1coc2c1cccc2
-707	mol	Cc1cocc1
-708	mol	CC1=COCC1
-709	mol	Cc1cocc1C
-710	mol	CC1COC=C1C
-711	mol	C(c1cocc1)c2occc2
-712	mol	Cc1cocc1C=C
-713	mol	Cc1cocc1C#C
-714	mol	CC1=COCC1C=C
-715	mol	CC1COC=C1C=C
-716	mol	CC1(COC=C1C)C#C
-717	mol	CC1(COC=C1C)C(O)=O
-718	mol	CC1COC=C1Cl
-719	mol	Cc1cocc1C=O
-720	mol	CC1COCC1(O)C=C
-721	mol	CC1COC(C1O)OC=O
-722	mol	CC1(C)OC=C(Br)C1(Cl)C#C
-723	mol	Cc1coc(C)c1C
-724	mol	Cc1coc(C)c1C=C
-725	mol	CC1(C)OC=CC1C=O
-726	mol	Cc1coc(C)c1O
-727	mol	Cc1coc(C#C)c1C
-728	mol	CC1(C)OC=C(C)C1Cl
-729	mol	CC1(C)OC=C(C)C1(Cl)Br
-730	mol	Cc1coc(C=C)c1C=O
-731	mol	Cc1coc(C=C)c1O
-732	mol	CC1(C)OC=C(Cl)C1Br
-733	mol	CC1(C)OC=C(Cl)C1(C)Br
-734	mol	CC1(C)OC=C(Cl)C1C#C
-735	mol	CC1(C)OC=C(Cl)C1(Cl)Br
-736	mol	CC1(C)OC=C(Cl)C1(Cl)C#C
-737	mol	Cc1coc(Cl)c1Br
-738	mol	Cc1coc(Cl)c1C=C=C
-739	mol	Cc1coc(C=O)c1C
-740	mol	Cc1coc(C=O)c1C=C
-741	mol	Cc1coc(C=O)c1O
-742	mol	Cc1coc(O)c1C
-743	mol	Cc1coc(O)c1C=C
-744	mol	Cc1coc(O)c1C=O
-745	mol	Cc1coc(O)c1O
-746	mol	CC1(C(O)=O)C=COC1
-747	mol	CC1(C(O)=O)OC(=CC1)C=C
-748	mol	Cc1nc(Br)ccc1
-749	mol	Cc1nccc(F)c1Cl
-750	mol	Cc1nccc(N)c1Br
-751	mol	Cc1nccc(N)c1C=C
-752	mol	Cc1occc1
-753	mol	Cc1occc1Br
-754	mol	CC1OC=CC1Br
-755	mol	CC1OC=CC1C
-756	mol	Cc1occc1C=C
-757	mol	Cc1occc1C#C
-758	mol	CC1OC=CC1(C)C
-759	mol	CC1OC=CC1C=C
-760	mol	CC1OC=CC1C#C
-761	mol	CC1OC(=CC1)C=C
-762	mol	CC1OC(CC1)C=C
-763	mol	Cc1occc1C=C=C
-764	mol	CC1(OC=CC1C=C)C#C
-765	mol	CC1(OC=CC1C#C)C#C
-766	mol	CC1(OCCC1C#C)C#C
-767	mol	CC1OC(CC1C=C)C=C
-768	mol	CC1(OCCC1(C)C#C)C#C
-769	mol	CC1OC(CC1)C#CC=O
-770	mol	Cc1occc1Cl
-771	mol	CC1OC(=CC1)C#N
-772	mol	Cc1occc1C=O
-773	mol	CC1OC=CC1C=O
-774	mol	CC1OCCC1C=O
-775	mol	CC1OC=CC1C(O)=O
-776	mol	CC1OC(CC1)C(O)=O
-777	mol	CC1OC=CC1O
-778	mol	CC1(OCCC1(O)C=C)C=C
-779	mol	CC1OC=CC1OC=O
-780	mol	CC1OC(CC1OC=O)C(O)=O
-781	mol	CC1(OCCC1OC=O)OC=O
-782	mol	Cc1oc(C)cc1
-783	mol	CC1OC=C(C)C1C#C
-784	mol	CC1OC(C)=CC1C=C
-785	mol	CC1OC=C(C)C1C=C=C
-786	mol	CC1OC=C(C)C1(C)Cl
-787	mol	CC1OC=C(C)C1(Cl)Br
-788	mol	Cc1oc(C=C)cc1
-789	mol	Cc1oc(C#C)cc1
-790	mol	Cc1oc(C=C)cc1C=C
-791	mol	Cc1oc(C#C)cc1C#C
-792	mol	CC1OC(CC)=CC1C#C
-793	mol	Cc1occ(C=C)c1C=O
-794	mol	Cc1oc(C)c(C=C)c1C=O
-795	mol	Cc1oc(C=C)c(C)c1O
-796	mol	Cc1oc(C=C=C)c(F)c1Br
-797	mol	CC1(OC#C)CC=CO1
-798	mol	Cc1oc(C=C)c(C=O)c1C
-799	mol	Cc1oc(C#C)c(O)c1C#C
-800	mol	Cc1occ(C=O)c1C=C
-801	mol	Cc1occ(C=O)c1O
-802	mol	Cc1oc(C)c(O)c1O
-803	mol	CC1OC=C(F)C1(Cl)Br
-804	mol	Cc1oc(C=O)cc1
-805	mol	Cc1oc(C=O)cc1C=C
-806	mol	Cc1oc(C=O)c(C)c1C=C
-807	mol	CC1OCC(OC=O)C1C(O)=O
-808	mol	CC1OC=C([SiH3])C1OC=O
-809	mol	CC1(OC=O)CC=CO1
-810	mol	CC1OC(OC=O)=CC1
-811	mol	CC1(OC=O)OC=CC1C
-812	mol	CC1(OC=O)OC=CC1C=O
-813	mol	CC1(OC=O)OC(=CC1)C(O)=O
-814	mol	CC1(OC=O)OC=CC1OC=O
-815	mol	CC1(OC=O)OC(OC=O)=CC1
-816	mol	Cc1oc([SiH3])cc1
-817	mol	CC1([SiH3])CC=CO1
-818	mol	CC1([SiH3])OC=C(Cl)C1(Cl)C#C
-819	mol	CC2(C1CCCCC1)C=COC2
-820	mol	Cc2c1ccoc1ccc2
-821	mol	CC2(C1CCOC1)CC=CO2
-822	mol	Cc2c1occc1ccc2
-823	mol	Cc2cc1ccoc1c(Br)c2
-824	mol	Cc2cc1ccoc1cc2
-825	mol	Cc2cc1ccoc1c(F)c2F
-826	mol	Cc2cc1occc1cc2
-827	mol	Cc2cc1occc1cc2Cl
-828	mol	Cc2cc1oc(C=C)cc1cc2
-829	mol	Cc2cc1oc(F)cc1cc2
-830	mol	Cc2cc(C1CCCCC1)ccc2
-831	mol	Cc2cc(C1CCCCC1)ccc2C=O
-832	mol	Cc2cc(C1CCCCC1)c(C=O)c(C)c2C
-833	mol	Cc2cc(C1CCCCC1)co2
-834	mol	Cc2cc(C1CCCCC1)oc2
-835	mol	Cc2cc(C1=CCCO1)ccc2
-836	mol	Cc2cc(C1=CCCO1)co2
-837	mol	Cc2cc(C1CCCO1)co2
-838	mol	Cc2cc(C1=CCCO1)oc2
-839	mol	Cc2cc(C1CC=CO1)oc2
-840	mol	Cc2cc(C1CCCO1)oc2
-841	mol	Cc2ccc1ccoc1c2Br
-842	mol	Cc2ccc1ccoc1c2Cl
-843	mol	Cc2ccc1ccoc1c2F
-844	mol	Cc2ccc1ccoc1c2[SiH3]
-845	mol	Cc2cc(C1CCOC1)ccc2
-846	mol	Cc2cc(C1C=COC1)co2
-847	mol	Cc2cc(C1CCOC1)co2
-848	mol	Cc2cc(C1C=COC1)oc2
-849	mol	Cc2cc(C1CCOC1)oc2
-850	mol	Cc2ccc(C1CCCCC1)cc2
-851	mol	Cc2cc(C(C1CCCCC1)=O)ccc2
-852	mol	Cc2ccc(C1C=COC1)cc2
-853	mol	Cc2ccc(C(C1CCCCC1)=O)cc2
-854	mol	Cc2ccc(cc2)c1ccccc1
-855	mol	Cc2ccccc2C1CCCCC1
-856	mol	CC2CCCCC2c1ccccc1
-857	mol	CC2CCCCC2C1CCCCC1
-858	mol	CC2CC(CCC2)C1CCCCC1
-859	mol	Cc2ccc(cc2)c1ccccc1C
-860	mol	Cc2ccc(cc2)c1ccccc1C=O
-861	mol	Cc2ccccc2C1CCCO1
-862	mol	Cc2ccccc2C1CC=CO1
-863	mol	CC2CC(CCC2)C1CC=CO1
-864	mol	CC2CCC(CC2)C1CC=CO1
-865	mol	Cc2ccccc2C1C=COC1
-866	mol	Cc2ccccc2c1cocc1
-867	mol	C(c2ccccc2)c1cocc1
-868	mol	Cc2cc(ccc2)c1cocc1
-869	mol	CC2CCCCC2c1cocc1
-870	mol	CC2CC(CCC2)c1cocc1
-871	mol	CC2CCC(CC2)C1=COCC1
-872	mol	Cc2cc(ccc2)c1occc1
-873	mol	CC2CC(CCC2)c1occc1
-874	mol	Cc2c(cccc2C=O)c1ccccc1
-875	mol	Cc2cc(ccc2C=O)c1ccccc1
-876	mol	CC2CCCCCCC2c1ccccc1
-877	mol	Cc2cc(co2)c1ccccc1
-878	mol	CC2(CCCO2)c1ccccc1
-879	mol	C(C2CC=CO2)C1CC=CO1
-880	mol	C(C2CC=CO2)C1C=COC1
-881	mol	Cc2cc(co2)c1cocc1
-882	mol	CC2(CC=CO2)c1cocc1
-883	mol	CC2(CCCO2)c1cocc1
-884	mol	CC2CC(CO2)c1cocc1
-885	mol	Cc2cc(co2)c1occc1
-886	mol	CC2(CC=CO2)c1occc1
-887	mol	CC2(CCCO2)c1occc1
-888	mol	Cc2cc(F)c1ccoc1c2Br
-889	mol	Cc2ccoc2c1ccccc1
-890	mol	Cc2cc(oc2)c1ccccc1
-891	mol	Cc2ccoc2C1CCCCC1
-892	mol	CC2C=COC2c1ccccc1
-893	mol	CC2CCOC2C1CCCCC1
-894	mol	Cc2ccoc2C1CCCO1
-895	mol	Cc2ccoc2C1=CCCO1
-896	mol	Cc2ccoc2C1CC=CO1
-897	mol	CC2C=COC2C1CCCO1
-898	mol	CC2C=COC2C1CC=CO1
-899	mol	CC2CC(OC2)C1=CCCO1
-900	mol	CC2CCOC2C1CC=CO1
-901	mol	Cc2ccoc2C1C=COC1
-902	mol	CC2C=COC2C1CCOC1
-903	mol	CC2C=COC2C1C=COC1
-904	mol	Cc2ccoc2c1cocc1
-905	mol	Cc2cc(oc2)c1cocc1
-906	mol	CC2CC(OC2)c1cocc1
-907	mol	CC2C=COC2C1=COCC1
-908	mol	Cc2ccoc2c1occc1
-909	mol	Cc2cc(oc2)c1occc1
-910	mol	CC2CCOC2(F)C1CC=CO1
-911	mol	CC2CCOC2([SiH3])C1CC=CO1
-912	mol	Cc2cc(occ1C=O)c1cc2
-913	mol	Cc2c(C=O)cccc2C1CCCCC1
-914	mol	Cc2coc(C1CCCO1)c2C
-915	mol	Cc2coc(C1=COCC1)c2C
-916	mol	Cc2cocc2c1ccccc1
-917	mol	Cc2cocc2C1CCCCC1
-918	mol	Cc2cocc2C1CCCO1
-919	mol	Cc2cocc2C1=CCCO1
-920	mol	Cc2cocc2C1CC=CO1
-921	mol	Cc2cocc2C1CCOC1
-922	mol	Cc2cocc2C1C=COC1
-923	mol	Cc2cocc2c1cocc1
-924	mol	C(c2cocc2)c1cocc1
-925	mol	CC2=COCC2c1cocc1
-926	mol	Cc2cocc2c1occc1
-927	mol	C(c2cocc2)c1occc1
-928	mol	CC2=COCC2c1occc1
-929	mol	Cc2cocc2[SiH2]C1CC=CO1
-930	mol	Cc2coc(C)c2c1cocc1
-931	mol	Cc2coc(O)c2c1cocc1
-932	mol	Cc2oc1ccccc1c2C
-933	mol	Cc2oc1ccccc1c2Cl
-934	mol	Cc2oc1ccccc1c2[SiH3]
-935	mol	Cc2oc(C1CCCCC1)cc2
-936	mol	Cc2oc(C1CCCO1)cc2
-937	mol	CC2OC(C1CCOC1)=CC2
-938	mol	Cc2occ(C1CC=CO1)c2O
-939	mol	Cc2occ(C1CCOC1)c2C
-940	mol	Cc2occ(c1cocc1)c2C
-941	mol	Cc2occ(c1cocc1)c2F
-942	mol	Cc2occ(c1cocc1)c2O
-943	mol	Cc2occc2c1ccccc1
-944	mol	Cc2oc(cc2)c1ccccc1
-945	mol	Cc2occc2C1CCCCC1
-946	mol	CC2OCCC2c1ccccc1
-947	mol	CC2OC=CC2c1ccccc1
-948	mol	CC2OC=CC2C1CCCCC1
-949	mol	Cc2occc2C1CCCO1
-950	mol	Cc2occc2C1=CCCO1
-951	mol	Cc2occc2C1CC=CO1
-952	mol	CC2OC=CC2C1CCCO1
-953	mol	Cc2occc2C1CCOC1
-954	mol	Cc2occc2c1cocc1
-955	mol	Cc2oc(cc2)c1cocc1
-956	mol	Cc2occc2c1occc1
-957	mol	C(c2occc2)c1occc1
-958	mol	Cc2oc(cc2)c1occc1
-959	mol	CC2OC(C)=CC2C1CCCO1
-960	mol	Cc3cc(C1CCCCC1)ccc3C2CCCCC2
-961	mol	Cc3c(cccc3C1CCCCC1)c2ccccc2C=O
-962	mol	CCBr
-963	mol	CC(Br)Br
-964	mol	CC(Br)(Br)Cc1cocc1
-965	mol	CC(Br)(Br)CCC=C=C
-966	mol	CC(Br)(Br)CC(C#C)C(O)=O
-967	mol	CC(Br)(Br)CC(C(O)=O)C=C=C
-968	mol	CC(Br)=C
-969	mol	CC(Br)c1cocc1
-970	mol	CC(Br)C=C
-971	mol	CC(Br)C#C
-972	mol	CC(Br)=Cc1ccccc1
-973	mol	CC(Br)Cc1ccccc1O
-974	mol	CC(Br)CC1CCNCC1
-975	mol	CC(Br)C(C)Br
-976	mol	CC(Br)(CC(Br)C=C=C)C(O)=O
-977	mol	CC(Br)C=C=C
-978	mol	CC(Br)(C=C)c1cocc1
-979	mol	CC(Br)CC=C=C
-980	mol	CC(Br)CCC#C
-981	mol	CC(Br)CC(C)c1cocc1
-982	mol	CC(Br)C(C)CC#C
-983	mol	CC(Br)CCC=C=C
-984	mol	CC(Br)(CC=C=C)C=C
-985	mol	CC(Br)=C(C=C=C)C=C=C
-986	mol	CC(Br)(CCC=C=C)C(O)=O
-987	mol	CC(Br)(CCC=C=C)N(=O)=O
-988	mol	CC(Br)C(CC=C=C)N(=O)=O
-989	mol	CC(Br)=C(C=C=C)C(=O)N(=O)=O
-990	mol	CC(Br)CC(C=O)c1cocc1
-991	mol	CC(Br)(C=C)N(=O)=O
-992	mol	CC(Br)C(C)N(=O)=O
-993	mol	CC(Br)C(CN(=O)=O)C=C=C
-994	mol	CC(Br)(CC=O)C1CC=CO1
-995	mol	CC(Br)=C(C=O)C=C=C
-996	mol	CC(Br)CC(O)CNC=O
-997	mol	CC(Br)CC(O)=O
-998	mol	CC(Br)C#N
-999	mol	CC(Br)CN(=O)=O
-1000	mol	CC(Br)(C=O)Cc1ccncc1
-1001	mol	CC(Br)(C=O)C(O)C=C=C
-1002	mol	CCC
-1003	mol	C=C=C
-1004	mol	CC=C
-1005	mol	CC#C
-1006	mol	CCc1cc(Br)c(CC)cc1O
-1007	mol	CCc1cc(Br)co1
-1008	mol	c(cc1)ccc1c2ccccc2
-1009	mol	C(CC1)CCC1c2ccccc2
-1010	mol	C(CC1)CCC1C2CCCCC2
-1011	mol	C(CC1)CCC1c2cccnc2
-1012	mol	C(CC1)CCC1C3CCCCC3c2ccccc2
-1013	mol	C(CC1)CCC1C4CCC(CC4c2ccccc2)c3ccccc3
-1014	mol	C(CC1)CCC1Cc2ccccc2
-1015	mol	C(CC1)CCC1CC2CCCCC2
-1016	mol	C(CC1)CCC1CCC2CCCCC2
-1017	mol	C(CC1)CCC1c(ccc3)cc3C2CCCCC2
-1018	mol	C(CC1)CCC1OC2CCCCC2
-1019	mol	CCc1ccc(Br)cc1
-1020	mol	CCC1CCC(Br)CC1
-1021	mol	CCC1CCC(Br)CC1C#C
-1022	mol	CCc1ccc(Br)cc1C=C=C
-1023	mol	C=Cc1cccc2c1occ2Cl
-1024	mol	C#Cc1cccc2c1occ2[SiH3]
-1025	mol	CCc1ccccc1
-1026	mol	C=Cc1ccccc1
-1027	mol	C#Cc1ccccc1
-1028	mol	CCC1CCCCC1
-1029	mol	C=CC1CCCCC1
-1030	mol	C#CC1CCCCC1
-1031	mol	CCC1CCCCC1Br
-1032	mol	CCc1ccccc1C
-1033	mol	CCC1CCCCC1C
-1034	mol	CC(C1CCCCC1)=C
-1035	mol	CCc1ccccc1CC
-1036	mol	C=Cc1ccccc1C=C
-1037	mol	C#Cc1ccccc1C=C
-1038	mol	C#Cc1ccccc1C#C
-1039	mol	CCc1ccccc1C=C
-1040	mol	CCc1ccccc1C#C
-1041	mol	CCC1CCCCC1CC
-1042	mol	C=CC1CC(CCC1)C=C
-1043	mol	C#CC1CCCCC1C=C
-1044	mol	C#CC1CCCCC1C#C
-1045	mol	CC(C1CCCCC1)C=C
-1046	mol	CC(C1CCCCC1)C#C
-1047	mol	CCC1CC(CCC1)C=C
-1048	mol	CCC1CCC(CC1)C=C
-1049	mol	CCC1CCC(CC1)C#C
-1050	mol	CCC1CCCCC1C=C
-1051	mol	CCC1CCCCC1C#C
-1052	mol	C=Cc1cc(ccc1)C=C=C
-1053	mol	C=Cc1ccccc1C=C=C
-1054	mol	C#Cc1cc(ccc1)C=C=C
-1055	mol	C#Cc1ccc(cc1)C=C=C
-1056	mol	C#Cc1ccccc1C=C=C
-1057	mol	CC(c1ccccc1)=CC=C
-1058	mol	CC(c1ccccc1)=CC#C
-1059	mol	CCc1cc(ccc1)C=C=C
-1060	mol	CCc1ccc(cc1)C=C=C
-1061	mol	CCc1ccccc1C=C=C
-1062	mol	CCc1ccccc1C(C)C
-1063	mol	C=CC1CCCCC1C=C=C
-1064	mol	C#CC1CC(CCC1)C=C=C
-1065	mol	CC(C1CCCCC1)=CC=C
-1066	mol	CC(C1CCCCC1)=CC#C
-1067	mol	CC(C1CCCCC1)CC#C
-1068	mol	CCC1CC(CCC1)C(C)C
-1069	mol	CCC1CCC(CC1)C=C=C
-1070	mol	CCC1CCCCC1C(C)C
-1071	mol	CCC1CCCCC1c(cc2)ccc2C
-1072	mol	C#Cc1ccccc1C#CC#C
-1073	mol	CC(c1ccccc1)=C(C)C#C
-1074	mol	CC(c1ccccc1)C#CC#C
-1075	mol	C=CC1CC(CCC1)C#CC#C
-1076	mol	C=CC1CCCCC1C#CC=C
-1077	mol	C#CC1CCCC(C1C#C)C=C
-1078	mol	CC(C1CCCCC1)CCC=C
-1079	mol	CCC1C(CCCC1C#C)C#C
-1080	mol	CCC1CCCC(C1C#C)C=C
-1081	mol	CCC1CCCC(C1C#C)C#C
-1082	mol	CCC1CCCCC1CC(C)C
-1083	mol	CCC1CC(CCC1C(C)C)C=O
-1084	mol	CCC1CCC(CC1C(C)C)C=O
-1085	mol	C#CC1CC(CCC1)C#CC=O
-1086	mol	C#CC1CCCCC1C(=C)C=O
-1087	mol	CC(C1CCCCC1)C(C)C=O
-1088	mol	CC(C1CCCCC1)CCC=O
-1089	mol	CCC1CC(CCC1)C(CC)=O
-1090	mol	CCC1CCCC(C1CC)C=O
-1091	mol	CCC1CCCCC1C(CC)=O
-1092	mol	CC(C1CCCCC1)CC=O
-1093	mol	CCC1C(CCCC1C)C=O
-1094	mol	CCC1CCC(CC1)C(C)=O
-1095	mol	CCC1CCCCC1C(C)=O
-1096	mol	CC(c1ccccc1)=CC(O)=O
-1097	mol	CC(C1CCCCC1)CC(O)=O
-1098	mol	CCC1CC(CCC1C)C(O)=O
-1099	mol	CCc1ccccc1Cl
-1100	mol	CCC1CCCCC1Cl
-1101	mol	CCC1CCC(CC1)C#N
-1102	mol	CC(c1ccccc1)=C(N)C=O
-1103	mol	C#Cc1ccccc1C=O
-1104	mol	CCc1ccccc1C=O
-1105	mol	C#CC1CC(CCC1)C=O
-1106	mol	C#CC1CCCCC1C=O
-1107	mol	CC(C1CCCCC1)C=O
-1108	mol	CCC1CC(CCC1)C=O
-1109	mol	CCC1CCC(CC1)C=O
-1110	mol	CCC1CCCCC1C=O
-1111	mol	C=Cc1cc(ccc1)C(=O)C=C
-1112	mol	CC(c1ccccc1)=C(O)C=C
-1113	mol	CC(C1CCCCC1)=C(O)C=C
-1114	mol	C=Cc1ccccc1C(=O)C=O
-1115	mol	C#Cc1ccccc1C(=O)C=O
-1116	mol	CC(c1ccccc1)=C(O)C=O
-1117	mol	CC(C1CCCCC1)(C=O)C=O
-1118	mol	CC(C1CCCCC1)C(O)C=O
-1119	mol	CC(C1CCCCC1)COC=O
-1120	mol	CCC1C(CCCC1C=O)C=O
-1121	mol	CCC1CC(CCC1)C(=O)C=O
-1122	mol	CCC1CCC(CC1)C(=O)C=O
-1123	mol	CCC1CCCC(C1C=O)C=O
-1124	mol	CCC1CCCCC1C(=O)C=O
-1125	mol	C=Cc1ccc(cc1)C(=O)N
-1126	mol	C=Cc1ccccc1C(=O)N
-1127	mol	CCc1ccc(cc1)C(=O)N
-1128	mol	CCc1ccccc1C(=O)N
-1129	mol	CC(C1CCCCC1)C(=O)N
-1130	mol	CCC1CCCCC1C(=O)N
-1131	mol	C=Cc1ccc(cc1)C(=O)NO
-1132	mol	C=Cc1ccccc1C(=O)NO
-1133	mol	CCc1ccccc1C(O)=O
-1134	mol	CC(C1CCCCC1)C(O)=O
-1135	mol	CCC1CC(CCC1)C(O)=O
-1136	mol	CCC1CCC(CC1)C(O)=O
-1137	mol	CCC1CCCCC1C(O)=O
-1138	mol	CCC1CC(CC(C1)C(O)=O)C(CC)=O
-1139	mol	CCc1ccccc1F
-1140	mol	CCC1CCCCC1F
-1141	mol	CCc1ccccc1N
-1142	mol	C=C(c1ccccc1)N
-1143	mol	CCC1CCCCC1N
-1144	mol	C=C(C1CCCCC1)N
-1145	mol	C=Cc1cc(ccc1)NC=O
-1146	mol	CCc1ccc(cc1)NC=O
-1147	mol	CCC1CC(CCC1)NC=O
-1148	mol	C=Cc1ccc(cc1)N(=O)=O
-1149	mol	C#Cc1cc(ccc1)N(=O)=O
-1150	mol	C#Cc1ccccc1N(=O)=O
-1151	mol	CC(c1ccccc1)N(=O)=O
-1152	mol	C=C(C1CCCCC1)N(=O)=O
-1153	mol	C=CC1CCCCC1N(=O)=O
-1154	mol	CCc1ccccc1O
-1155	mol	CCC1CCCCC1O
-1156	mol	CC(C1CCCCC1)=O
-1157	mol	C#CC1CCCCC1OC=C
-1158	mol	CC(C1CCCCC1)OC#C
-1159	mol	CCC1CCCC(C1O)C=C
-1160	mol	CCc1cccc(c1O)C=C=C
-1161	mol	CC(C1CCCCC1)OC=O
-1162	mol	CCC1C(CCCC1O)C=O
-1163	mol	CCC1CC(CCC1)OC=O
-1164	mol	CCC1CCC(CC1)OC=O
-1165	mol	CCC1CCCCC1OC=O
-1166	mol	CCC1CC(CCC1)OC(O)=O
-1167	mol	CCC1CC(CCC1O)C(O)=O
-1168	mol	CCc1cccc(c1O)NC=O
-1169	mol	C=CC1CCCCC1ONC=O
-1170	mol	CC(c1ccccc1O)N(=O)=O
-1171	mol	CCC1CCCC(C1O)OC=O
-1172	mol	CCc1ccccc1[SiH3]
-1173	mol	CCC1CCCCC1[SiH3]
-1174	mol	CCc1cccc(c2)c1oc2Br
-1175	mol	CCc1ccc(C)cc1C
-1176	mol	CCc1c(C)cccc1C
-1177	mol	CCc1ccc(C)cc1CC
-1178	mol	CCc1ccc(C)cc1C=C
-1179	mol	CCC1CCC(C)CC1CC
-1180	mol	CCc1cc(C)ccc1C(C)=O
-1181	mol	CCC1C(C(C)CCC1C)C=O
-1182	mol	CCC1C(C)C(CCC1C)C=O
-1183	mol	CCC1CC(C)C(CC1C)C=O
-1184	mol	CCc1ccc(C)cc1C=O
-1185	mol	CCc1cc(C)ccc1C=O
-1186	mol	CCc1ccc(C)cc1C(O)=O
-1187	mol	CCc1cc(C)ccc1C(O)=O
-1188	mol	CCc1ccc(C)cc1O
-1189	mol	CCc1cc(C)ccc1O
-1190	mol	CCc1c(C)cccc1O
-1191	mol	CCC1C(C)CCCC1O
-1192	mol	C=Cc1ccc(C=C)cc1
-1193	mol	C#Cc1ccc(C#C)cc1
-1194	mol	CCc1ccc(C#C)cc1
-1195	mol	CCc1ccc(CC)cc1
-1196	mol	C=Cc1cc(C=C)ccc1
-1197	mol	C#Cc1cc(C=C)ccc1
-1198	mol	C#Cc1cc(C#C)ccc1
-1199	mol	CCc1cc(C=C)ccc1
-1200	mol	CCc1cc(CC)ccc1
-1201	mol	CCC1CCCCCCC1
-1202	mol	CCC1CC(CC)CCC1
-1203	mol	CCC1CCC(CC)CC1
-1204	mol	CCc1cccc(CC)c1C
-1205	mol	CCC1CCCC(CC)C1C
-1206	mol	CCc1cccc(C=C)c1C=C
-1207	mol	CCc1cccc(C#C)c1C=C
-1208	mol	CCC1CCCC(CC)C1CC
-1209	mol	CCC1CCCCCCC1CC(C)C
-1210	mol	CCC1CC(C)C(C(C)C1CC)C=O
-1211	mol	CCc1cccc(CC)c1C=O
-1212	mol	CCC1CCCCCCC1C(O)=O
-1213	mol	CCc1cccc(C=C)c1F
-1214	mol	CCC1CCCCCCC1N
-1215	mol	CCC1C(CCCCCC1N)OC=O
-1216	mol	CCc1cccc(C=C)c1O
-1217	mol	CCc1cccc(CC)c1O
-1218	mol	CCc1ccc(C=C)cc1O
-1219	mol	CCc1c(C)cc(C)cc1O
-1220	mol	CCc1c(C=C)cccc1O
-1221	mol	CCC1CCCC(CC)C1O
-1222	mol	CCC1CCC(CCCC1)OC=O
-1223	mol	CCC1CCCCCCC1OC=O
-1224	mol	CCc1ccc(C(C)C)cc1
-1225	mol	CCc1cc(C(C)C)ccc1
-1226	mol	CCC1CCC(C(C)C)CC1
-1227	mol	CCc1ccc(C=C=C)cc1Br
-1228	mol	CCc1cccc(C(C)C)c1C
-1229	mol	CCc1cc(C(C)C)ccc1C
-1230	mol	CCC1C(C(CC)C(C)CC1C)C=O
-1231	mol	CCC1C(C)C(C(CC)CC1C)C=O
-1232	mol	CCC1CC(C)C(CC)C(C1C)C=O
-1233	mol	CCc1cccc(C(C)C)c1C=O
-1234	mol	CCC1CC(C(C)C)CCC1C=O
-1235	mol	CCC1CC(CC(C(C)C)C1)C=O
-1236	mol	CCc1cc(C(C)C)ccc1N
-1237	mol	CCc1cccc(C(C)C)c1O
-1238	mol	CCc1ccc(C=C)c(C)c1O
-1239	mol	CCc1ccc(C(C)C)cc1O
-1240	mol	CCc1cc(C)c(CC)cc1O
-1241	mol	CCc1cc(C=C)c(C)cc1O
-1242	mol	CCc1cc(CC)c(C)cc1O
-1243	mol	CCc1cc(C(C)C)ccc1O
-1244	mol	CCc1c(C)c(C=C)ccc1O
-1245	mol	CCc1c(C=C)cc(C)cc1O
-1246	mol	CCc1c(C=C)c(C)ccc1O
-1247	mol	CCc1c(C(C)C)cccc1O
-1248	mol	CCC1C(CC)C(C)CCC1O
-1249	mol	CCc1cc(C=C)cc(C=C)c1
-1250	mol	CCC1CC(CC(C)C)CCC1
-1251	mol	CCC1CCC(CC(C)C)CC1
-1252	mol	CCc1ccc(CC)c(CC)c1C
-1253	mol	CCc1ccc(C(C)(C)C)cc1C=O
-1254	mol	CCC1CCC(CC)C(F)C1F
-1255	mol	CCc1ccc(CC)c(N)c1N
-1256	mol	CCc1cc(C(C)C)co1
-1257	mol	CCc1ccc(C=C)c(O)c1O
-1258	mol	CCc1c(C(C)C)c(C=O)ccc1C
-1259	mol	CCc1c(C(C)C)c(C=O)cc(C=O)c1C
-1260	mol	C#Cc1cc(C=C)co1
-1261	mol	CCc1cc(C=C)co1
-1262	mol	CCc1cc(C#C)co1
-1263	mol	CCC1(CC)CCCO1
-1264	mol	CCC1(CC)CC=CO1
-1265	mol	CCc1c(C=C=C)coc1Br
-1266	mol	CCc1cccc(C=O)c1C
-1267	mol	CCc1cccc(C=O)c1CC
-1268	mol	CCc1cccc(C=O)c1C(C)C
-1269	mol	CCc1cccc(C=O)c1C=O
-1270	mol	CCc1cccc(C=O)c1O
-1271	mol	CCc1cccc(C=O)c1OC
-1272	mol	CCc1ccc(C(C)=O)cc1
-1273	mol	CCc1cc(C)c(C=O)cc1C
-1274	mol	CCc1c(C)cc(C=O)cc1C
-1275	mol	CCc1c(C=C)cc(O)cc1C
-1276	mol	CCc1ccc(C(C)=O)cc1CC
-1277	mol	CCc1ccc(C(C)=O)cc1C=O
-1278	mol	CCc1c(CC)c(C=O)ccc1C
-1279	mol	CCc1c(C(C)(C)C=O)cccc1O
-1280	mol	CCc1ccccn1
-1281	mol	C=Cc1ccccn1
-1282	mol	C#Cc1ccccn1
-1283	mol	C#CC1CCCCN1
-1284	mol	C=Cc1cc(ccn1)N(=O)=O
-1285	mol	CC(c1ccccn1)N(=O)=O
-1286	mol	CCc1ccc(C#N)cc1
-1287	mol	CCc1c(CC)c(N)ccc1O
-1288	mol	CCC1(C)CCCO1
-1289	mol	C#Cc1cccc(o2)c1cc2[SiH3]
-1290	mol	C=Cc1cc(C=C)oc1
-1291	mol	C#Cc1cc(C=C)oc1
-1292	mol	C#Cc1cc(C#C)oc1
-1293	mol	CCc1cc(C=C)oc1
-1294	mol	CCC1(C#C)C=COC1
-1295	mol	CCC1C=C(CC)OC1
-1296	mol	CCc1c(C=C)coc1C
-1297	mol	C#Cc1c(C=C)coc1C=O
-1298	mol	CCC1CCC(C(O)C1O)C=C
-1299	mol	C#Cc1ccc(C=O)cc1
-1300	mol	CCc1ccc(C=O)cc1
-1301	mol	CCc1c(C(C)C)occ1Cl
-1302	mol	CCc1ccc(C=O)cc1C=O
-1303	mol	CCc1ccc(C=O)cc1O
-1304	mol	CCc1c(C)cc(O)cc1O
-1305	mol	CCc1c(C)c(C=O)ccc1C
-1306	mol	CCc1c(C=C)c(O)ccc1C
-1307	mol	CCc1ccc(C=O)c(C)c1CC
-1308	mol	CCc1cccc(OC#C)c1O
-1309	mol	CCc1c(C)c(C=O)ccc1O
-1310	mol	CCc1cccc(OC=O)c1O
-1311	mol	CCc1c(C)c(C=O)c(O)cc1C
-1312	mol	CCc1ccc(C(O)=O)cc1
-1313	mol	CCc1ccc(C(O)=O)cc1O
-1314	mol	CCc1c(C)c(C(O)=O)ccc1C
-1315	mol	CCc1ccc(C(O)=O)c(C=O)c1C
-1316	mol	CCc1ccc(C(O)=O)c(C=O)c1CC
-1317	mol	CCc1cccc([SiH3])c1O
-1318	mol	CCc1ccc(F)cc1C=C
-1319	mol	CCc1ccc(F)cc1F
-1320	mol	CCc1ccc(F)cc1O
-1321	mol	CCc1cccnc1
-1322	mol	C#Cc1cccnc1
-1323	mol	CCc1ccc(N)cc1C
-1324	mol	CCc1ccc(N)cc1C=C
-1325	mol	CCc1ccc(N)cc1C(O)=O
-1326	mol	CCc1ccc(N)cc1NC=O
-1327	mol	CCc1ccc(N)cc1O
-1328	mol	CCC1CCCO1
-1329	mol	C=CC1CCCO1
-1330	mol	C=CC1=CCCO1
-1331	mol	C=CC1CC=CO1
-1332	mol	C#CC1CCCO1
-1333	mol	C#CC1=CCCO1
-1334	mol	C#CC1CC=CO1
-1335	mol	CCC1=CCCO1
-1336	mol	CCC1CC=CO1
-1337	mol	CC(C1CC=CO1)=C
-1338	mol	CC(C1CCCO1)=C
-1339	mol	C=C(C1CC=CO1)c2cocc2
-1340	mol	C=C(C1CCCO1)c2cocc2
-1341	mol	CC(C1CC=CO1)c2cocc2
-1342	mol	C=C(C1CC=CO1)c2occc2
-1343	mol	C=CC1(CC=CO1)C=C
-1344	mol	C=CC1(CCCO1)C=C
-1345	mol	C=CC1CC(=CO1)C=C
-1346	mol	C#CC1(CC=CO1)C=C
-1347	mol	C#CC1(CC=CO1)C#C
-1348	mol	C#CC1(CCCO1)C=C
-1349	mol	C#CC1(CCCO1)C#C
-1350	mol	C#CC1CC(CO1)C=C
-1351	mol	C#CC1CC(CO1)C#C
-1352	mol	CC(C1CC=CO1)C=C
-1353	mol	CC(C1CC=CO1)C#C
-1354	mol	CC(C1CCCO1)C=C
-1355	mol	CC(C1CCCO1)C#C
-1356	mol	CCC1(CC=CO1)C#C
-1357	mol	CCC1(CCCO1)C=C
-1358	mol	CCC1(CCCO1)C#C
-1359	mol	CCC1CC(CO1)C#C
-1360	mol	C=Cc1cc(co1)C=C=C
-1361	mol	C#Cc1cc(co1)C=C=C
-1362	mol	C=CC1(CCCO1)C=C=C
-1363	mol	C#CC1(CCCO1)CC=C
-1364	mol	CC(C1CC=CO1)=CC=C
-1365	mol	CC(C1CC=CO1)=CC#C
-1366	mol	CC(C1CCCO1)CC#C
-1367	mol	CCC1(CC=CO1)C=C=C
-1368	mol	CCC1(CCCO1)C=C=C
-1369	mol	CCC1(CCCO1)C(C)C
-1370	mol	CC(C1CCCO1)(C#C)C#C
-1371	mol	CC(C1CCCO1)C(C)C#C
-1372	mol	CCC1(CCCO1)C#CC#C
-1373	mol	CC(C1CCCO1)=C(C#C)C#C
-1374	mol	CC(C1CCCO1)(CC#C)C#C
-1375	mol	CC(C1CCCO1)CCC=C=C
-1376	mol	CC(C1CC=CO1)C(C)C(O)=O
-1377	mol	C=C(C1CC=CO1)C#CN(=O)=O
-1378	mol	CC(C1CC=CO1)C(C)N(=O)=O
-1379	mol	CCC1(CCCO1)C#N
-1380	mol	C=CC1CC(=CO1)C=O
-1381	mol	C#CC1(CC=CO1)C=O
-1382	mol	C#CC1(CCCO1)C=O
-1383	mol	CC(C1CC=CO1)C=O
-1384	mol	CC(C1CCCO1)C=O
-1385	mol	CCC1(CC=CO1)C=O
-1386	mol	CCC1(CCCO1)C=O
-1387	mol	C=CC1(CC=CO1)C(=O)C=C
-1388	mol	C#CC1(CC=CO1)C(=O)C#C
-1389	mol	CC(C1CCCO1)C(O)C#C
-1390	mol	C=CC1(CCCO1)C(=O)C=O
-1391	mol	C=CC1CC(=CO1)C(O)=O
-1392	mol	C#CC1CC(=CO1)C(O)=O
-1393	mol	CC(C1CC=CO1)C(O)=O
-1394	mol	CC(C1CCCO1)C(O)=O
-1395	mol	CCC1(CC=CO1)C(O)=O
-1396	mol	CCC1CC(=CO1)C(O)=O
-1397	mol	CCC1CC(CO1)C(O)=O
-1398	mol	C=C(C1CC=CO1)N
-1399	mol	CC(C1CC=CO1)=O
-1400	mol	CC(C1CCCO1)=O
-1401	mol	C#CC1(CCCO1)OC=O
-1402	mol	CC(C1CCCO1)OC=O
-1403	mol	C#CC1C=C(C)OC1
-1404	mol	CCC1(C)CCOC1
-1405	mol	CCC1(C)C=COC1
-1406	mol	CCc1ccc(O)cc1C
-1407	mol	CCc1ccc(O)cc1CC
-1408	mol	CCc1ccc(O)cc1C=C
-1409	mol	CCc1c(C=C)occ1C=C
-1410	mol	CCc1c(C#C)occ1C#C
-1411	mol	CCC1CCC(O)CC1CC
-1412	mol	CCc1ccc(O)cc1C=O
-1413	mol	CCC1CCC(O)CC1C=O
-1414	mol	CCC1C(CC(O)CC1C=O)C(O)=O
-1415	mol	CCc1ccc(O)cc1C(=O)N
-1416	mol	CCc1ccc(O)cc1F
-1417	mol	CCc1ccc(O)cc1N
-1418	mol	CCc1ccc(O)cc1O
-1419	mol	C#Cc1cc(C=O)ccc1
-1420	mol	CCc1cc(C=O)ccc1
-1421	mol	CCc1cc(C=O)ccc1C
-1422	mol	CCc1cc(C=O)ccc1C(C)C
-1423	mol	CCc1cc(C=O)ccc1C=O
-1424	mol	CCc1cc(C=O)ccc1O
-1425	mol	CCc1cc(C=O)c(C)cc1C
-1426	mol	CCc1ccc(O)c(C=C)c1O
-1427	mol	CCc1cc(C=O)cc(CC)c1C
-1428	mol	CCc1cc(C=O)c(C)c(C)c1C
-1429	mol	CCc1cc(C=O)c(CC)cc1C
-1430	mol	CCc1cc(C=O)cc(C(C)C)c1C
-1431	mol	CCc1cc(C=O)c(C)c(CC)c1C
-1432	mol	CCc1cc(C=O)c(C)c(CC)c1CC
-1433	mol	CCc1cc(C=O)c(C)c(C(C)C)c1C
-1434	mol	CCc1cc(C=O)c(CC)c(CC)c1C
-1435	mol	CCc1cc(C=O)c(C(C)C)c(C)c1C
-1436	mol	CCc1ccc(O)c(C=O)c1O
-1437	mol	C#Cc1cc(C=O)co1
-1438	mol	CCc1cc(C=O)co1
-1439	mol	CCc1ccc(OC=O)cc1O
-1440	mol	CCc1cc(C=O)c(O)c(CC)c1C
-1441	mol	C=CC1CC(=C(O)O1)C=C
-1442	mol	C#Cc1cc(C=O)oc1
-1443	mol	CCc1cc(C=O)oc1
-1444	mol	CCc1cc(C=O)oc1C
-1445	mol	CCc1cc(C(O)=O)ccc1
-1446	mol	CCc1cc(C(O)=O)cc(C=O)c1C
-1447	mol	CCc1cc(C(O)=O)cc(C=O)c1O
-1448	mol	CCc1cc(C(O)=O)co1
-1449	mol	CCc1cc(C(O)=O)oc1
-1450	mol	CCc1cc(F)ccc1O
-1451	mol	CCc1cc(F)c(C=O)cc1O
-1452	mol	CCc1c(Cl)cccc1O
-1453	mol	CCC1C(Cl)COC1Cl
-1454	mol	CCc1ccncc1
-1455	mol	C=Cc1ccncc1
-1456	mol	C#Cc1ccncc1
-1457	mol	CCC1CCNCC1
-1458	mol	C=CC1CCNCC1
-1459	mol	C#CC1CCNCC1
-1460	mol	C#CC1(CCNCC1)C=C
-1461	mol	CCC1(CCNCC1)C=C
-1462	mol	CCC1(CCNCC1)C#C
-1463	mol	C=CC1(CCNCC1)C#CC=C
-1464	mol	C#CC1(CCNCC1)C=O
-1465	mol	CCC1(CCNCC1)N(=O)=O
-1466	mol	CCc1cc(N)ccc1C(=O)N
-1467	mol	CCc1cc(N)ccc1NC=O
-1468	mol	CCc1cc(N)ccc1O
-1469	mol	CCC1CCOC1
-1470	mol	C=CC1CCOC1
-1471	mol	C=CC1C=COC1
-1472	mol	C#CC1CCOC1
-1473	mol	C#CC1C=COC1
-1474	mol	CCC1C=COC1
-1475	mol	CCc1ccoc1Br
-1476	mol	CCc1ccoc1C
-1477	mol	CC(C1CCOC1)=C
-1478	mol	CCC1C=COC1C
-1479	mol	C=C(C1C=COC1)c2cocc2
-1480	mol	C=C(C1C=COC1)c2occc2
-1481	mol	C=C(C1CCOC1)c2occc2
-1482	mol	CCc1ccoc1CC
-1483	mol	C=Cc1ccoc1C=C
-1484	mol	C#Cc1ccoc1C=C
-1485	mol	C#Cc1ccoc1C#C
-1486	mol	CCc1ccoc1C=C
-1487	mol	CCc1ccoc1C#C
-1488	mol	C=CC1(CCOC1)C=C
-1489	mol	C#CC1C=C(OC1)C#C
-1490	mol	CC(C1C=COC1)=C=C
-1491	mol	CC(C1C=COC1)C=C
-1492	mol	CC(C1CCOC1)C=C
-1493	mol	CC(C1CCOC1)C#C
-1494	mol	CCC1C=C(OC1)C#C
-1495	mol	CCC1C=COC1C=C
-1496	mol	CCC1C=COC1C#C
-1497	mol	CCC1CC(OC1)C=C
-1498	mol	CCC1CCOC1C=C
-1499	mol	C=Cc1ccoc1C=C=C
-1500	mol	CCc1cc(oc1)C=C=C
-1501	mol	CCc1ccoc1C=C=C
-1502	mol	CCc1ccoc1C(C)C
-1503	mol	CC(C1C=COC1)=CC=C
-1504	mol	CC(C1C=COC1)=CC#C
-1505	mol	CC(C1C=COC1)C=C=C
-1506	mol	CC(C1CCOC1)=CC=C
-1507	mol	C=Cc1ccoc1C#CC=C
-1508	mol	C#Cc1ccoc1C#CC=C
-1509	mol	C#CC1CCOC1(C#C)C#C
-1510	mol	CC(C1CCOC1)C#CC=C
-1511	mol	CCC1C=COC1(C#C)C=C
-1512	mol	CC(C1C=COC1)=CC=CC#C
-1513	mol	CC(C1CCOC1)CC(C)C=O
-1514	mol	CC(C1CCOC1)(C#C)C=O
-1515	mol	CC(C1CCOC1)C(C)C=O
-1516	mol	CC(C1CCOC1)CC(C)=O
-1517	mol	CC(C1CCOC1)CCC=O
-1518	mol	C=CC1CCOC1C#CC(O)=O
-1519	mol	CC(C1C=COC1)(C=C)C(O)=O
-1520	mol	CC(C1CCOC1)C(C)C(O)=O
-1521	mol	CC(C1CCOC1)CCC(O)=O
-1522	mol	C#Cc1ccoc1C=O
-1523	mol	CCc1ccoc1C=O
-1524	mol	C#CC1C=COC1C=O
-1525	mol	C#CC1CC(OC1)C=O
-1526	mol	CCC1C=COC1C=O
-1527	mol	C=CC1C=COC1(C=O)C=C
-1528	mol	CC(C1CCOC1)(C=O)C=C=C
-1529	mol	CCC1C=C(OC1C=O)C=O
-1530	mol	CCc1ccoc1C(O)=O
-1531	mol	C#CC1C=C(OC1)C(O)=O
-1532	mol	CCC1C=COC1C(O)=O
-1533	mol	CCC1CC(OC1)C(O)=O
-1534	mol	CCC1CCOC1C(O)=O
-1535	mol	CCc1ccoc1O
-1536	mol	CCC1CCOC1O
-1537	mol	CC(C1C=COC1)=O
-1538	mol	CC(C1CCOC1)=O
-1539	mol	CCC1C=COC1O
-1540	mol	CCC1CCOC1(O)CC
-1541	mol	CCC1C=COC1(OC#C)C#C
-1542	mol	CCc1ccoc1OC=O
-1543	mol	CCC1C=COC1OC=O
-1544	mol	CCc1cc(O)ccc1C
-1545	mol	CCC1CC(O)CCC1C
-1546	mol	CCC1CC(O)CCC1C(C)C
-1547	mol	CCc1cc(O)ccc1C=O
-1548	mol	CCC1CC(O)CCC1C=O
-1549	mol	CCc1cc(O)ccc1C(=O)N
-1550	mol	CCc1cc(O)ccc1C(O)=O
-1551	mol	CCC1CC(O)CCC1C(O)=O
-1552	mol	CCc1cc(O)ccc1F
-1553	mol	CCc1cc(O)ccc1O
-1554	mol	CCC1CC(O)CCC1O
-1555	mol	CCc1cc(O)ccc1OC=O
-1556	mol	CCC1CC(O)CCC1OC=O
-1557	mol	CCc1c(C=O)cccc1C
-1558	mol	CCc1c(C=O)cccc1O
-1559	mol	CCc1cc(O)cc(CC)c1C
-1560	mol	CCc1c(C=O)cc(C)cc1C
-1561	mol	CCc1c(C=O)c(C)ccc1C
-1562	mol	CCc1cc(O)c(C=C)cc1F
-1563	mol	CCc1cc(O)cc(C=C)c1O
-1564	mol	CCc1cc(O)cc(CC)c1O
-1565	mol	CCc1cc(O)c(C=C)cc1O
-1566	mol	CCC1CC(OC(C)C)CCC1
-1567	mol	CCc1cc(OC#C)oc1
-1568	mol	CCc1c(C=O)cc(O)cc1C
-1569	mol	CCc1c(C=O)cc(O)cc1O
-1570	mol	CCc1c(C=O)c(C=O)ccc1C
-1571	mol	CCc1c(C=O)c(C=O)ccc1C=O
-1572	mol	CCc1c(C=O)c(C=O)c(C(C)C)cc1C
-1573	mol	CCC1CC(O)=CO1
-1574	mol	CCc1c(C=O)coc1C
-1575	mol	CCc1cc(OC=O)co1
-1576	mol	CCc1cc(OC=O)oc1
-1577	mol	CCc1cc(OC=O)oc1O
-1578	mol	CCc1cc(O)oc1C
-1579	mol	CCc1cc(O)oc1CC
-1580	mol	CCc1c(C(O)=O)cccc1C
-1581	mol	CCc1c(C(O)=O)cccc1C=O
-1582	mol	CCc1c(C(O)=O)cccc1C(O)=O
-1583	mol	CCc1c(C(O)=O)cccc1O
-1584	mol	C#CC1CC([SiH3])=CO1
-1585	mol	CCC1(Cl)CCCO1
-1586	mol	C=Cc1cnccc1C=C
-1587	mol	CCc1cnccc1N
-1588	mol	C=CC1CN(CCC1)N(=O)=O
-1589	mol	CCc1c(N)cccc1F
-1590	mol	CCc1c(N)cccc1O
-1591	mol	CCc1c(N)ccnc1C
-1592	mol	CCc1c(N)cc(O)cc1O
-1593	mol	CCc1coc2c1cccc2
-1594	mol	C=Cc1coc2c1cccc2
-1595	mol	C#Cc1coc2c1cccc2
-1596	mol	C=Cc1coc2c1cccc2Br
-1597	mol	C#Cc1coc2c1cccc2F
-1598	mol	CCc1coc(Br)c1Br
-1599	mol	CCc1cocc1
-1600	mol	C=Cc1cocc1
-1601	mol	C#Cc1cocc1
-1602	mol	C=CC1=COCC1
-1603	mol	C#CC1=COCC1
-1604	mol	CCC1=COCC1
-1605	mol	CCc1cocc1Br
-1606	mol	CCc1cocc1C
-1607	mol	C#CC1COC=C1C
-1608	mol	C(#Cc1cocc1)c2cocc2
-1609	mol	C=C(c1cocc1)c2occc2
-1610	mol	CCc1cocc1CC
-1611	mol	C=Cc1cocc1C=C
-1612	mol	C#Cc1cocc1C=C
-1613	mol	C#Cc1cocc1C#C
-1614	mol	CC(c1cocc1)=C=C
-1615	mol	CCc1cocc1C=C
-1616	mol	CCc1cocc1C#C
-1617	mol	C#CC1COC=C1C#C
-1618	mol	C#CC1COCC1C=C
-1619	mol	CCC1COC=C1CC
-1620	mol	CC(c1cocc1)=CC=C
-1621	mol	CC(c1cocc1)=CC#C
-1622	mol	CCc1cocc1C=C=C
-1623	mol	CCc1cocc1C(C)C
-1624	mol	C#CC1COCC1C=C=C
-1625	mol	CC(c1cocc1)=C=CC=C
-1626	mol	CCc1cocc1C(C)(C)C
-1627	mol	CC(c1cocc1)=C=CC=C=C
-1628	mol	CCC1COC(C1C(C)C)C=C
-1629	mol	CC(c1cocc1)=CC=O
-1630	mol	CC(c1cocc1)=C(C=O)C=C
-1631	mol	CC(c1cocc1)=CC(O)=O
-1632	mol	C#Cc1cocc1C=O
-1633	mol	CCc1cocc1C=O
-1634	mol	C=CC1COC=C1C=O
-1635	mol	CCC1=COC(C1)C(=O)C=C
-1636	mol	CC(c1cocc1)=C(O)C=O
-1637	mol	CCc1cocc1C(OC=O)=C
-1638	mol	CCc1cocc1C(O)=O
-1639	mol	C=CC1COC=C1C(O)=O
-1640	mol	CC(c1cocc1)N(=O)=O
-1641	mol	CCc1cocc1O
-1642	mol	CCc1cocc1OC=C
-1643	mol	CCc1cocc1OC=O
-1644	mol	CCC1COC=C1OC=O
-1645	mol	CCC1(C)OC=CC1C=C
-1646	mol	CCC1(C)OC(CC1O)C(O)=O
-1647	mol	C=Cc1coc(C=C)c1C=C
-1648	mol	CCc1coc(C=C)c1C=C
-1649	mol	CCc1coc(C=C)c1O
-1650	mol	CCc1coc(CC)c1O
-1651	mol	CCc1c(O)cccc1O
-1652	mol	C=Cc1coc(ccc2)c1c2Br
-1653	mol	CCc1coc(C=C=C)c1Br
-1654	mol	C=Cc1coc(C=C=C)c1C=C
-1655	mol	CCc1c(O)cc(C)cc1O
-1656	mol	CCc1c(O)cc(C=C)cc1O
-1657	mol	CCc1c(O)c(C=C)ccc1O
-1658	mol	CCc1c(O)cc(C=O)cc1O
-1659	mol	CCc1coc(Cl)c1Br
-1660	mol	CCc1coc(C=O)c1C
-1661	mol	CCc1coc(C=O)c1O
-1662	mol	CCc1c(O)cc(O)cc1O
-1663	mol	CCc1coc(C(O)=O)c1C
-1664	mol	CCc1coc(C(O)=O)c1C=C
-1665	mol	CCc1coc(C(O)=O)c1O
-1666	mol	CCC1C(O)=COC1(C#C)C=C
-1667	mol	CCc1c(OC=O)cccc1O
-1668	mol	CCc1c(OC=O)coc1C
-1669	mol	CCc1coc(OC=O)c1C=C
-1670	mol	CCc1coc(OC=O)c1O
-1671	mol	CCc1c(O)c(OC=O)oc1O
-1672	mol	CCc1c(OC=O)occ1C
-1673	mol	CCc1occ(Br)c1Br
-1674	mol	CCc1occc1
-1675	mol	C=Cc1occc1
-1676	mol	C#Cc1occc1
-1677	mol	CCc1occc1Br
-1678	mol	CCc1oc(cc1Br)N(=O)=O
-1679	mol	CCc1occ(c1Br)N(=O)=O
-1680	mol	CCc1occc1C
-1681	mol	CCC1OCCC1C
-1682	mol	CCC1OC=CC1C
-1683	mol	C(Cc1occc1)c2cocc2
-1684	mol	C(#Cc1occc1)c2occc2
-1685	mol	C#Cc1occc1C=C
-1686	mol	CCc1occc1C=C
-1687	mol	CCc1occc1C#C
-1688	mol	C=CC1OC=CC1C=C
-1689	mol	C=CC1OC(=CC1)C=C
-1690	mol	C#CC1OC=CC1C=C
-1691	mol	C#CC1OC=CC1C#C
-1692	mol	C#CC1OC(=CC1)C#C
-1693	mol	CCC1OC=CC1C=C
-1694	mol	CCC1OC(CC1)C#C
-1695	mol	C=Cc1oc(cc1)C=C=C
-1696	mol	C=Cc1occc1C=C=C
-1697	mol	CCc1oc(cc1)C=C=C
-1698	mol	CCc1occc1C=C=C
-1699	mol	CCc1occc1C(C)C
-1700	mol	C=CC1OCCC1C=C=C
-1701	mol	CCC1(OCCC1C)C#C
-1702	mol	CCC1OCCC1C(C)C
-1703	mol	C=Cc1occc1C=CC=C
-1704	mol	C#Cc1occc1C#CC#C
-1705	mol	CCC1(OC=CC1C#C)C#C
-1706	mol	CCC1(OCCC1C#C)C#C
-1707	mol	CCC1OC(=CC1CC)C#C
-1708	mol	CCC1(OCCC1C=C=C)C=C
-1709	mol	CCC1(OCCC1C=C)C=O
-1710	mol	CCC1OC=CC1C#N
-1711	mol	C#Cc1occc1C=O
-1712	mol	CCc1occc1C=O
-1713	mol	C=CC1OC=CC1C=O
-1714	mol	C#CC1OC=CC1C=O
-1715	mol	C#CC1OC(=CC1)C=O
-1716	mol	CCC1OC(=CC1)C=O
-1717	mol	CCC1OCCC1C=O
-1718	mol	C#Cc1occc1C(=O)C#C
-1719	mol	CC(c1occc1)=C(O)C=O
-1720	mol	C=CC1OC(=CC1C=O)C=O
-1721	mol	CCc1occc1C(O)=O
-1722	mol	CCc1occc1F
-1723	mol	CCC1OCCC1F
-1724	mol	CCc1oc(cc1F)C=C=C
-1725	mol	C=C(c1occc1)N(=O)=O
-1726	mol	CCc1oc(cc1)N(=O)=O
-1727	mol	C#CC1OC=CC1N(=O)=O
-1728	mol	CCc1occc1O
-1729	mol	CCC1OCCC1O
-1730	mol	CCc1occc1OC=O
-1731	mol	CCC1OCCC1OC=O
-1732	mol	CCC1OC(CC1O)C(O)=O
-1733	mol	CCc1occc1[SiH3]
-1734	mol	CCC1(OCCC1[SiH3])C=C
-1735	mol	CCc1oc(C)cc1C=C
-1736	mol	CCC1OC(C)=CC1C=C
-1737	mol	CCc1oc(C)cc1OC=O
-1738	mol	CCC1OC(C)(CC1O)C(O)=O
-1739	mol	C=Cc1oc(C=C)cc1
-1740	mol	C#Cc1oc(C=C)cc1
-1741	mol	C#Cc1oc(C#C)cc1
-1742	mol	CCc1oc(C=C)cc1
-1743	mol	CCc1oc(C#C)cc1
-1744	mol	CCc1oc(CC)cc1
-1745	mol	CCc1occ(C=C)c1C
-1746	mol	CCc1occ(C=C)c1C=C
-1747	mol	CCc1oc(C=C)cc1C=O
-1748	mol	CCc1oc(C(C)C)cc1
-1749	mol	CCC1OC(=C(CCC)C1)C=C
-1750	mol	CCC1OC(C(C)C)=CC1C#C
-1751	mol	CCc1oc(C=C=C)cc1C=O
-1752	mol	CCc1occ(C=C=C)c1F
-1753	mol	CCc1oc(C=C)c(C=C)c1O
-1754	mol	CCC1(O)CCCO1
-1755	mol	CCC1(O)CC=CO1
-1756	mol	CCc1occ(C=O)c1CC
-1757	mol	CCc1occ(C=O)c1C=C
-1758	mol	CCc1oc(C)c(OC=O)c1[SiH3]
-1759	mol	CCc1occ(C(O)=O)c1C
-1760	mol	CCc1oc(C#N)cc1
-1761	mol	CCc1oc(C=O)cc1
-1762	mol	CCc1oc(C=O)cc1OC=O
-1763	mol	CCc1occ(OC=O)c1CC
-1764	mol	CCc1occ(OC=O)c1O
-1765	mol	C=CC1OC(N)=CC1
-1766	mol	CCc1oc(N)cc1Br
-1767	mol	C=CC1OC(N)=C([SiH3])C1
-1768	mol	CCC1OC(O)=CC1
-1769	mol	CCC1OC(O)=CC1C=C
-1770	mol	CCC1(OC=O)CC=CO1
-1771	mol	CCc1oc(OC=O)cc1
-1772	mol	C#CC1OC(OC=O)=CC1
-1773	mol	CCc1oc(OC=O)cc1C=C
-1774	mol	CCc1oc(OC=O)cc1O
-1775	mol	CCC1(O)OCCC1C=C
-1776	mol	CCC1(O)OCCC1O
-1777	mol	CCC1(O)OC=CC1O
-1778	mol	CCc2c1ccccc1oc2C
-1779	mol	CCc2c1ccccc1oc2[SiH3]
-1780	mol	C=CC2(C1CC=CO1)CC=CO2
-1781	mol	C#CC2(C1CC=CO1)CC=CO2
-1782	mol	C#CC2(C1CCCO1)CC=CO2
-1783	mol	CCC2(C1CCCO1)CC=CO2
-1784	mol	C=Cc2c1ccoc1ccc2
-1785	mol	C#Cc2c1ccoc1ccc2
-1786	mol	C#CC2(C1C=COC1)C=COC2
-1787	mol	CCc2c1occc1ccc2
-1788	mol	C=Cc2c1occc1ccc2
-1789	mol	C#Cc2c1occc1ccc2
-1790	mol	C#Cc2cc1ccoc1c(Br)c2
-1791	mol	CCc2cc1ccoc1cc2
-1792	mol	C#Cc2cc1ccoc1cc2
-1793	mol	C#Cc2cc1ccoc1c(F)c2
-1794	mol	CCc2cc1occc1cc2
-1795	mol	C=Cc2cc1occc1cc2
-1796	mol	C#Cc2cc1occc1cc2
-1797	mol	CCc2cc(C1CCCCC1)ccc2
-1798	mol	CCc2cc(C1CCCCC1)ccc2C=O
-1799	mol	CCc2cc(C1CCCO1)co2
-1800	mol	C=CC2CC(C1CC=CO1)=CO2
-1801	mol	C=Cc2cc(C1=CCCO1)oc2
-1802	mol	CCc2cc(C1CC=CO1)oc2
-1803	mol	CCc2cc(C1CCCO1)oc2
-1804	mol	C#Cc2ccc1ccoc1c2Cl
-1805	mol	C#Cc2ccc1ccoc1c2[SiH3]
-1806	mol	C=CC2CC(C1CCOC1)=CO2
-1807	mol	C#Cc2cc(C1C=COC1)oc2
-1808	mol	C=Cc2cc(C1=COCC1)co2
-1809	mol	C#Cc2cc(C1=COCC1)co2
-1810	mol	c(cc2)ccc2c1ccccc1
-1811	mol	C(CC2)CCC2c1ccccc1
-1812	mol	C(CC2)CCC2C1CCCCC1
-1813	mol	C(CC2)CCC2C1CCCO1
-1814	mol	C(CC2)CCC2C1=CCCO1
-1815	mol	C(CC2)CCC2C1CC=CO1
-1816	mol	C(CC2)CCC2C1CCOC1
-1817	mol	C(CC2)CCC2C1C=COC1
-1818	mol	c(cc2)ccc2c1cocc1
-1819	mol	C(CC2)CCC2c1cocc1
-1820	mol	C(CC2)CCC2C1=COCC1
-1821	mol	c(cc2)ccc2c1occc1
-1822	mol	C(CC2)CCC2c1occc1
-1823	mol	C(CC2)CCC2c3ccc(C1CCCCC1)cc3
-1824	mol	C(CC2)CCC2Cc1ccccc1
-1825	mol	C(CC2)CCC2CC1CCCO1
-1826	mol	C(CC2)CCC2Cc1cocc1
-1827	mol	C(CC2)CCC2Cc1occc1
-1828	mol	C(CC2)CCC2CCc1ccccc1
-1829	mol	C(CC2)CCC2Oc1ccccc1
-1830	mol	C(CC2)CCC2OC1CCCO1
-1831	mol	C(CC2)CCC2Oc1occc1
-1832	mol	C(CC2)CCC2[SiH2]C1CCOC1
-1833	mol	CCc2c(C)c(C1CCCCC1)ccc2C
-1834	mol	CCc2c(C)c(c1ccccc1)c(C(C)C)c(C=O)c2CC
-1835	mol	CCc2ccccc2c1ccccc1
-1836	mol	CC(c2ccccc2)c1ccccc1
-1837	mol	CCc2ccccc2C1CCCCC1
-1838	mol	CCC2CCCCC2c1ccccc1
-1839	mol	CCC2CCCCC2C1CCCCC1
-1840	mol	CC(C2CCCCC2)C1CCCCC1
-1841	mol	CCC2CCC(CC2)C1CCCCC1
-1842	mol	CCc2c(cccc2C)c1ccccc1
-1843	mol	CCC2CCCC(C2CC)c1ccccc1
-1844	mol	CCC2CCCC(C2CCc1ccccc1)C(O)=O
-1845	mol	CCC2CCCC(C2CCC(O)=O)c1ccccc1
-1846	mol	CC(C2CCCCC2)CC(=O)c1ccccc1
-1847	mol	CC(C2CCCCC2)C(O)(C)c1ccccc1
-1848	mol	CCc2c(C)c(ccc2O)c1ccccc1
-1849	mol	CCc2cccc(C=O)c2C1CCCCC1
-1850	mol	CCC2CC(CO2)C1CCCCC1
-1851	mol	C=C(C2CC=CO2)C1CC=CO1
-1852	mol	C=CC2(CCCO2)C1CCCO1
-1853	mol	C(CC2CC=CO2)C1CC=CO1
-1854	mol	CC(C2CC=CO2)C1CC=CO1
-1855	mol	CCC2(CCCO2)C1CCCO1
-1856	mol	CCC2CC(CO2)C1CC=CO1
-1857	mol	C=CC2(CCCO2)C1CCOC1
-1858	mol	CCC2CC(CO2)C1CCOC1
-1859	mol	C=Cc2cc(co2)c1cocc1
-1860	mol	C#Cc2cc(co2)c1cocc1
-1861	mol	CCc2cc(co2)c1cocc1
-1862	mol	C=C(C2CC=CO2)c1cocc1
-1863	mol	C=C(C2CCCO2)c1cocc1
-1864	mol	C=CC2(CCCO2)c1cocc1
-1865	mol	C=CC2CC(=CO2)c1cocc1
-1866	mol	C#CC2CC(CO2)c1cocc1
-1867	mol	CC(C2CC=CO2)c1cocc1
-1868	mol	C=CC2(CC=CO2)C1=COCC1
-1869	mol	C=Cc2cc(co2)c1occc1
-1870	mol	CCc2cc(co2)c1occc1
-1871	mol	CCc2cc(C=O)ccc2C1CCCCC1
-1872	mol	CCc2ccoc2C1CCCO1
-1873	mol	C=Cc2ccoc2C1CCCO1
-1874	mol	C=Cc2ccoc2C1=CCCO1
-1875	mol	C=Cc2ccoc2C1CC=CO1
-1876	mol	C#Cc2ccoc2C1CCCO1
-1877	mol	C#Cc2ccoc2C1=CCCO1
-1878	mol	C#Cc2ccoc2C1CC=CO1
-1879	mol	CCc2ccoc2C1CC=CO1
-1880	mol	C=C(C2CCOC2)C1=CCCO1
-1881	mol	C=CC2C=COC2C1CCCO1
-1882	mol	C=CC2C=COC2C1CC=CO1
-1883	mol	C(CC2C=COC2)C1CC=CO1
-1884	mol	C#CC2(CCOC2)C1CC=CO1
-1885	mol	C#CC2C=C(OC2)C1=CCCO1
-1886	mol	C#CC2CCOC2C1=CCCO1
-1887	mol	CCC2C=COC2C1CCCO1
-1888	mol	CCC2C=C(OC2)C1CCCO1
-1889	mol	CCC2C=COC2C1CC=CO1
-1890	mol	C=Cc2ccoc2C1CCOC1
-1891	mol	C=Cc2ccoc2C1C=COC1
-1892	mol	C#Cc2ccoc2C1C=COC1
-1893	mol	C=C(C2CCOC2)C1CCOC1
-1894	mol	C=CC2C=C(OC2)C1C=COC1
-1895	mol	CCC2C=COC2C1C=COC1
-1896	mol	CCc2ccoc2c1cocc1
-1897	mol	C=Cc2ccoc2c1cocc1
-1898	mol	C=Cc2cc(oc2)c1cocc1
-1899	mol	C#Cc2ccoc2c1cocc1
-1900	mol	C#Cc2cc(oc2)c1cocc1
-1901	mol	CCc2cc(oc2)c1cocc1
-1902	mol	C#Cc2ccoc2C1=COCC1
-1903	mol	C=C(C2C=COC2)c1cocc1
-1904	mol	C=C(C2CCOC2)c1cocc1
-1905	mol	C=CC2C=COC2c1cocc1
-1906	mol	C=CC2CC(OC2)c1cocc1
-1907	mol	CC(C2C=COC2)c1cocc1
-1908	mol	CC(C2CCOC2)c1cocc1
-1909	mol	CCC2C=COC2c1cocc1
-1910	mol	CCC2CC(OC2)c1cocc1
-1911	mol	C=CC2C=COC2C1=COCC1
-1912	mol	C#CC2(C=COC2)C1=COCC1
-1913	mol	CCc2ccoc2c1occc1
-1914	mol	C=Cc2ccoc2c1occc1
-1915	mol	C=Cc2cc(oc2)c1occc1
-1916	mol	C#Cc2ccoc2c1occc1
-1917	mol	C#Cc2cc(oc2)c1occc1
-1918	mol	CCc2cc(oc2)c1occc1
-1919	mol	C=C(C2CCOC2)c1occc1
-1920	mol	C=CC2CC(OC2)c1occc1
-1921	mol	C#CC2CC(OC2)c1occc1
-1922	mol	CC(C2C=COC2)c1occc1
-1923	mol	CCC2C=C(OC2)c1occc1
-1924	mol	CCc2c(C=O)cc(c1ccccc1)c(C)c2CC
-1925	mol	CCc2cocc2C1CCCO1
-1926	mol	C=Cc2cocc2C1CCCO1
-1927	mol	C=Cc2cocc2C1=CCCO1
-1928	mol	C#Cc2cocc2C1CCCO1
-1929	mol	C#Cc2cocc2C1CC=CO1
-1930	mol	CCc2cocc2C1=CCCO1
-1931	mol	CCc2cocc2C1CC=CO1
-1932	mol	C=CC2=COCC2C1CCCO1
-1933	mol	CCc2cocc2C1CCOC1
-1934	mol	C=Cc2cocc2C1C=COC1
-1935	mol	C#Cc2cocc2C1CCOC1
-1936	mol	C#Cc2cocc2C1C=COC1
-1937	mol	CCc2cocc2C1C=COC1
-1938	mol	C=CC2COC=C2C1CCOC1
-1939	mol	CCc2cocc2c1cocc1
-1940	mol	C=Cc2cocc2c1cocc1
-1941	mol	C=C(c2cocc2)c1cocc1
-1942	mol	C(#Cc2cocc2)c1cocc1
-1943	mol	C(Cc2cocc2)c1cocc1
-1944	mol	C#Cc2cocc2c1cocc1
-1945	mol	CC(c2cocc2)c1cocc1
-1946	mol	C=Cc2cocc2C1=COCC1
-1947	mol	C=CC2COCC2c1cocc1
-1948	mol	CCC2COC=C2c1cocc1
-1949	mol	CCc2cocc2c1occc1
-1950	mol	C=Cc2cocc2c1occc1
-1951	mol	C=C(c2cocc2)c1occc1
-1952	mol	C#Cc2cocc2c1occc1
-1953	mol	CCc2oc(C1CC=CO1)cc2
-1954	mol	C=CC2OC(C1CCCO1)=CC2
-1955	mol	C=Cc2oc(C1=COCC1)cc2
-1956	mol	C#Cc2oc(C1=COCC1)cc2
-1957	mol	CCc2occc2C1CCCO1
-1958	mol	C=Cc2occc2C1CCCO1
-1959	mol	C=C(c2occc2)C1=CCCO1
-1960	mol	C=Cc2occc2C1=CCCO1
-1961	mol	C#Cc2occc2C1CCCO1
-1962	mol	C#Cc2occc2C1CC=CO1
-1963	mol	C=CC2OC=CC2C1CC=CO1
-1964	mol	C#CC2OC=CC2C1=CCCO1
-1965	mol	CCC2OC=CC2C1CCCO1
-1966	mol	CCC2OC=CC2C1=CCCO1
-1967	mol	C=Cc2occc2C1CCOC1
-1968	mol	C=Cc2occc2C1C=COC1
-1969	mol	C#Cc2occc2C1CCOC1
-1970	mol	C#Cc2occc2C1C=COC1
-1971	mol	CCC2OCCC2C1CCOC1
-1972	mol	C#CC2OCCC2C1C=COC1
-1973	mol	CCC2OC(CC2)C1CCOC1
-1974	mol	CCc2occc2c1cocc1
-1975	mol	C=Cc2occc2c1cocc1
-1976	mol	C=Cc2oc(cc2)c1cocc1
-1977	mol	C(#Cc2occc2)c1cocc1
-1978	mol	C#Cc2occc2c1cocc1
-1979	mol	C=Cc2occc2C1=COCC1
-1980	mol	C=CC2OC(CC2)c1cocc1
-1981	mol	C#CC2OCCC2c1cocc1
-1982	mol	C#CC2OC=CC2c1cocc1
-1983	mol	C#CC2OC(CC2)c1cocc1
-1984	mol	CCC2OC(=CC2)C1=COCC1
-1985	mol	C=Cc2occc2c1occc1
-1986	mol	C=Cc2oc(cc2)c1occc1
-1987	mol	C#Cc2occc2c1occc1
-1988	mol	CC(c2occc2)c1occc1
-1989	mol	CCc2oc(cc2)c1occc1
-1990	mol	CCC2OC(=CC2)c1occc1
-1991	mol	C(CC3)CCC3C(Cc1ccccc1)c2ccccc2
-1992	mol	CCCBr
-1993	mol	CC(C)Br
-1994	mol	CCC(Br)=C
-1995	mol	CC=C(Br)c1ccccc1
-1996	mol	CC(C)(Br)c1ccccc1
-1997	mol	CC(C)(Br)c1ccccn1
-1998	mol	CCC(Br)c1cocc1
-1999	mol	CCC(Br)CC
-2000	mol	CCC(Br)=CC
-2001	mol	CCC(Br)C=C
-2002	mol	CCC(Br)C=C=C
-2003	mol	CCC(Br)=C=CC1CCCCC1
-2004	mol	CCC(Br)(C=C)c1cocc1
-2005	mol	CCC(Br)=CC=C=C
-2006	mol	CCC(Br)(CC)CC
-2007	mol	CCC(Br)CC(C)C
-2008	mol	CCC(Br)(CC)C(C)C
-2009	mol	CCC(Br)(CC)C(N)C
-2010	mol	CCC(Br)CCl
-2011	mol	CCC(Br)=C=C(N(=O)=O)N(=O)=O
-2012	mol	CCC(Br)=C=C[SiH3]
-2013	mol	CCC(Br)=CF
-2014	mol	CCC(Br)CN(=O)=O
-2015	mol	CCC(Br)C=O
-2016	mol	CC(C)(Br)C(O)=O
-2017	mol	CCCC
-2018	mol	C#CC=C
-2019	mol	C#CC#C
-2020	mol	CC=CC
-2021	mol	CC=C=C
-2022	mol	CC(C)C
-2023	mol	CC(C)=C
-2024	mol	CC#CC
-2025	mol	CCC=C
-2026	mol	CCC#C
-2027	mol	CC(C)C1(Br)CC=CO1
-2028	mol	CCCC1(Br)CCCO1
-2029	mol	CCCC1(Br)OCCC1C=C=C
-2030	mol	C(CC=C1c2ccccc2)O1
-2031	mol	C(CCC1c2ccccc2)O1
-2032	mol	C(CC=C1C2CC=CO2)O1
-2033	mol	C(CCC1C2=CCCO2)O1
-2034	mol	C(CCC1C2CC=CO2)O1
-2035	mol	C(CCC1C2CCCO2)O1
-2036	mol	C(CC=C1c2ccncc2)O1
-2037	mol	C(CCC1c2ccncc2)O1
-2038	mol	C(CCC1C2C=COC2)O1
-2039	mol	C(CC=C1c2cocc2)O1
-2040	mol	C(CCC1c2cocc2)O1
-2041	mol	C(CCC1C2=COCC2)O1
-2042	mol	C(CC=C1c2occc2)O1
-2043	mol	C(CCC1c2occc2)O1
-2044	mol	C(CCC1Cc2ccccc2)O1
-2045	mol	Cc(cc1cc2)oc1cc2
-2046	mol	CCCc1cc(Br)ccc1
-2047	mol	C(CCC1C=CC2CCCO2)O1
-2048	mol	C(CCC1C#CC2CC=CO2)O1
-2049	mol	C(CCC1C#CC2CCCO2)O1
-2050	mol	C(CCC1C=CC2CCOC2)O1
-2051	mol	C(CCC1C#CC2C=COC2)O1
-2052	mol	C(CC=C1C=Cc2cocc2)O1
-2053	mol	C(CC=C1C#Cc2cocc2)O1
-2054	mol	C(CCC1C=Cc2cocc2)O1
-2055	mol	C(CCC1C#Cc2cocc2)O1
-2056	mol	Cc(cc1ccc2)oc1c2Br
-2057	mol	Cc(cc1ccc2)oc1c2C=C
-2058	mol	Cc(cc1ccc2)oc1c2F
-2059	mol	Cc(cc1ccc2)oc1c2[SiH3]
-2060	mol	C(CCC1C#Cc2occc2)O1
-2061	mol	C(CCC1CCc2occc2)O1
-2062	mol	C(CCC1)CCCC1C2CCCCCCC2
-2063	mol	CCC(C1)CC(CC1C)NC=O
-2064	mol	CCCc1ccccc1
-2065	mol	C=CCc1ccccc1
-2066	mol	C=C=Cc1ccccc1
-2067	mol	C#CCc1ccccc1
-2068	mol	CC=Cc1ccccc1
-2069	mol	CC(=C)c1ccccc1
-2070	mol	CC(C)c1ccccc1
-2071	mol	CC#Cc1ccccc1
-2072	mol	CCCC1CCCCC1
-2073	mol	C=CCC1CCCCC1
-2074	mol	C=C=CC1CCCCC1
-2075	mol	C#CCC1CCCCC1
-2076	mol	CC=CC1CCCCC1
-2077	mol	CC(C)C1CCCCC1
-2078	mol	CC#CC1CCCCC1
-2079	mol	CCCc1ccccc1C
-2080	mol	C=CCc1ccccc1C
-2081	mol	C#CC(c1ccccc1)=C
-2082	mol	CC(C)c1ccccc1C
-2083	mol	CCCC1CCCCC1C
-2084	mol	C=CC(C1CCCCC1)=C
-2085	mol	C#CC(C1CCCCC1)=C
-2086	mol	CC(C)C1CCCCC1C
-2087	mol	CCC(C1CCCCC1)=C
-2088	mol	CCCc1ccccc1CC
-2089	mol	C=C=C(c1ccccc1)C=C
-2090	mol	C#CCc1ccccc1C#C
-2091	mol	CC=C(c1ccccc1)C=C
-2092	mol	CC=Cc1ccccc1C=C
-2093	mol	CC(C)c1ccccc1C=C
-2094	mol	CC(C)c1ccccc1C#C
-2095	mol	CCC(c1ccccc1)=C=C
-2096	mol	CCCc1ccccc1C=C
-2097	mol	CCCc1ccccc1C#C
-2098	mol	CCCC1CCCCC1CC
-2099	mol	C=C=C(C1CCCCC1)C=C
-2100	mol	C#CCC1CCCCC1C#C
-2101	mol	CC=C(C1CCCCC1)C#C
-2102	mol	CC(=CC1CCCCC1)C=C
-2103	mol	CC(=CC1CCCCC1)C#C
-2104	mol	CC(C)(C1CCCCC1)C#C
-2105	mol	CC(C)C1CCC(CC1)C=C
-2106	mol	CC(C)C1CCCCC1C=C
-2107	mol	CC(CC1CCCCC1)C#C
-2108	mol	CCC(C1CCCCC1)=CC
-2109	mol	CCC(C1CCCCC1)C#C
-2110	mol	CCCC1CCCCC1C=C
-2111	mol	CCCC1CCCCC1C#C
-2112	mol	CC(CC1CCCCC1)Cc2ccccc2
-2113	mol	CCCc1ccccc1CCC
-2114	mol	C=C=Cc1cc(ccc1)C=C=C
-2115	mol	C=C=Cc1ccc(cc1)C=C=C
-2116	mol	C=C=Cc1ccccc1C=C=C
-2117	mol	C#CC(c1ccccc1)=CC=C
-2118	mol	CC(C)c1ccccc1C(C)C
-2119	mol	CCCc1cc(ccc1)C=C=C
-2120	mol	CCCc1ccccc1C(C)C
-2121	mol	CCCC1CCCCC1CCC
-2122	mol	C#CC(C1CCCCC1)=CC=C
-2123	mol	CC=C(C1CCCCC1)C=C=C
-2124	mol	CC(CC1CCCCC1)C=C=C
-2125	mol	CC(CC1CCCCC1)CC=C
-2126	mol	CC(CC1CCCCC1)CC#C
-2127	mol	CCC(C1CCCCC1)=CC=C
-2128	mol	CCCC1CCCCC1C(C)C
-2129	mol	CCCc1ccccc1C(C)CC
-2130	mol	CCCc1ccccc1C(CC)CC
-2131	mol	CCCC1CCC(CC1)C(C)CCC
-2132	mol	CCCC1CC(CCC1)C(CC)C(C)C
-2133	mol	CCCC1CCCCC1C(CC)C(C)C
-2134	mol	CCCC1C(CCCC1CC)C(CC)=O
-2135	mol	CC(CC1CCCCC1)CC(C)C=O
-2136	mol	CCC(C1CCCCC1)CC(C)C=O
-2137	mol	CC(C)c1cc(ccc1)c(cc(C=O)c2CC)c(C)c2CC
-2138	mol	CC(C)c1ccc(cc1)c(cc(C=O)c2CC)c(C)c2CC
-2139	mol	CC(C)c1ccccc1c(cc(C=O)c2CC)c(C)c2CC
-2140	mol	CCCc1cc(ccc1)c(cc(C=O)c2CC)c(C)c2CC
-2141	mol	CCCc1ccc(cc1)c(cc(C=O)c2CC)c(C)c2CC
-2142	mol	CCCc1ccccc1c(cc(C=O)c2CC)c(C)c2CC
-2143	mol	CC(C)c1ccccc1CCC=O
-2144	mol	CCCc1ccccc1C(CC)=O
-2145	mol	CCCc1ccccc1CCC=O
-2146	mol	CC(CC1CCCCC1)CCC=O
-2147	mol	CCCC1CCCC(C1CC)C=O
-2148	mol	CCC(c1ccccc1)=C=CO
-2149	mol	CC(CC1CCCCC1)CC=O
-2150	mol	CCC(C1C)CC(CC1C)C=O
-2151	mol	CCC(C1CCCCC1)CC=O
-2152	mol	CC(C(C1CCCCC1)CC=O)C=O
-2153	mol	CCC(C1CCCCC1)C(C=O)C=O
-2154	mol	CC(CC1CCCCC1)CC(=O)N
-2155	mol	CC(CC1CCCCC1)C(C=O)NC=O
-2156	mol	CC(CC1CCCCC1)CC(O)=O
-2157	mol	CCCc1ccccc1Cl
-2158	mol	CC(C)C1CCCCC1C#N
-2159	mol	CC(CC1CCCCC1)C(N)NC=O
-2160	mol	CC(CC1CCCCC1)C(N)NC(O)=O
-2161	mol	Cc(cc1C)cc(C)c1C=O
-2162	mol	C=C=C(c1ccccc1)C=O
-2163	mol	CC=C(c1ccccc1)C=O
-2164	mol	CC(C)c1ccccc1C=O
-2165	mol	CCCc1ccccc1C=O
-2166	mol	CC(C)(C1CCCCC1)C=O
-2167	mol	CC(C)C1CC(CCC1)C=O
-2168	mol	CC(C)C1CCC(CC1)C=O
-2169	mol	CC(C)C1CCCCC1C=O
-2170	mol	CC(CC1CCCCC1)C=O
-2171	mol	CCC(C1CCCCC1)=CO
-2172	mol	CCC(C1CCCCC1)C=O
-2173	mol	CCCC1CC(CCC1)C=O
-2174	mol	CCCC1CCC(CC1)C=O
-2175	mol	CCCC1CCCCC1C=O
-2176	mol	CCC(C1CCCCC1)(C=O)C(C)=O
-2177	mol	CC(C)c1ccc(cc1)C(=O)C=O
-2178	mol	CC(CC1CCCCC1)COC=O
-2179	mol	CC(CC1CCCCC1C=O)C=O
-2180	mol	CC(C)c1ccc(cc1)C(=O)N
-2181	mol	CCCc1cc(ccc1)C(=O)N
-2182	mol	CC(C)C1CCCCC1C(=O)N
-2183	mol	CCC(C1CCCCC1)C(=O)N
-2184	mol	CCC(C1CCCCC1)(C=O)NC=O
-2185	mol	CC=C(c1ccccc1)C(O)=O
-2186	mol	CC(C)c1ccccc1C(O)=O
-2187	mol	CC(Cc1ccccc1)C(O)=O
-2188	mol	CCCc1ccccc1C(O)=O
-2189	mol	CC(C)(C1CCCCC1)C(O)=O
-2190	mol	CC(C)C1CC(CCC1)C(O)=O
-2191	mol	CC(C)C1CCC(CC1)C(O)=O
-2192	mol	CC(C)C1CCCCC1C(O)=O
-2193	mol	CC(CC1CCCCC1)C(O)=O
-2194	mol	CCC(C1CCCCC1)C(O)=O
-2195	mol	CCC(C1CCCCC1C=O)=O
-2196	mol	CCCC1CC(CCC1)C(O)=O
-2197	mol	CCCC1CCCCC1C(O)=O
-2198	mol	CCCc1ccccc1F
-2199	mol	CC(C)c1ccccc1F
-2200	mol	CCCc1ccccc1N
-2201	mol	CC(C)c1ccccc1N
-2202	mol	CC(C)C1CCCCC1N
-2203	mol	CCC(c1ccccc1)NC=O
-2204	mol	CCC(C1CCCCC1)NC=O
-2205	mol	CCCC1CCCCC1NC=O
-2206	mol	CC(C)c1cccc(c1N)NC=O
-2207	mol	C=C=Cc1cc(ccc1)N(=O)=O
-2208	mol	C=C=Cc1ccc(cc1)N(=O)=O
-2209	mol	C=C=Cc1ccccc1N(=O)=O
-2210	mol	CCCC1CCCCC1N(=O)=O
-2211	mol	Cc(cc1C)cc(C)c1O
-2212	mol	CCCc1ccccc1O
-2213	mol	C=CCc1ccccc1O
-2214	mol	C=CC(c1ccccc1)=O
-2215	mol	C#CCc1ccccc1O
-2216	mol	C#CC(c1ccccc1)=O
-2217	mol	CC=Cc1ccccc1O
-2218	mol	CC(=C)c1ccccc1O
-2219	mol	CC(C)c1ccccc1O
-2220	mol	CC#Cc1ccccc1O
-2221	mol	CCCC1CCCCC1O
-2222	mol	C=CC(C1CCCCC1)=O
-2223	mol	C=CCC1CC(C)=CC1=O
-2224	mol	C#CC(C1CCCCC1)=O
-2225	mol	CC(C)C1CCCCC1O
-2226	mol	CCC(C1CCCCC1)=O
-2227	mol	CC(CC1CCCCC1)OC#C
-2228	mol	CCCC1CCCCC1OC=C
-2229	mol	CC(C)c1ccccc1OC=O
-2230	mol	CCCc1ccccc1OC=O
-2231	mol	CC(C)(C1CCCCC1)OC=O
-2232	mol	CC(C)C1C(CCCC1O)C=O
-2233	mol	CC(C)C1CC(CCC1)OC=O
-2234	mol	CC(C)C1CCC(CC1)OC=O
-2235	mol	CC(C)C1CCCCC1OC=O
-2236	mol	CC(CC1CCCCC1)OC=O
-2237	mol	CCC(C1CCCCC1)OC=O
-2238	mol	CCCC1CC(CCC1)OC=O
-2239	mol	CCCC1CCC(CC1)OC=O
-2240	mol	CCCC1CCCC(C1O)C=O
-2241	mol	CCCC1CCCCC1OC=O
-2242	mol	CC(C)c1cc(ccc1O)NC=O
-2243	mol	CC(C)c1cccc(c1O)NC=O
-2244	mol	CC(C)c1ccccc1[SiH3]
-2245	mol	CC(C)c1ccc(C)cc1C
-2246	mol	CCCc1ccc(C)cc1C
-2247	mol	CC(C)c1cc(C)ccc1C
-2248	mol	CCCc1cc(C)ccc1C
-2249	mol	CC(C)c1cc(C)ccc1C=C
-2250	mol	CCCc1cc(C)ccc1CC
-2251	mol	CCCc1cc(C)ccc1C(C(C)C)=O
-2252	mol	CC(C)c1ccc(C)cc1C=O
-2253	mol	CC(C)c1cc(C)ccc1C=O
-2254	mol	CCCc1cc(C)ccc1C=O
-2255	mol	CCCc1cc(C)ccc1C(=O)C(O)=O
-2256	mol	CCc(c1)cc(C=C)cc1N
-2257	mol	CCCc1ccc(C)cc1N
-2258	mol	CC(C)C1C(C)CCCC1N
-2259	mol	CCC(C1)CC(CC)CC1N
-2260	mol	CCc(c1)cc(C=C)cc1O
-2261	mol	CC(C)c1ccc(C)cc1O
-2262	mol	CC(C)c1cc(C)ccc1O
-2263	mol	CCCc1cc(C)ccc1O
-2264	mol	CC(C)c1c(C)cccc1O
-2265	mol	CCCc1c(C)cccc1O
-2266	mol	CC(C)C1C(C)CCCC1O
-2267	mol	CCCC1C(C)CCCC1O
-2268	mol	CC(C)c1ccc(C=C)cc1
-2269	mol	CCCc1ccc(C=C)cc1
-2270	mol	CC(C)c1cc(C=C)ccc1
-2271	mol	CC(C)c1cc(C#C)ccc1
-2272	mol	CCCc1cc(C=C)ccc1
-2273	mol	CCCc1cc(C#C)ccc1
-2274	mol	CCCC1CCCCCCC1
-2275	mol	CC(C)C1CCCCCCC1
-2276	mol	CCCc1cc(CC)ccc1C
-2277	mol	CC(CC1CCCCCCC1)CNC=O
-2278	mol	CCC(C1CCCCCCC1)C(O)=O
-2279	mol	CC(C)c1cccc(C=C)c1F
-2280	mol	CC(C)c1c(C=C)cccc1N
-2281	mol	CCCC1CC(CCCCC1)NONC=O
-2282	mol	CCc(c1)cc(C(C)C)cc1O
-2283	mol	CCCc1cccc(C=C)c1O
-2284	mol	CCCc1ccc(C=C)cc1O
-2285	mol	CCCc1ccc(CC)cc1O
-2286	mol	CC(C)c1cc(C=C)ccc1O
-2287	mol	CCCc1cc(C=C)ccc1O
-2288	mol	CCCc1cc(CC)ccc1O
-2289	mol	C=CCc1c(C#C)cccc1O
-2290	mol	CC(C)c1c(C=C)cccc1O
-2291	mol	CCCc1c(C=C)cccc1O
-2292	mol	CCCc1c(C#C)cccc1O
-2293	mol	CCCc1c(CC)cccc1O
-2294	mol	CCCC1C(CC)CCCC1O
-2295	mol	CCCC1CC(CC)CCC1O
-2296	mol	CC(C)c1ccc(C(C)C)cc1
-2297	mol	CCCc1ccc(C(C)C)cc1
-2298	mol	CCCc1ccc(CCC)cc1
-2299	mol	CC(C)c1cc(C(C)C)ccc1
-2300	mol	CCCc1cc(C(C)C)ccc1
-2301	mol	CCCc1cc(C(C)C)ccc1C
-2302	mol	CCCc1cc(C(C)CC)ccc1
-2303	mol	CCCc1cc(CC(C)C)ccc1C=O
-2304	mol	CCCc1cc(C)cc(CCCC(O)=O)c1C=O
-2305	mol	CCCc1cc(C(C)C)cc(C=O)c1C=O
-2306	mol	CCCc1cc(CC(C)C)co1
-2307	mol	CCCC1CC(CC(C)C)=CO1
-2308	mol	CCc(c1C)c(C(C)C)c(C=O)cc1C
-2309	mol	CCCc1cc(C(C)CC)oc1
-2310	mol	CCCc1cc(CC(C)C)oc1
-2311	mol	CCCc1cc(C)cc(C=O)c1C
-2312	mol	CCCc1cc(C)cc(C=O)c1C(C)CC
-2313	mol	CCCc1cc(C)cc(C=O)c1C=O
-2314	mol	CCCc1ccc(C(CC)=O)cc1
-2315	mol	CCCc1ccc(CCC=O)cc1
-2316	mol	CC(C)c1c(C(C)C)c(C=O)c(C)cc1C
-2317	mol	CCCc1c(C(C)C)c(C=O)c(C)cc1C
-2318	mol	CCCc1cc(C)cc(C(O)=O)c1C=O
-2319	mol	CC(C)c1cc(C=C)co1
-2320	mol	CC(C)c1cc(C#C)co1
-2321	mol	CCCc1cc(C=C)co1
-2322	mol	CCCc1cc(C#C)co1
-2323	mol	CCCC1(CC)CCCO1
-2324	mol	CCCC1CC(CC)=CO1
-2325	mol	CC(C)c1cc(C(C)C)oc1
-2326	mol	CCCc1cc(CCC)oc1
-2327	mol	CC(C)c1cccc(C=O)c1C
-2328	mol	CCCc1cccc(C=O)c1C
-2329	mol	CCCc1c(C=C=C)coc1Cl
-2330	mol	CC(C)c1cccc(C=O)c1C=O
-2331	mol	CCCc1cccc(C=O)c1C=O
-2332	mol	CCCc1cccc(C=O)c1O
-2333	mol	CCCc1c(C=C)c(C)oc1O
-2334	mol	CC(C)c1ccc(C(C)=O)cc1
-2335	mol	CCCc1c(C)cc(C=O)cc1C
-2336	mol	CCc(c1C)c(C)c(C=O)cc1O
-2337	mol	CCCc1cc(C(CC)=O)ccc1
-2338	mol	CCCc1cc(CCC=O)ccc1
-2339	mol	CCCc1cc(C)c(C=O)c(C=O)c1C
-2340	mol	CCCc1cccc(C(O)=O)c1C=O
-2341	mol	CCCc1cc(C)c(C(O)=O)cc1C=O
-2342	mol	CCCc1c(CCCC(O)=O)c(C=O)ccc1C
-2343	mol	CCCc1ccccn1
-2344	mol	C=C=Cc1ccccn1
-2345	mol	C#CCc1ccccn1
-2346	mol	CC(C)c1ccccn1
-2347	mol	C=C=CC1CCCCN1
-2348	mol	C=C=C(c1ccccn1)C=C
-2349	mol	CC(CC1CCCCN1)C#C
-2350	mol	CC(CC1CCCCN1)C#N
-2351	mol	C#CC(c1ccccn1)N(=O)=O
-2352	mol	CCCC1(C)CCCO1
-2353	mol	CCCC1(C)CC=CO1
-2354	mol	CC(C)c1cc(C=C)oc1
-2355	mol	CCCc1cc(C=C)oc1
-2356	mol	CCCC1(C)C=C(C)OC1
-2357	mol	CCCc1c(C#C)coc1C
-2358	mol	CCCc1cc(C=C)oc1C=C
-2359	mol	CCCc1c(C=C)coc1CC
-2360	mol	Cc(cc1C)cc(C=O)c1C=O
-2361	mol	CC(C)c1ccc(C=O)cc1
-2362	mol	CCCc1ccc(C=O)cc1
-2363	mol	CC(C)c1ccc(C=O)cc1C(C)C
-2364	mol	CC(Cc1ccc(C=O)cc1)C(C)=O
-2365	mol	CCCc1ccc(C=O)cc1C=O
-2366	mol	CC(C)c1ccc(C=O)cc1O
-2367	mol	CC(C)c1cc(C(C)=O)ccc1
-2368	mol	CCCc1cc(C(C)=O)ccc1C
-2369	mol	CC(C)c1c(C)c(C=O)ccc1C
-2370	mol	CCCc1c(C)c(C=O)ccc1C
-2371	mol	CCCc1cc(C(C)=O)ccc1C(C)C
-2372	mol	CCCc1cc(C(C)=O)ccc1O
-2373	mol	CCCc1c(C)c(C=O)c(C(C)C)cc1C
-2374	mol	CC#Cc1ccc(C(O)=O)cc1
-2375	mol	CCCc1ccc(C(O)=O)cc1
-2376	mol	CCCc1cc(CC(O)=O)ccc1C=O
-2377	mol	CC(C)c1ccc(F)cc1O
-2378	mol	CC(C)C1CC(Cl)=CO1
-2379	mol	CCCC1CC(Cl)=CO1
-2380	mol	C=C=Cc1cccnc1
-2381	mol	CC(C)c1cccnc1
-2382	mol	C=C=CC1CCCNC1
-2383	mol	CC(C)C1CCCNC1
-2384	mol	C=C=C(c1cccnc1)C=C
-2385	mol	CC(CC1CCCNC1)C#C
-2386	mol	CCCc1ccc(N)cc1C
-2387	mol	CC(C)c1ccc(N)cc1O
-2388	mol	CC(C)c1cc(C#N)ccc1Br
-2389	mol	CCCC1CCCO1
-2390	mol	C=CCC1CCCO1
-2391	mol	C=C=CC1CCCO1
-2392	mol	C=C=CC1=CCCO1
-2393	mol	C=C=CC1CC=CO1
-2394	mol	C=CCC1CC=CO1
-2395	mol	C#CCC1CCCO1
-2396	mol	C#CCC1CC=CO1
-2397	mol	CC=CC1CCCO1
-2398	mol	CC=CC1CC=CO1
-2399	mol	CC(=C)C1=CCCO1
-2400	mol	CC(C)C1CCCO1
-2401	mol	CC(C)C1=CCCO1
-2402	mol	CC(C)C1CC=CO1
-2403	mol	CC(CC1C=C)=CO1
-2404	mol	CC#CC1CCCO1
-2405	mol	CC#CC1=CCCO1
-2406	mol	CC#CC1CC=CO1
-2407	mol	CCCC1=CCCO1
-2408	mol	CCCC1CC=CO1
-2409	mol	C#CC(C1CC=CO1)=C
-2410	mol	C#CC(C1CCCO1)=C
-2411	mol	CCC(C1CCCO1)=C
-2412	mol	C=C=C(C1CC=CO1)C=C
-2413	mol	C=C=C(C1CCCO1)C=C
-2414	mol	C=CC(C1CC=CO1)C=C
-2415	mol	C#CC(C1CC=CO1)=C=C
-2416	mol	C#CCC1(CC=CO1)C#C
-2417	mol	C#CCC1(CCCO1)C#C
-2418	mol	CC=C(C1CCCO1)C=C
-2419	mol	CC=C(C1CCCO1)C#C
-2420	mol	CC=CC1(CC=CO1)C=C
-2421	mol	CC(=CC1CC=CO1)C#C
-2422	mol	CC(C)(C1CC=CO1)C#C
-2423	mol	CC(C)(C1CCCO1)C=C
-2424	mol	CC(C)(C1CCCO1)C#C
-2425	mol	CC(C)C1(CC=CO1)C#C
-2426	mol	CC(C)C1(CCCO1)C=C
-2427	mol	CC(C)C1(CCCO1)C#C
-2428	mol	CC(C)C1CC(=CO1)C=C
-2429	mol	CC(CC1CC=CO1)C=C
-2430	mol	CC(CC1CCCO1)C#C
-2431	mol	CC#CC1(CC=CO1)C#C
-2432	mol	CCC(C1CC=CO1)C=C
-2433	mol	CCC(C1CC=CO1)C#C
-2434	mol	CCC(C1CCCO1)C#C
-2435	mol	CCCC1=C(CCO1)C#C
-2436	mol	CCCC1(CCCO1)C#C
-2437	mol	CCCC1CC(=CO1)C=C
-2438	mol	C#CC(C1CC=CO1)=CC2CCCCC2
-2439	mol	CC(C)c1cc(co1)C=C=C
-2440	mol	C=C=CC1(CC=CO1)C=C=C
-2441	mol	C=C=CC1(CCCO1)C=C=C
-2442	mol	C=C=CC1CC(=CO1)C=C=C
-2443	mol	C=C=CC1CC(CO1)C=C=C
-2444	mol	CC(C)(C1CCCO1)C=C=C
-2445	mol	CC(C)(C1CCCO1)CC=C
-2446	mol	CC(CC1CC=CO1)CC#C
-2447	mol	CC(CC1CCCO1)CC=C
-2448	mol	CC(CC1CCCO1)CC#C
-2449	mol	CCC(C1CC=CO1)=CC=C
-2450	mol	CCC(C1CCCO1)CC#C
-2451	mol	C=CC(C1=CCCO1)C#CC#C
-2452	mol	CC(C(C1CCCO1)C#C)C#C
-2453	mol	CC(CC1CC=CO1)C(C)C=C
-2454	mol	CCC(C1CC=CO1)=C=CC=C
-2455	mol	CCCC1(CCCO1)C(C)CC
-2456	mol	CCCC1(CCCO1)C#CC#C
-2457	mol	C=CC(C1CC(=CO1)C=C=C)=O
-2458	mol	CC(C)(C1CCCO1)C=CO
-2459	mol	CC(CC1CC=CO1)CC=O
-2460	mol	CC(CC1CCCO1)CC=O
-2461	mol	CCC(C1CCCO1)CC=O
-2462	mol	CC(CC1CC=CO1)CC(O)=O
-2463	mol	CC(CC1CCCO1)CC(O)=O
-2464	mol	CC(C)(C1CCCO1)C=C[SiH3]
-2465	mol	CCC(C1CCCO1)C=C[SiH3]
-2466	mol	CC(CC1CCCO1)C#N
-2467	mol	CCCC1(CC=CO1)C#N
-2468	mol	CCCC1(CCCO1)C#N
-2469	mol	CC(CC1CCCO1)CN(=O)=O
-2470	mol	C=C=C(C1CC=CO1)C=O
-2471	mol	CC(C)(C1CC=CO1)C=O
-2472	mol	CC(C)(C1CCCO1)C=O
-2473	mol	CC(C)C1(CCCO1)C=O
-2474	mol	CC(CC1=CCCO1)C=O
-2475	mol	CC(CC1CC=CO1)C=O
-2476	mol	CC(CC1CCCO1)C=O
-2477	mol	CCC(C1CC=CO1)=CO
-2478	mol	CCC(C1CC=CO1)C=O
-2479	mol	CCC(C1CCCO1)=CO
-2480	mol	CCC(C1CCCO1)C=O
-2481	mol	CCCC1(CC=CO1)C=O
-2482	mol	CC#CC1(CC=CO1)C(=O)C#C
-2483	mol	CC(CC1CCCO1)COC=O
-2484	mol	CCC(C1CC=CO1)(C=O)C=O
-2485	mol	CC=C(C1CCCO1)C(O)=O
-2486	mol	CC(C)(C1CCCO1)C(O)=O
-2487	mol	CC(CC1CCCO1)C(O)=O
-2488	mol	CCC(C1CC=CO1)=C(O)O
-2489	mol	CCC(C1CC=CO1)C(O)=O
-2490	mol	CCCC1(CC=CO1)C(O)=O
-2491	mol	C=C=CC1(CCCO1)N(=O)=O
-2492	mol	CC(=CC1CC=CO1)N(=O)=O
-2493	mol	C=CC(C1CC=CO1)=O
-2494	mol	C=CC(C1CCCO1)=O
-2495	mol	C#CC(C1CC=CO1)=O
-2496	mol	C#CC(C1CCCO1)=O
-2497	mol	CCC(C1CC=CO1)=O
-2498	mol	CCC(C1CCCO1)=O
-2499	mol	CC(C)(C1CCCO1)OC=O
-2500	mol	CCCC1(CCCO1)OC=O
-2501	mol	CCCC1CC(CO1)OC=O
-2502	mol	C=C=C(C1CC=CO1)[SiH2]N(=O)=O
-2503	mol	CCCc1cc(C)oc1CC
-2504	mol	CCCC1(C)CCOC1CC
-2505	mol	CCCc1cc(C)oc1C(O)=O
-2506	mol	CCCC1CC(C)OC1OC=O
-2507	mol	CCc(c1)cc(C=O)cc1C
-2508	mol	CC(C)c1ccc(O)cc1C
-2509	mol	CCCc1ccc(O)cc1C
-2510	mol	CCCC1CCC(O)CC1C
-2511	mol	CC(C)c1ccc(O)cc1C=C
-2512	mol	CCCc1ccc(O)cc1C=C
-2513	mol	CCCc1c(C=C)occ1C=C
-2514	mol	CCCC1=C(CC)OCC1CC
-2515	mol	CC(C)c1ccc(O)cc1F
-2516	mol	CCc(c1)cc(C=O)cc1O
-2517	mol	CC(C)c1ccc(O)cc1O
-2518	mol	CCCc1ccc(O)cc1O
-2519	mol	CC(C)c1cc(C=O)ccc1
-2520	mol	CCCc1cc(C=O)ccc1
-2521	mol	CC(C)c1cc(C=O)ccc1C
-2522	mol	CCCc1cc(C=O)ccc1C=O
-2523	mol	CCCc1cc(C=O)ccc1C(O)=O
-2524	mol	CC(C)c1cc(C=O)ccc1O
-2525	mol	CC(C)c1cc(C=O)c(C)cc1C
-2526	mol	CCCc1cc(C=O)c(C)cc1C
-2527	mol	CC(C)c1cc(C=O)c(CCCC(O)=O)cc1C
-2528	mol	CCCc1cc(C=O)c(CCCC(O)=O)cc1C
-2529	mol	CC(C)c1cc(C=O)cc(C=O)c1
-2530	mol	CCCc1cc(C=O)cc(C=O)c1
-2531	mol	CCCc1cc(C=O)cc(C(O)=O)c1C=O
-2532	mol	CC(C)c1cc(C=O)c(C=O)c(CC)c1C
-2533	mol	CCCc1cc(C=O)c(C=O)c(CC)c1C
-2534	mol	CCCc1cc(C=O)c(C=O)c(CC)c1C=O
-2535	mol	CCCc1ccc(OC=O)cc1
-2536	mol	CC(C)c1cc(C=O)oc1
-2537	mol	CCCc1cc(C=O)oc1
-2538	mol	CC(C)c1cc(C(O)=O)ccc1
-2539	mol	CCCc1cc(C(O)=O)ccc1
-2540	mol	CCCc1cc(C(O)=O)ccc1C=O
-2541	mol	CCCc1cc(C(O)=O)co1
-2542	mol	CC(C)c1cc(C(O)=O)oc1
-2543	mol	CCCc1cc(C(O)=O)oc1
-2544	mol	CC(C)c1cc(C(O)=O)oc1C
-2545	mol	Cc(cc1C)cc([SiH3])c1F
-2546	mol	CCCc1ccc([SiH3])cc1
-2547	mol	CC(C)c1cc(F)ccc1F
-2548	mol	CC(C)c1cc(F)ccc1O
-2549	mol	CCCc1ccncc1
-2550	mol	C=C=Cc1ccncc1
-2551	mol	CC(C)c1ccncc1
-2552	mol	CCCC1CCNCC1
-2553	mol	C=C=CC1CCNCC1
-2554	mol	CC(C)C1CCNCC1
-2555	mol	C=C=C(c1ccncc1)C=C
-2556	mol	CC(CC1CCNCC1)CC=C
-2557	mol	CC(CC1CCNCC1)C#N
-2558	mol	CC(=Cc1ccncc1)N(=O)=O
-2559	mol	C=C=CC1(CCNCC1)N(=O)=O
-2560	mol	CC(C)c1cc(N)ccc1N
-2561	mol	CCCc1cc(N)oc1CC
-2562	mol	CCCc1cc(N)oc1C=O
-2563	mol	CCCC1CCOC1
-2564	mol	C=CCC1CCOC1
-2565	mol	C=C=CC1CCOC1
-2566	mol	C=C=CC1C=COC1
-2567	mol	C=CCC1C=COC1
-2568	mol	C#CCC1C=COC1
-2569	mol	CC=CC1C=COC1
-2570	mol	CC(C)C1CCOC1
-2571	mol	CC(C)C1C=COC1
-2572	mol	CC#CC1CCOC1
-2573	mol	CCCC1C=COC1
-2574	mol	CCCc1ccoc1Br
-2575	mol	CCCc1ccoc1C
-2576	mol	CC(C)c1ccoc1C
-2577	mol	C#CC(C1C=COC1)=C
-2578	mol	C#CC(C1CCOC1)=C
-2579	mol	CCC(C1CCOC1)=C
-2580	mol	Cc(cc1C#C)oc1C=C
-2581	mol	CCCc1ccoc1CC
-2582	mol	CC(C)c1ccoc1C=C
-2583	mol	CCCc1ccoc1C=C
-2584	mol	C=C=C(C1C=COC1)C=C
-2585	mol	C=C=C(C1CCOC1)C=C
-2586	mol	CC=C(C1C=COC1)C=C
-2587	mol	CC=C(C1CCOC1)C#C
-2588	mol	CC(=CC1CCOC1)C=C
-2589	mol	CC(C)(C1CCOC1)C=C
-2590	mol	CC(CC1C=COC1)C=C
-2591	mol	CC(CC1CCOC1)C#C
-2592	mol	CCC(C1C=COC1)=C=C
-2593	mol	CCC(C1CCOC1)=CC
-2594	mol	CCCC1C=COC1C=C
-2595	mol	CCCC1CC(OC1)C=C
-2596	mol	CCCC1CCOC1C#C
-2597	mol	CCCc1ccoc1CCC
-2598	mol	C=C=Cc1cc(oc1)C=C=C
-2599	mol	C=C=Cc1ccoc1C=C=C
-2600	mol	CC(C)c1ccoc1C(C)C
-2601	mol	CCCc1cc(oc1)C=C=C
-2602	mol	C#CC(C1CCOC1)=CC=C
-2603	mol	CC(C)(C1CCOC1)CC=C
-2604	mol	CC(CC1CCOC1)CC=C
-2605	mol	CCC(C1CCOC1)CC=C
-2606	mol	CCC(C1CCOC1)CC#C
-2607	mol	CC(C)c1ccoc1C(C)(C)C
-2608	mol	CCCc1ccoc1CC(C)C
-2609	mol	CC(CC1CCOC1)(C#C)C#C
-2610	mol	CCC(C1C=COC1)=C=CC=C
-2611	mol	CCC(C1C=COC1)=C=CC#C
-2612	mol	CCC(C1CCOC1)C#CC#C
-2613	mol	CCCC1CC(OC1)C(C)CC
-2614	mol	CCCC1CCOC1(C#C)C=C
-2615	mol	CC(CC1C=COC1)CC=O
-2616	mol	CC(CC1CCOC1)CC=O
-2617	mol	CCC(C1CCOC1)=CC=O
-2618	mol	CC(CC1C=COC1)CC(O)=O
-2619	mol	CC(CC1CCOC1)CC(O)=O
-2620	mol	CCC(C1CCOC1)CC(O)=O
-2621	mol	CC(C)c1ccoc1Cl
-2622	mol	CCCc1ccoc1C#N
-2623	mol	CCCC1CCOC1(C)N(=O)=O
-2624	mol	Cc(cc1C#C)oc1C=O
-2625	mol	CC(C)c1ccoc1C=O
-2626	mol	CCCc1ccoc1C=O
-2627	mol	CC=C(C1C=COC1)C=O
-2628	mol	CC(C)(C1CCOC1)C=O
-2629	mol	CC(CC1C=COC1)C=O
-2630	mol	CCC(C1C=COC1)C=O
-2631	mol	CCC(C1CCOC1)=CO
-2632	mol	CCC(C1CCOC1)C=O
-2633	mol	CCCC1C=COC1C=O
-2634	mol	CC(C)C1C=COC1C(=O)C=C
-2635	mol	CCC(C1CCOC1)=C(O)C=C
-2636	mol	CCCC1C=COC1C(=O)C=C
-2637	mol	CC(C)c1ccoc1C(O)=O
-2638	mol	CCCc1ccoc1C(O)=O
-2639	mol	CC(CC1CCOC1)C(O)=O
-2640	mol	CCC(C1C=COC1)=C(O)O
-2641	mol	CCC(C1C=COC1)C(O)=O
-2642	mol	CCC(C1CCOC1)C(O)=O
-2643	mol	CC(C)C1CCOC1(F)F
-2644	mol	CCCc1cc(oc1)N(=O)=O
-2645	mol	CCC(C1CCOC1)N(=O)=O
-2646	mol	CCCc1ccoc1O
-2647	mol	CC(C)c1ccoc1O
-2648	mol	C=CC(C1C=COC1)=O
-2649	mol	C=CC(C1CCOC1)=O
-2650	mol	C#CC(C1C=COC1)=O
-2651	mol	C#CC(C1CCOC1)=O
-2652	mol	CC(C)C1CCOC1O
-2653	mol	CCC(C1CCOC1)=O
-2654	mol	CCCC1C=COC1O
-2655	mol	CC(C)c1ccoc1OC=O
-2656	mol	CCCc1ccoc1OC=O
-2657	mol	CCC(C1CCOC1)OC=O
-2658	mol	CCCC1C=COC1OC=O
-2659	mol	CCCC1CCOC1OC=O
-2660	mol	CC(C)c1c(C)occ1C
-2661	mol	CC(C)c1cc(O)ccc1C
-2662	mol	CCCc1cc(O)ccc1C
-2663	mol	CC(C)c1cc(O)ccc1C=C
-2664	mol	CCCc1cc(O)ccc1Cl
-2665	mol	CCCc1cc(O)ccc1C=O
-2666	mol	CC(C)c1cc(O)ccc1O
-2667	mol	CCCc1cc(O)ccc1O
-2668	mol	CCCc1c(C=O)cccc1C
-2669	mol	CCCc1c(C=O)cccc1CC
-2670	mol	CCCc1c(C=O)cccc1O
-2671	mol	CC(C)c1c(C=O)c(C)ccc1C
-2672	mol	CC(C)c1cc(OC=C)co1
-2673	mol	CCCC1CC(O)=CO1
-2674	mol	CCc(c1)cc(OC=O)cc1C
-2675	mol	CC(C)c1cc(OC=O)ccc1
-2676	mol	CCCc1cc(OC=O)ccc1
-2677	mol	CC(C)c1cc(OC=O)co1
-2678	mol	CCCc1cc(OC=O)co1
-2679	mol	CCCC1CC(OC=O)=CO1
-2680	mol	CC(C)c1cc(OC=O)oc1
-2681	mol	CCCc1cc(OC=O)oc1
-2682	mol	CC(C)c1cc(OC=O)oc1Br
-2683	mol	CCCc1cc(OC=O)oc1Br
-2684	mol	CCCc1cc(OC=O)oc1C
-2685	mol	CCCc1cc(O)oc1CC
-2686	mol	CCCC1CC(O)OC1O
-2687	mol	CC(C)c1c(C=O)occ1C#C
-2688	mol	CCc(c1)cc([SiH3])cc1F
-2689	mol	CC(C)C1CC([SiH3])=CO1
-2690	mol	CCCC1(CC([SiH3])CO1)C#N
-2691	mol	CCCc1cc([SiH3])oc1C=C=C
-2692	mol	CCCc1cnccc1C=C=C
-2693	mol	CC(C)C1CN(CCC1)C(O)=O
-2694	mol	CC(C)c1c(N)cccc1N
-2695	mol	CCCc1c(N)cccc1O
-2696	mol	CC(C)c1c(N)cc(O)cc1N
-2697	mol	Cc(cc1C)oc1C=C
-2698	mol	C=C=Cc1coc2c1cccc2
-2699	mol	CCCc1cocc1
-2700	mol	C=CCc1cocc1
-2701	mol	C=C=Cc1cocc1
-2702	mol	C#CCc1cocc1
-2703	mol	CC=Cc1cocc1
-2704	mol	CC(=C)c1cocc1
-2705	mol	CC(C)c1cocc1
-2706	mol	CC#Cc1cocc1
-2707	mol	C=C=CC1=COCC1
-2708	mol	CC(C)C1=COCC1
-2709	mol	CC#CC1=COCC1
-2710	mol	CCCC1=COCC1
-2711	mol	CC#Cc1cocc1Br
-2712	mol	CCCc1cocc1C
-2713	mol	C=CC(c1cocc1)=C
-2714	mol	C#CC(c1cocc1)=C
-2715	mol	CC(C)c1cocc1C
-2716	mol	CCCC1=COCC1C
-2717	mol	CCCc1cocc1CC
-2718	mol	C=C=C(c1cocc1)C=C
-2719	mol	C#CC(c1cocc1)=C=C
-2720	mol	CC(=Cc1cocc1)C=C
-2721	mol	CC(=Cc1cocc1)C#C
-2722	mol	CC(C)c1cocc1C=C
-2723	mol	CC(C)c1cocc1C#C
-2724	mol	CCC(c1cocc1)=C=C
-2725	mol	CCCc1cocc1C=C
-2726	mol	CCCc1cocc1C#C
-2727	mol	CCCC1=COCC1CC
-2728	mol	CCCC1=C(OCC1)C=C
-2729	mol	CCCC1=COCC1C=C
-2730	mol	CCCc1cocc1CCC
-2731	mol	C=C=Cc1cocc1C=C=C
-2732	mol	CC(C)c1cocc1C(C)C
-2733	mol	CCC(c1cocc1)=CC=C
-2734	mol	CCC(c1cocc1)=CC#C
-2735	mol	CCCc1cocc1C=C=C
-2736	mol	CCCc1cocc1C(C)C
-2737	mol	CCCc1cocc1C(C)CC
-2738	mol	CCCc1cocc1CC(C)C
-2739	mol	CCCC1COCC1C(C)CC
-2740	mol	CCC(c1cocc1)=C(C)C=O
-2741	mol	CCCC1=C(OCC1CC)C=O
-2742	mol	CCC(c1cocc1)=CC=O
-2743	mol	CCCc1cocc1Cl
-2744	mol	CCCC1COCC1Cl
-2745	mol	CC=C(c1cocc1)C=O
-2746	mol	CC(C)c1cocc1C=O
-2747	mol	CCCc1cocc1C=O
-2748	mol	C=C=CC1=C(OCC1)C(=O)C=C
-2749	mol	CCCc1cocc1C(=O)C=O
-2750	mol	CC=C(c1cocc1)C(O)=O
-2751	mol	CC(C)c1cocc1C(O)=O
-2752	mol	CCCc1cocc1C(O)=O
-2753	mol	CC(C)C1COCC1C(O)=O
-2754	mol	C=C=C(c1cocc1)N
-2755	mol	C=C=C(c1cocc1)N(=O)=O
-2756	mol	CCCc1cocc1O
-2757	mol	C=CC(c1cocc1)=O
-2758	mol	CC(C)c1cocc1O
-2759	mol	CC(C)C1COCC1O
-2760	mol	CC(C)c1cocc1OC=O
-2761	mol	CCCc1cocc1OC=O
-2762	mol	CCCC1=C(OCC1)OC=O
-2763	mol	CCCC1=COCC1OC=O
-2764	mol	CCCC1(C)OCCC1C
-2765	mol	CCCC1(C)OC(CC1)C=O
-2766	mol	CC(C)c1coc(C=C)c1C
-2767	mol	CCCc1coc(C=C)c1C
-2768	mol	CCCc1coc(C#C)c1C=C
-2769	mol	CC(C)c1c(O)cccc1O
-2770	mol	CCCc1c(O)cccc1O
-2771	mol	CC(C)C1C(O)CCCC1O
-2772	mol	CCCC1C(O)CCCC1O
-2773	mol	CCCc1coc(C=C=C)c1F
-2774	mol	CC(CC1(C=O)C=C)=CO1
-2775	mol	CC(C)c1c(O)cc(O)cc1O
-2776	mol	CCCc1c(O)cc(O)cc1O
-2777	mol	CC(C)c1coc(C(O)=O)c1O
-2778	mol	CCCc1coc(C(O)=O)c1O
-2779	mol	CC(CC1C=O)=CO1
-2780	mol	CCCc1coc(OC=O)c1O
-2781	mol	CC(C)c1c(O)occ1O
-2782	mol	CC(C)c1c([SiH3])cccc1C
-2783	mol	CCc(c1F)c(C)c(O)cc1F
-2784	mol	Cc(cc1F)cc(O)c1F
-2785	mol	CCc(c1F)c(O)c(F)cc1O
-2786	mol	C(CC=C1Nc2cocc2)O1
-2787	mol	CCCc1nc(C#CBr)ccc1
-2788	mol	CCc(c1N)c(C=C)ccc1F
-2789	mol	CC(C)C1(N)CC=CO1
-2790	mol	CCCC1NCC(N)CC1F
-2791	mol	CC(CC1)OC1(CC)C=O
-2792	mol	CC(CC1)OC1(C=O)C(O)=O
-2793	mol	C(CCC1Oc2ccccc2)O1
-2794	mol	C(CCC1OC2CCOC2)O1
-2795	mol	C(CCC1Oc2occc2)O1
-2796	mol	CC(C)c1oc(Br)cc1
-2797	mol	CC(C)c1oc(Br)cc1Br
-2798	mol	CC(C)c1oc(Br)cc1Cl
-2799	mol	CCCc1occc1
-2800	mol	C=C=Cc1occc1
-2801	mol	C#CCc1occc1
-2802	mol	CC=Cc1occc1
-2803	mol	CC(=C)c1occc1
-2804	mol	CC(C)c1occc1
-2805	mol	CC#Cc1occc1
-2806	mol	CC(C)C1OC=CC1Br
-2807	mol	CCCc1occc1C
-2808	mol	C=CC(c1occc1)=C
-2809	mol	CC(C)c1occc1C
-2810	mol	CCCc1occc1CC
-2811	mol	C=C=C(c1occc1)C=C
-2812	mol	CC=C(c1occc1)C=C
-2813	mol	CC(C)c1occc1C=C
-2814	mol	CCCc1occc1C=C
-2815	mol	CCCc1occc1C#C
-2816	mol	CC(C)C1OC(CC1)C=C
-2817	mol	CCCC1OC=CC1C=C
-2818	mol	CCCC1OC(CC1)C#C
-2819	mol	CC=C(c1occc1)C=C=C
-2820	mol	CCC(c1occc1)=CC#C
-2821	mol	CCCc1oc(cc1)C=C=C
-2822	mol	CCCc1occc1C=C=C
-2823	mol	CCCc1occc1C(C)C
-2824	mol	C=C=CC1OC=CC1C=C=C
-2825	mol	C=C=CC1OCCC1C=C=C
-2826	mol	C=C=Cc1occc1C#CC=C
-2827	mol	CCCc1occc1C(C)CC
-2828	mol	CCCc1occc1C#CC#C
-2829	mol	CCCC1OC(CC1)C(C)(C)C
-2830	mol	CCCC1OCCC1C(C)CC
-2831	mol	CC(C)c1occc1Cl
-2832	mol	CC(C)c1occc1C=O
-2833	mol	CCCc1occc1C=O
-2834	mol	CCCC1OC(=CC1)C=O
-2835	mol	CCCC1OC(CC1C=O)C=C
-2836	mol	CC(C)c1occc1C(O)=O
-2837	mol	CCCc1occc1C(O)=O
-2838	mol	CC(C)C1OC=CC1C(O)=O
-2839	mol	CCCC1OC(CC1)C(O)=O
-2840	mol	C=C=CC1OC=CC1N(=O)=O
-2841	mol	CCCc1occc1O
-2842	mol	C=CC(c1occc1)=O
-2843	mol	CC(C)c1occc1O
-2844	mol	CC(C)C1OCCC1O
-2845	mol	CCCC1OC=CC1O
-2846	mol	CC(C)c1occc1OC=C
-2847	mol	CC(C)C1OC(CC1O)C=C
-2848	mol	CCCc1occc1OC(Cl)=O
-2849	mol	CC(C)c1occc1OC=O
-2850	mol	CCCc1occc1OC=O
-2851	mol	Cc(cc1O)cc(C)c1C
-2852	mol	Cc(cc1O)cc(C)c1C=C
-2853	mol	Cc(cc1O)cc(C)c1C=O
-2854	mol	Cc(cc1O)cc(C)c1O
-2855	mol	CC(C)c1oc(C)cc1O
-2856	mol	CCCc1oc(C)cc1OC=O
-2857	mol	CCC(C1O)C(CCC1O)C=O
-2858	mol	CCCc1oc(C=C)cc1
-2859	mol	CCCC1OC(CC)=CC1
-2860	mol	Cc(cc1O)cc(C=C)c1C
-2861	mol	Cc(cc1O)cc(C=C)c1C=C
-2862	mol	CC(C)c1occ(C=C)c1C=C
-2863	mol	CC(C)c1occ(C#C)c1C#C
-2864	mol	CCCc1occ(C=C)c1CC
-2865	mol	CCCc1occ(C#C)c1C=C
-2866	mol	CCCc1oc(C=C)cc1CC
-2867	mol	CCCc1oc(C#C)cc1C#C
-2868	mol	CCCC1OC(CC)=CC1C#C
-2869	mol	CC(C)c1occ(C#C)c1C=O
-2870	mol	Cc(cc1O)cc(C=C)c1O
-2871	mol	CC(C)c1oc(C(C)C)cc1
-2872	mol	CCCc1oc(CCC)cc1
-2873	mol	CCc(c1O)c(C=C)ccc1F
-2874	mol	CCc(c1O)c(C)c(C)cc1O
-2875	mol	CC(C)c1oc(C)c(C=C)c1O
-2876	mol	CCCC1OC=C(Cl)C1CCC
-2877	mol	CCCC1OC=C(Cl)C1C#N
-2878	mol	CC(C)C1(O)CCCO1
-2879	mol	Cc(cc1O)cc(C=O)c1C=O
-2880	mol	Cc(cc1O)cc(N)c1O
-2881	mol	Cc(cc1O)cc(O)c1C
-2882	mol	Cc(cc1O)cc(O)c1C=C
-2883	mol	CCCC1OC=C(O)C1C=C
-2884	mol	Cc(cc1O)cc(O)c1O
-2885	mol	CCCc1oc(C=O)cc1
-2886	mol	CCc(c1O)c(C(O)=O)ccc1C=O
-2887	mol	CCCC1OC(F)CC1C#C
-2888	mol	CCCC1OC(O)=CC1
-2889	mol	CC(C)c1oc(O)cc1C
-2890	mol	CC(C)c1oc(O)cc1C=C
-2891	mol	CCc(c1O)c(O)c(C)cc1O
-2892	mol	CCCC1(OC=O)CC=CO1
-2893	mol	CC(C)c1oc(O)c(C=O)c1O
-2894	mol	CCCc1oc(O)c(C=O)c1O
-2895	mol	CC(C)c1oc(OC=O)cc1
-2896	mol	CCCc1oc(OC=O)cc1
-2897	mol	CC(C)C1OC(OC=O)=CC1
-2898	mol	CCc(c1O)c(OC=O)oc1C
-2899	mol	CC(C)C1OC([SiH3])=CC1
-2900	mol	Cc(cc1O)oc1C
-2901	mol	Cc(cc1O)oc1O
-2902	mol	CC(CC1O)OC1OC=O
-2903	mol	CCCC1(O)OC=CC1C=C
-2904	mol	C(CC=C2C1CC=CO1)O2
-2905	mol	C(CCC2C1=CCCO1)O2
-2906	mol	C(CCC2C1CC=CO1)O2
-2907	mol	C=C=Cc2c1ccoc1ccc2
-2908	mol	C(CCC2C1C=COC1)O2
-2909	mol	C(CC=C2c1cocc1)O2
-2910	mol	C(CCC2c1cocc1)O2
-2911	mol	C(CCC2C1=COCC1)O2
-2912	mol	CCCc2c1occc1ccc2
-2913	mol	C=C=Cc2c1occc1ccc2
-2914	mol	CC(C)c2c1occc1ccc2
-2915	mol	CC(CC2c1occc1)=CO2
-2916	mol	C(CC=C2c1occc1)O2
-2917	mol	C(CCC2c1occc1)O2
-2918	mol	C(CCC2CC1CC=CO1)O2
-2919	mol	CCCc2cc1ccoc1cc2
-2920	mol	C#CCc2cc1ccoc1cc2
-2921	mol	C(CCC2CC1CCOC1)O2
-2922	mol	C=C=Cc2cc1occc1cc2
-2923	mol	CC(C)c2cc(C1CCCCC1)ccc2
-2924	mol	C(CC=C2C=Cc1cocc1)O2
-2925	mol	C(CC=C2C#Cc1cocc1)O2
-2926	mol	C(CCC2C=Cc1cocc1)O2
-2927	mol	C(CCC2C#Cc1cocc1)O2
-2928	mol	C(CC=C2C=Cc1occc1)O2
-2929	mol	C(CCC2C=Cc1occc1)O2
-2930	mol	CC(C)c2ccc(C1CCCCC1)cc2
-2931	mol	C(CCC2)CCCC2c1ccccc1
-2932	mol	C(CCC2)CCCC2C1CCCCC1
-2933	mol	CCCc2ccccc2c1ccccc1
-2934	mol	CC(C)c2cc(ccc2)c1ccccc1
-2935	mol	CC(C)c2ccc(cc2)c1ccccc1
-2936	mol	CC(Cc2ccccc2)c1ccccc1
-2937	mol	CCCc2cc(ccc2)c1ccccc1
-2938	mol	CCCC2CCCCC2c1ccccc1
-2939	mol	CC(C)C2CCCCC2c1ccccc1
-2940	mol	CCCC2CCCCC2C1CCCCC1
-2941	mol	CC(CC2CCCCC2)C1CCCCC1
-2942	mol	CCCC2CC(CCC2)C1CCCCC1
-2943	mol	CC(CC2CCCCC2)CC1CCCCC1
-2944	mol	CCC(C2CCCCC2)C(=O)c1ccccc1
-2945	mol	CC(C)c2ccc(C=O)c(c1ccccc1)c2C(C)C
-2946	mol	CC(C)c2ccc(C=O)cc2C(C)Cc1ccccc1
-2947	mol	CC(C)c2cc(C=O)c(c1ccccc1)cc2C(C)C
-2948	mol	CC(C)c2cc(C=O)cc(c1ccccc1)c2C(C)C
-2949	mol	CC(C)c2cc(C=O)ccc2C(C)Cc1ccccc1
-2950	mol	CC(C)c2cc(C=O)ccc2C(C)(C)c1ccccc1
-2951	mol	Cc(cc2C)oc2c1cocc1
-2952	mol	C(CCC2Oc1cocc1)O2
-2953	mol	C(CC=C2Oc1occc1)O2
-2954	mol	C(CCC2[SiH2]C1CC=CO1)O2
-2955	mol	CCCCBr
-2956	mol	CC=C=CBr
-2957	mol	CCC=CBr
-2958	mol	CCC(C)Br
-2959	mol	CCCC(Br)c1ccncc1
-2960	mol	CC(C)C(Br)C1CCOC1
-2961	mol	CC=C=C(Br)C=C
-2962	mol	CC(C)C(Br)C=C
-2963	mol	CCCC(Br)CC
-2964	mol	CCCC(Br)C=C
-2965	mol	CC(C)C(Br)=CC(Br)=C=C
-2966	mol	CC(C)C(Br)C=C=C
-2967	mol	CCCC(Br)C=C=C
-2968	mol	CCCC(Br)CC#C
-2969	mol	CCCC(Br)C(C)CC(C)C
-2970	mol	CCCC(Br)CCCC(C)C
-2971	mol	CC(C)C(Br)=C(CC)C(F)=C=C
-2972	mol	CC(CC(Br)C=C=C)C(O)=O
-2973	mol	CCCC(Br)=C=C([SiH3])N(=O)=O
-2974	mol	CC(C)C(Br)=C(F)C(Br)=C=C
-2975	mol	CC(C)C(Br)=C(F)C=C=C
-2976	mol	CC(C)C(Br)=C(F)C(F)=C=C
-2977	mol	CC(C)C(Br)=C(F)C(F)=C=CO
-2978	mol	CCCC(Br)CN
-2979	mol	CCCC(Br)C#N
-2980	mol	CCCC(Br)C(N)C=O
-2981	mol	CC(C)C(Br)C(OCl)=O
-2982	mol	CCCC(Br)(CO)C(O)=O
-2983	mol	CC(C)C(Br)C(O)=O
-2984	mol	CCC(C)(Br)N(=O)=O
-2985	mol	CCCCC
-2986	mol	C=C=CC=C
-2987	mol	C=CCC=C
-2988	mol	C#CC=C=C
-2989	mol	C#CCC=C
-2990	mol	C#CCC#C
-2991	mol	CC=C=CC
-2992	mol	CC=C(C)C
-2993	mol	CC=CC=C
-2994	mol	CC=CC#C
-2995	mol	CC(=C)C=C
-2996	mol	CC(=C)C#C
-2997	mol	CC(C)(C)C
-2998	mol	CC(C)C=C
-2999	mol	CC(C)C#C
-3000	mol	CC#CC=C
-3001	mol	CC#CC#C
-3002	mol	CCC=CC
-3003	mol	CCC=C=C
-3004	mol	CCC(C)C
-3005	mol	CCC(C)=C
-3006	mol	CCC#CC
-3007	mol	CCCC=C
-3008	mol	CCCC#C
-3009	mol	Cc(ccc1Br)cc1Cl
-3010	mol	CC(C)C(C1Br)=COC1C=C=C
-3011	mol	Cc(ccc1c2)cc1oc2[SiH3]
-3012	mol	CCCCc1c(Br)coc1CC
-3013	mol	CCCCc1c(Br)occ1[SiH3]
-3014	mol	C=Cc(cc1cc2)oc1cc2
-3015	mol	C#Cc(cc1cc2)oc1cc2
-3016	mol	CCc(cc1cc2)oc1cc2
-3017	mol	CCc(cc1cc2)oc1cc2Cl
-3018	mol	CC(C)Cc1cc(Br)ccc1
-3019	mol	CCCCc1cc(Br)ccc1
-3020	mol	CC(C)Cc1cc(Br)co1
-3021	mol	CCC(C)c1cc(Br)co1
-3022	mol	CCCCC1CC(Br)=CO1
-3023	mol	CCC(C)c1cc(Br)ncc1
-3024	mol	CCC(C)c1cc(Br)oc1
-3025	mol	Cc(ccc1C)cc1C
-3026	mol	CCc(cc1)ccc1C
-3027	mol	CCC(CC1)CCC1C
-3028	mol	Cc(ccc1C)cc1C=O
-3029	mol	CC(CCC1C)CC1C=O
-3030	mol	CCc(cc1)ccc1F
-3031	mol	CCc(cc1)ccc1N
-3032	mol	Cc(ccc1C)cc1O
-3033	mol	CCc(cc1)ccc1O
-3034	mol	CCC(CC1)CCC1O
-3035	mol	C=Cc(cc1ccc2)oc1c2Br
-3036	mol	C#Cc(cc1ccc2)oc1c2C
-3037	mol	C#Cc(cc1ccc2)oc1c2N
-3038	mol	CCCCc1ccc(Br)cc1
-3039	mol	CCCCC1CCC(Br)CC1
-3040	mol	CC(CCC1C#C)CC1C
-3041	mol	Cc(ccc1C=C)cc1C=C
-3042	mol	Cc(ccc1C#C)cc1C#C
-3043	mol	CC(C)C(C1)CC(CC1C)C=O
-3044	mol	Cc(ccc1C=C)cc1O
-3045	mol	CCc(cc1C)cc(C)c1
-3046	mol	CCCCc1ccccc1
-3047	mol	C=CCCc1ccccc1
-3048	mol	C=CC=Cc1ccccc1
-3049	mol	C=CC#Cc1ccccc1
-3050	mol	C#CCCc1ccccc1
-3051	mol	C#CC=Cc1ccccc1
-3052	mol	C#CC#Cc1ccccc1
-3053	mol	CC=C(C)c1ccccc1
-3054	mol	CC(C=C)c1ccccc1
-3055	mol	CC(C)Cc1ccccc1
-3056	mol	CC(C)=Cc1ccccc1
-3057	mol	CC(C)(C)c1ccccc1
-3058	mol	CC(C#C)c1ccccc1
-3059	mol	CCC=Cc1ccccc1
-3060	mol	CCC(=C)c1ccccc1
-3061	mol	CCC(C)c1ccccc1
-3062	mol	CCC#Cc1ccccc1
-3063	mol	CCCCC1CCCCC1
-3064	mol	C=CCCC1CCCCC1
-3065	mol	C=C=CCC1CCCCC1
-3066	mol	C=CC=CC1CCCCC1
-3067	mol	C=CC#CC1CCCCC1
-3068	mol	C#CCCC1CCCCC1
-3069	mol	C#CC=CC1CCCCC1
-3070	mol	C#CC#CC1CCCCC1
-3071	mol	CC=C=CC1CCCCC1
-3072	mol	CC(C)CC1CCCCC1
-3073	mol	CC(C)=CC1CCCCC1
-3074	mol	CC(C)(C)C1CCCCC1
-3075	mol	CCC=CC1CCCCC1
-3076	mol	CCC(C)C1CCCCC1
-3077	mol	CCC#CC1CCCCC1
-3078	mol	CCCCc1ccccc1Br
-3079	mol	CC(C)Cc1ccccc1Br
-3080	mol	CCCCC1CCCCC1Br
-3081	mol	CC(C)CC1CCCCC1Br
-3082	mol	CCCCC1CCC(CC1Br)C=O
-3083	mol	CCc(cc1C)cc(C)c1C
-3084	mol	CCCCc1ccccc1C
-3085	mol	C=C=CC(c1ccccc1)=C
-3086	mol	CC(C)Cc1ccccc1C
-3087	mol	CCC(C)c1ccccc1C
-3088	mol	CCCCC1CCCCC1C
-3089	mol	C=C=CC(C1CCCCC1)=C
-3090	mol	CC(C)CC1CCCCC1C
-3091	mol	CC(C)C(C1CCCCC1)=C
-3092	mol	CCC(C)C1CCCCC1C
-3093	mol	CCCC(C1CCCCC1)=C
-3094	mol	CCC(CC1CCCCC1)c2ccccc2
-3095	mol	CCCCc1ccccc1CC
-3096	mol	C=C=CC(c1ccccc1)=C=C
-3097	mol	C=CC=C(c1ccccc1)C=C
-3098	mol	C=CC(=Cc1ccccc1)C=C
-3099	mol	C#CC=C(c1ccccc1)C#C
-3100	mol	C#CC(=Cc1ccccc1)C=C
-3101	mol	C#CC(=Cc1ccccc1)C#C
-3102	mol	CC(C)Cc1ccccc1CC
-3103	mol	CC(C)Cc1ccccc1C=C
-3104	mol	CC(C)Cc1ccccc1C#C
-3105	mol	CC(C#C)c1ccccc1C#C
-3106	mol	CCC=C(c1ccccc1)C=C
-3107	mol	CCC(=Cc1ccccc1)C=C
-3108	mol	CCC(C)c1ccccc1CC
-3109	mol	CCC(C)c1ccccc1C=C
-3110	mol	CCC(C)c1ccccc1C#C
-3111	mol	CCCCc1ccccc1C=C
-3112	mol	CCCCc1ccccc1C#C
-3113	mol	CCCCC1CCCCC1CC
-3114	mol	C=C=CC(C1CCCCC1)=C=C
-3115	mol	C=CC=C(C1CCCCC1)C=C
-3116	mol	C#CC=C(C1CCCCC1)C#C
-3117	mol	C#CC(=CC1CCCCC1)C#C
-3118	mol	C#CC(CC1CCCCC1)C=C
-3119	mol	C#CC(CC1CCCCC1)C#C
-3120	mol	C#CCC(C1CCCCC1)C=C
-3121	mol	C#CCC(C1CCCCC1)C#C
-3122	mol	CC(C)(CC1CCCCC1)C=C
-3123	mol	CC(C)C(C1CCCCC1)C=C
-3124	mol	CC(C)C(C1CCCCC1)C#C
-3125	mol	CC(C)CC1CC(CCC1)C=C
-3126	mol	CC(C)CC1CCC(CC1)C=C
-3127	mol	CC(C)CC1CCCCC1C=C
-3128	mol	CC(C)CC1CCCCC1C#C
-3129	mol	CC(CCC1CCCCC1)C=C
-3130	mol	CCC(=CC1CCCCC1)C=C
-3131	mol	CCC(C)C1CCCCC1CC
-3132	mol	CCC(C)(C1CCCCC1)C=C
-3133	mol	CCC(C)C1CCC(CC1)C#C
-3134	mol	CCC(C)C1CCCCC1C=C
-3135	mol	CCC(CC1CCCCC1)C=C
-3136	mol	CCCC(C1CCCCC1)=CC
-3137	mol	CCCC(C1CCCCC1)C=C
-3138	mol	CCCC(C1CCCCC1)C#C
-3139	mol	CCCCC1CCCCC1C=C
-3140	mol	CCCCC1CCCCC1C#C
-3141	mol	CCCCc1ccccc1CCC
-3142	mol	CCCCC1CCCCC1CCC
-3143	mol	CC(C)CC1CCCCC1C(C)C
-3144	mol	CCCCc1ccccc1CCCC
-3145	mol	CCC(C)c1ccccc1C(C)CC
-3146	mol	CCC(C)c1ccccc1CC(C)C
-3147	mol	CCCCc1ccccc1C(C)CC
-3148	mol	CCCCC1CCCCC1CCCC
-3149	mol	CC(C)CC1CCCCC1C(C)(C)C
-3150	mol	CC(C)CC1CCCCC1CC(C)C
-3151	mol	CC(CCC1CCCCC1)C(C)(C)C
-3152	mol	CCC(C)C1CCCCC1C(C)CC
-3153	mol	CCCCc1ccccc1C(CC)CC
-3154	mol	CCC(C)C1CCC(CC1)C(CC)CC
-3155	mol	CCCCC1CC(CCC1)C(CC)CC
-3156	mol	CCCCC1CCC(CC1)C(C)CCC
-3157	mol	CCCCC1CCC(CC1)C(CC)CC
-3158	mol	CC(C)CC1CC(CCC1)C(CC)CC(C)C=O
-3159	mol	CC(C)CC1CCC(CC1)C(CC)CC(C)C=O
-3160	mol	CC(C)CC1CCCCC1C(CC)CC(C)C=O
-3161	mol	CC(C)CC1CC(CCC1)C(CC)(CC)C=O
-3162	mol	CC(C)CC1CCC(CC1)C(CC)(CC)C=O
-3163	mol	CC(C)CC1CCCCC1C(CC)(CC)C=O
-3164	mol	CCCC(C1CCCCC1)C(C)CC=O
-3165	mol	CC(C)C(C1CCCCC1)C(CCC=O)C=O
-3166	mol	CC(C)C(C1CCCCC1)C(C)CNC=O
-3167	mol	CC(CCc1ccccc1)C(C)C=O
-3168	mol	CCC(C)c1ccccc1C(CC)=O
-3169	mol	CCCCc1ccccc1C(CC)=O
-3170	mol	CCC(CC1CCCCC1)CCC=O
-3171	mol	CCCCC1CC(CCC1)C(C)=O
-3172	mol	CCCCC1CCC(CC1)C(C)=O
-3173	mol	CCCCc1ccccc1Cl
-3174	mol	CC(C)Cc1ccccc1Cl
-3175	mol	CCC(C)c1ccccc1Cl
-3176	mol	CC(C)CC1CCCCC1Cl
-3177	mol	CC(C)CC1CCCC(C1Cl)C=O
-3178	mol	CC(C)Cc1ccccc1C#N
-3179	mol	CC(C)C(C1CCCCC1)C#N
-3180	mol	CCC(C)C1CCCCC1C(N)(C)C(O)C
-3181	mol	CCC(C)C1CCCCC1C(N)C(=O)N
-3182	mol	CCC(C)C1CCCCC1C(N)N
-3183	mol	CCc(cc1C)cc(C)c1C=O
-3184	mol	CCCCc1ccccc1CO
-3185	mol	C=CC=C(c1ccccc1)C=O
-3186	mol	CC(C)(C)c1ccccc1C=O
-3187	mol	CC(CCc1ccccc1)C=O
-3188	mol	CCC(=Cc1ccccc1)C=O
-3189	mol	CCC(C)c1ccccc1C=O
-3190	mol	CCCCc1ccccc1C=O
-3191	mol	C=CC=C(C1CCCCC1)C=O
-3192	mol	C#CCC(C1CCCCC1)C=O
-3193	mol	CC(C)(C)C1CCC(CC1)C=O
-3194	mol	CC(C)C(C1CCCCC1)=CO
-3195	mol	CC(C)C(C1CCCCC1)C=O
-3196	mol	CC(C)CC1CC(CCC1)C=O
-3197	mol	CC(C)CC1CCCCC1C=O
-3198	mol	CC(CCC1CCCCC1)C=O
-3199	mol	CCC=C(C1CCCCC1)C=O
-3200	mol	CCC(C)(C1CCCCC1)C=O
-3201	mol	CCC(C)C1CCC(CC1)C=O
-3202	mol	CCC(C)C1CCCCC1C=O
-3203	mol	CCC(CC1CCCCC1)C=O
-3204	mol	CCCC(C1CCCCC1)C=O
-3205	mol	CCCC(C1CCCCC1C)=O
-3206	mol	CCCCC1CC(CCC1)C=O
-3207	mol	CCCCC1CCC(CC1)C=O
-3208	mol	CCCCC1CCCCC1C=O
-3209	mol	CC(C)C(C1CCCCC1)(C=O)c(ccc2)cc2C
-3210	mol	CCC(C)C1CCCCC1C(O)(C)NN
-3211	mol	CCCCc1cc(ccc1)C(=O)C=O
-3212	mol	CCCC(C1CCCCC1)(C=O)C=O
-3213	mol	CCC(C)C1CCCCC1C(O)N
-3214	mol	CCC(C)C1CCCCC1C(O)(N)C
-3215	mol	CCC(C)C1CCCCC1C(O)(N)N
-3216	mol	CC(C)(Cc1ccccc1)C(O)=O
-3217	mol	CC(C)C(C1CCCCC1)C(O)=O
-3218	mol	CC(C)CC1CCC(CC1)C(O)=O
-3219	mol	CC(C)CC1CCCCC1C(O)=O
-3220	mol	CCC(C)C1CC(CCC1)C(O)=O
-3221	mol	CCCCC1CC(CCC1)C(O)=O
-3222	mol	CCCCC1CCC(CC1)C(O)=O
-3223	mol	CCC(C(C1CCCCC1)C(O)=O)C=O
-3224	mol	CC(C)C(C1CCCCC1)(C(O)=O)C(O)=O
-3225	mol	CCCCc1ccccc1F
-3226	mol	CC(C)Cc1ccccc1F
-3227	mol	CCCCc1ccccc1N
-3228	mol	CC(C)Cc1ccccc1N
-3229	mol	CCC(C)c1ccccc1N
-3230	mol	CCCCC1CCCCC1N
-3231	mol	CC(C)CC1CCCCC1N
-3232	mol	CCC(C)C1CCCCC1N
-3233	mol	CC(C)C(C1CCCCC1)NC=O
-3234	mol	CCCCC1CCCCC1NC=O
-3235	mol	CCCCC1CCC(CC1NC=O)C=O
-3236	mol	CCCC(c1ccccc1)NC(=O)N
-3237	mol	CCc(cc1C)cc(C)c1O
-3238	mol	CCc(cc1C)c(C)cc1O
-3239	mol	CCCCc1ccccc1O
-3240	mol	C=CCCc1ccccc1O
-3241	mol	C=C=CC(c1ccccc1)=O
-3242	mol	C#CCCc1ccccc1O
-3243	mol	CC=C(C)c1ccccc1O
-3244	mol	CC(C=C)c1ccccc1O
-3245	mol	CC(C)Cc1ccccc1O
-3246	mol	CC(C)=Cc1ccccc1O
-3247	mol	CC(C)(C)c1ccccc1O
-3248	mol	CC(C#C)c1ccccc1O
-3249	mol	CC(CCc1ccccc1)=O
-3250	mol	CCC=Cc1ccccc1O
-3251	mol	CCC(=C)c1ccccc1O
-3252	mol	CCC(C)c1ccccc1O
-3253	mol	CCC#Cc1ccccc1O
-3254	mol	CCCCC1CCCCC1O
-3255	mol	CC(C)CC1CCCCC1O
-3256	mol	CC(C)C(C1CCCCC1)=O
-3257	mol	CCC(C)C1CCCCC1O
-3258	mol	CCC(CC1CCCCC1)=O
-3259	mol	CCCC(C1CCCCC1)=O
-3260	mol	CCCCc1ccccc1OC
-3261	mol	CCCCC1CCCCC1OC
-3262	mol	CCC(C)C1CCCCC1OC
-3263	mol	CC(C)C(C1CCCCC1)OC=O
-3264	mol	CCC(C)C1CCCC(C1O)C=O
-3265	mol	CCCCC1CCCCC1OC=O
-3266	mol	CCC(C)C1C(CCC(C1O)C=O)C=O
-3267	mol	CCC(C)C1CC(CC(C1O)C=O)C(O)=O
-3268	mol	CCCCC1C(CCCC1O)C(O)=O
-3269	mol	CCCCC1CCCCC1ON
-3270	mol	CCC(C)c1ccccc1[SiH3]
-3271	mol	CCCCc1ccccc1[SiH3]
-3272	mol	CC(C)Cc1ccc(C)cc1C
-3273	mol	CCC(C)c1c(C)cccc1C
-3274	mol	CCC(C)C1CCC(C)CC1C
-3275	mol	CCC(CC1C)C(CC)C(C1C)C=O
-3276	mol	CC(C)Cc1cc(C)ccc1C=O
-3277	mol	CCCCc1cc(C)ccc1C=O
-3278	mol	CC(C)c(c1)cc(C=C)cc1F
-3279	mol	CC(C)Cc1cc(C)ccc1F
-3280	mol	CCCCc1cc(C)ccc1N
-3281	mol	CC(C)Cc1c(C)cccc1N
-3282	mol	CCCCc1c(C)cccc1N
-3283	mol	CCc(cc1C)cc(C=C)c1O
-3284	mol	CCc(cc1C)c(C=C)cc1O
-3285	mol	CC(C)c(c1)cc(C=C)cc1O
-3286	mol	CCCc(c1)cc(C=C)cc1O
-3287	mol	CC(C)Cc1ccc(C)cc1O
-3288	mol	CCCCc1ccc(C)cc1O
-3289	mol	CCC(C)c1cc(C)ccc1O
-3290	mol	CCCCc1cc(C)ccc1O
-3291	mol	CC(C)Cc1c(C)cccc1O
-3292	mol	CCCCc1c(C)cccc1O
-3293	mol	CCC(C)C1CCC(C)CC1O
-3294	mol	CC(C)Cc1ccc(C=C)cc1
-3295	mol	CC(C)Cc1ccc(C#C)cc1
-3296	mol	CCC(C)c1ccc(C=C)cc1
-3297	mol	CCCCc1ccc(C=C)cc1
-3298	mol	CC(C)Cc1cc(C=C)ccc1
-3299	mol	CC(C)Cc1cc(C#C)ccc1
-3300	mol	CCC(C)c1cc(C=C)ccc1
-3301	mol	CCCCc1cc(C=C)ccc1
-3302	mol	CCCCC1CCCCCCC1
-3303	mol	CC(C)CC1CCCCCCC1
-3304	mol	CCCCc1c(CC)cccc1C
-3305	mol	CCCCC1CCCCCCC1CC
-3306	mol	CCCCC1CC(CC)CCC1CC
-3307	mol	CC(C)CC1CCCCCCC1CC(C)C
-3308	mol	CCCCC1CCCC(CCC1CC)C=O
-3309	mol	CCC(CC1CCCCCCC1)C=O
-3310	mol	CC(C)CC1CCCCCCC1C(O)=O
-3311	mol	CCCCC1CCC(CCCC1)C(O)=O
-3312	mol	CC(C)CC1CCCCCCC1N
-3313	mol	CCCCC1CC(CCCCC1)NC=O
-3314	mol	CCCCC1CCCCCCC1O
-3315	mol	CCC(C)C1CCCCCCC1O
-3316	mol	CCCCC1CCC(CCCC1O)OC=O
-3317	mol	CCCCc1cc(C(C)C)ccc1
-3318	mol	CC(C)CC1CCC(C(C)C)CC1
-3319	mol	CCC(C)c1cc(C(C)C)ccc1C=O
-3320	mol	CCCCc1cc(C(C)C)ccc1C=O
-3321	mol	CCCCc1cc(CCC)ccc1C=O
-3322	mol	CCCCc1cc(CCC)ccc1O
-3323	mol	CCC(C)c1cc(C(C)CC)ccc1
-3324	mol	CCCCc1cc(CCCC)ccc1
-3325	mol	CCCCC1CC(CC(C)C)CCC1
-3326	mol	CCCCC1CCC(CC(C)C)CC1
-3327	mol	CCCCC1CCC(CCCC)CC1
-3328	mol	CC(C)Cc1cc(C)cc(C(C)C)c1C=O
-3329	mol	CCCCc1cc(C)cc(C(C)C)c1C=O
-3330	mol	CC(C)Cc1cc(C(C)C)co1
-3331	mol	CCCCc1cc(C(C)C)co1
-3332	mol	CCC(C)C1(CC)CC(C)=CO1
-3333	mol	CCCCC1(C)CC(CC)CO1
-3334	mol	CCCCC1(CCC)CCCO1
-3335	mol	CCCCC1(CCC)CC=CO1
-3336	mol	CCCCc1ccc(C)c(C=O)c1O
-3337	mol	CC(C)Cc1c(CC)cc(C=O)cc1C
-3338	mol	CCCCc1c(CC)cc(C=O)cc1C
-3339	mol	CCCCc1cc(CCCC(O)=O)c(C=O)cc1CCC
-3340	mol	CC(C)(C)c1cc(C=C)co1
-3341	mol	CC(C)Cc1cc(C=C)co1
-3342	mol	CC(C)Cc1cc(C#C)co1
-3343	mol	CCC(C)c1cc(C=C)co1
-3344	mol	CCC(C)c1cc(C#C)co1
-3345	mol	CCCCc1cc(C=C)co1
-3346	mol	CCCCc1cc(C#C)co1
-3347	mol	CC(C)CC1(CC)CCCO1
-3348	mol	CC(C)Cc1cc(C(C)C)oc1
-3349	mol	CCCCc1cc(CCC)oc1
-3350	mol	CCCCC1(C(C)C)C=COC1
-3351	mol	CCc(cc1CC)cc(C=O)c1CC
-3352	mol	CCC(C)c1cccc(C=O)c1CC
-3353	mol	CCCCc1cccc(C=O)c1CC
-3354	mol	CCCc(c1C)c(C)c(C=O)cc1CC
-3355	mol	CCCc(c1C)cc(C(C)=O)cc1O
-3356	mol	CC(C)Cc1ccccn1
-3357	mol	CCC(C)c1ccccn1
-3358	mol	CCCCC1CCCCN1
-3359	mol	C#CC=CC1CCCCN1
-3360	mol	C=C=CC(C1CCCCN1)=C
-3361	mol	CC(C)C(c1ccccn1)=C=C
-3362	mol	CCCCC1CCCCN1C#N
-3363	mol	CCCCC1CCCCN1F
-3364	mol	CCCCC1CCCC(N)CCC1C(O)=O
-3365	mol	CC(C)CC1(C)CCCO1
-3366	mol	CC(C)CC1(C)CC=CO1
-3367	mol	CCC(C)C1(C)CCCO1
-3368	mol	CCC(C)C1CC(C)=CO1
-3369	mol	CCCCC1(C)CCCO1
-3370	mol	CCCCC1(C)CC=CO1
-3371	mol	CC(C)CC1(C)CC(CO1)C=C
-3372	mol	CCCCC1(CC(C)=CO1)C=O
-3373	mol	CC(C)Cc1cc(C=C)oc1
-3374	mol	CC(C)Cc1cc(C#C)oc1
-3375	mol	CCC(C)c1cc(C=C)oc1
-3376	mol	CCCCc1cc(C=C)oc1
-3377	mol	CCCCc1cc(C#C)oc1
-3378	mol	CCCCC1(C#C)C=COC1
-3379	mol	CCc(cc1C)cc(C=O)c1C
-3380	mol	CC(C)Cc1cc(CC)oc1C
-3381	mol	CC(C)Cc1c(CC)coc1C
-3382	mol	CCc(cc1C)cc(C=O)c1N
-3383	mol	CCc(cc1C)cc(C=O)c1O
-3384	mol	CC(C)Cc1cc(C=C)oc1O
-3385	mol	CC(C)CC1(CC)CCOC1O
-3386	mol	CC(C)(C)c1ccc(C=O)cc1
-3387	mol	CC(C)Cc1ccc(C=O)cc1
-3388	mol	CCC(C)c1ccc(C=O)cc1
-3389	mol	CCCCc1ccc(C=O)cc1
-3390	mol	CCCCc1c(cc(C=O)cc1O)C(=O)C=O
-3391	mol	CCCc(c1CC)c(C=O)ccc1C
-3392	mol	CC(C)Cc1ccc(C=O)c(C=O)c1CC
-3393	mol	CCCCc1ccc(C=O)c(C=O)c1CC
-3394	mol	CC(C)Cc1ccc(C=O)cn1
-3395	mol	CCC(C)c1ccc(C(O)=O)cc1
-3396	mol	CCCCc1ccc(F)cc1O
-3397	mol	CCC(C)c1ccc(F)nc1O
-3398	mol	CCCCc1ccc(F)nc1O
-3399	mol	CCCc(c1)cc(Cl)cc1F
-3400	mol	CCCc(c1)cc(Cl)cc1N
-3401	mol	CCCCc1cc(Cl)ccc1C
-3402	mol	CC(C)CC1CC(Cl)=CO1
-3403	mol	CCCCc1cccnc1
-3404	mol	C=CC=Cc1cccnc1
-3405	mol	CCC#Cc1cccnc1
-3406	mol	CCCCC1CCCNC1
-3407	mol	CCC(C)C1CCCNC1
-3408	mol	C=C=CC(C1CCCNC1)=C
-3409	mol	CC(C)C(c1cccnc1)=C=C
-3410	mol	CC(C)Cc1ccc(N)cc1C
-3411	mol	CCCCC1CCC(N)CC1CCCC
-3412	mol	CC(C)Cc1ccc(N)cc1N
-3413	mol	CCC(C)c1ccc(N)cc1N
-3414	mol	CCCCc1ccc(N)cc1N
-3415	mol	CCCCc1cc(C#N)ccc1
-3416	mol	CC(C)Cc1cc(C#N)co1
-3417	mol	CCCCc1cc(C#N)co1
-3418	mol	CC(C)Cc1cc(C#N)oc1
-3419	mol	CCCCC1CCCO1
-3420	mol	C=CC=CC1CCCO1
-3421	mol	C=CC=CC1CC=CO1
-3422	mol	C=CC(=C)C1=CCCO1
-3423	mol	C=CC#CC1CCCO1
-3424	mol	C=CC#CC1=CCCO1
-3425	mol	C=CC#CC1CC=CO1
-3426	mol	C=CCCC1CC=CO1
-3427	mol	C#CCCC1CCCO1
-3428	mol	C#CC=CC1CCCO1
-3429	mol	C#CC=CC1CC=CO1
-3430	mol	C#CC(=C)C1=CCCO1
-3431	mol	C#CC#CC1CCCO1
-3432	mol	C#CC#CC1=CCCO1
-3433	mol	C#CC#CC1CC=CO1
-3434	mol	C#CCCC1CC=CO1
-3435	mol	CC=C=CC1CCCO1
-3436	mol	CC(C=C)C1=CCCO1
-3437	mol	CC(C)CC1CCCO1
-3438	mol	CC(C)(C)C1CCCO1
-3439	mol	CC(C)(C)C1=CCCO1
-3440	mol	CC(C)(C)C1CC=CO1
-3441	mol	CC(C)CC1=CCCO1
-3442	mol	CC(C)CC1CC=CO1
-3443	mol	CC(C#C)C1=CCCO1
-3444	mol	CCC=CC1=CCCO1
-3445	mol	CCC=CC1CC=CO1
-3446	mol	CCC(=C)C1=CCCO1
-3447	mol	CCC(C)C1CCCO1
-3448	mol	CCC(C)C1=CCCO1
-3449	mol	CCC(C)C1CC=CO1
-3450	mol	CCC#CC1CCCO1
-3451	mol	CCC#CC1CC=CO1
-3452	mol	CCCCC1=CCCO1
-3453	mol	CCCCC1CC=CO1
-3454	mol	C=C=CC(C1CCCO1)=C
-3455	mol	CC(C)C(C1CCCO1)=C
-3456	mol	CCCC(C1CC=CO1)=C
-3457	mol	CCCC(C1CCCO1)=C
-3458	mol	C=C=CC(C1CC=CO1)=C=C
-3459	mol	C=C=CC(C1CCCO1)=C=C
-3460	mol	C=CC=C(C1CC=CO1)C=C
-3461	mol	C=CC(CC1CCCO1)C=C
-3462	mol	C=CCC(C1CC=CO1)C=C
-3463	mol	C#CC=C(C1CC=CO1)C#C
-3464	mol	C#CC=C(C1CCCO1)C#C
-3465	mol	C#CC(=CC1CCCO1)C#C
-3466	mol	C#CC(CC1CC=CO1)C#C
-3467	mol	C#CCC(C1CC=CO1)C#C
-3468	mol	C#CCC(C1CCCO1)C#C
-3469	mol	CC(C)C(C1CC=CO1)C#C
-3470	mol	CC(C)C(C1CCCO1)C#C
-3471	mol	CC(C)CC1(CC=CO1)C=C
-3472	mol	CC(C)CC1(CCCO1)C#C
-3473	mol	CC(C)CC1CC(=CO1)C=C
-3474	mol	CC(C#C)C1(CCCO1)C=C
-3475	mol	CC(CCC1=CCCO1)C=C
-3476	mol	CC(CCC1CC=CO1)C=C
-3477	mol	CC(CCC1CCCO1)C#C
-3478	mol	CCC=C(C1CC=CO1)C=C
-3479	mol	CCC=C(C1CC=CO1)C#C
-3480	mol	CCC=C(C1CCCO1)C=C
-3481	mol	CCC(C)(C1CC=CO1)C=C
-3482	mol	CCC(C)C1(CC=CO1)C=C
-3483	mol	CCC(C)C1(CC=CO1)C#C
-3484	mol	CCC(C)C1(CCCO1)C=C
-3485	mol	CCC(C)C1CC(=CO1)C=C
-3486	mol	CCC(CC1CC=CO1)C#C
-3487	mol	CCCC(C1CC=CO1)C=C
-3488	mol	CCCC(C1CC=CO1)C#C
-3489	mol	CCCC(C1CCCO1)C=C
-3490	mol	CCCC(C1CCCO1)C#C
-3491	mol	CCCCC1=C(CCO1)C#C
-3492	mol	CCCCC1(CC=CO1)C=C
-3493	mol	CCCCC1(CC=CO1)C#C
-3494	mol	CCCCC1CC(=CO1)C=C
-3495	mol	CC(C)Cc1cc(co1)C=C=C
-3496	mol	CCC(C)c1cc(co1)C=C=C
-3497	mol	CCCCc1cc(co1)C=C=C
-3498	mol	C=C=CC(C1CCCO1)=CC=C
-3499	mol	C#CC=C(C1CCCO1)C=C=C
-3500	mol	CC(C)(C)C1(CCCO1)C=C=C
-3501	mol	CCC=C(C1CC=CO1)C=C=C
-3502	mol	CCC(C)C1(CC=CO1)C#CC
-3503	mol	CCCC(C1CCCO1)C=C=C
-3504	mol	CCCC(C1(CCCO1)C=C)=O
-3505	mol	CC(C)CC1CC(CO1)C#N
-3506	mol	CCC(C)C1CC(CO1)C#N
-3507	mol	CCCCC1(CCCO1)C#N
-3508	mol	C#CC=C(C1CC=CO1)C=O
-3509	mol	C#CC(=CC1CC=CO1)C=O
-3510	mol	C#CC(=CC1CCCO1)C=O
-3511	mol	CC=CC(C1CC=CO1)=CO
-3512	mol	CC(C)C(C1CC=CO1)C=O
-3513	mol	CC(C)CC1(CC=CO1)C=O
-3514	mol	CC(C)CC1(CCCO1)C=O
-3515	mol	CC(C)CC1CC(CO1)C=O
-3516	mol	CC(CCC1CC=CO1)C=O
-3517	mol	CC(CCC1CCCO1)C=O
-3518	mol	CCC(CC1CCCO1)C=O
-3519	mol	CCCC(C1CC=CO1)=CO
-3520	mol	CCCC(C1CC=CO1)C=O
-3521	mol	CCCCC1(CC=CO1)C=O
-3522	mol	CCCCC1(CCCO1)C=O
-3523	mol	CC(C)C(C1CCCO1)C(O)=O
-3524	mol	CC(CCC1CC=CO1)C(O)=O
-3525	mol	CCCC(C1CC=CO1)C(O)=O
-3526	mol	C=CC=C(C1CC=CO1)NC=C
-3527	mol	CC(C)(CC1CCCO1)N(=O)=O
-3528	mol	CC(C)C(C1CCCO1)N(=O)=O
-3529	mol	CCC(C)(C1CC=CO1)N(=O)=O
-3530	mol	C=C=CC(C1CCCO1)=O
-3531	mol	CC(C)C(C1CC=CO1)=O
-3532	mol	CC(C)C(C1CCCO1)=O
-3533	mol	CCCC(C1CC=CO1)=O
-3534	mol	CCCC(C1CCCO1)=O
-3535	mol	C#CC(CC1CC=CO1)OC=O
-3536	mol	CC(C)(CC1CCCO1)OC=O
-3537	mol	CC(C)CC1(CCCO1)OC=O
-3538	mol	CC(C)CC1C=C(C)OC1
-3539	mol	CCCCC1(C)C=COC1
-3540	mol	CCCCc1cc(C)oc1C
-3541	mol	CCCCC1(C)C=COC1C=C
-3542	mol	CC(C)CC1(C)C=COC1C=O
-3543	mol	CCC(C)c1cc(C)oc1O
-3544	mol	CCCCc1cc(C)oc1O
-3545	mol	CC(C)CC1(C)C=COC1O
-3546	mol	CC(C)CC1CC(C)OC1O
-3547	mol	CCCCC1CCC(O)CC1Br
-3548	mol	CCc(cc1C)c(C=O)cc1C
-3549	mol	CCCc(c1)cc(C=O)cc1C
-3550	mol	CCC(C)c1ccc(O)cc1C
-3551	mol	CC(C)Cc1c(C=C)occ1C
-3552	mol	CCCCC1CCC(O)CC1NC=O
-3553	mol	CCCc(c1)cc(C=O)cc1O
-3554	mol	CCC(C)c1ccc(O)cc1O
-3555	mol	CCCCc1ccc(O)cc1O
-3556	mol	CC(C)Cc1c(C=C)occ1O
-3557	mol	CCC(C)c1c(C=C)occ1O
-3558	mol	CCC(C)c1c(CC)occ1O
-3559	mol	CCCCc1c(C=C)occ1O
-3560	mol	CCCCc1c(CC)occ1O
-3561	mol	CC(C)(C)c1cc(C=O)ccc1
-3562	mol	CCC(C)c1cc(C=O)ccc1
-3563	mol	CCCCc1cc(C=O)ccc1
-3564	mol	CC(C)c(c1C)c(C=O)ccc1C
-3565	mol	CCC(C)c1cc(C=O)ccc1C
-3566	mol	CCCCc1cc(C=O)ccc1C
-3567	mol	CCCCc1cc(C=O)c(CC(C)C=O)cc1C
-3568	mol	CC(C)Cc1cc(C=O)co1
-3569	mol	CCC(C)c1cc(C=O)co1
-3570	mol	CCCCc1cc(C=O)co1
-3571	mol	CC(C)Cc1cc(C=O)oc1
-3572	mol	CCCCc1cc(C=O)oc1
-3573	mol	CCC(C)c1cc(C(O)=O)ccc1
-3574	mol	CC(C)Cc1cc(C(O)=O)co1
-3575	mol	CCC(C)c1cc(C(O)=O)co1
-3576	mol	CCCCc1cc(C(O)=O)co1
-3577	mol	CC(C)Cc1cc(C(O)=O)oc1
-3578	mol	CCC(C)c1cc(C(O)=O)oc1
-3579	mol	CCCCc1cc(C(O)=O)oc1
-3580	mol	CCCCc1cc(F)ccc1F
-3581	mol	CCCCc1ccncc1
-3582	mol	C=CC#Cc1ccncc1
-3583	mol	CC=C=Cc1ccncc1
-3584	mol	CC(C)Cc1ccncc1
-3585	mol	CCC(C)c1ccncc1
-3586	mol	CCC#Cc1ccncc1
-3587	mol	C=CC=CC1CCNCC1
-3588	mol	C=CC#CC1CCNCC1
-3589	mol	CC(C)CC1CCNCC1
-3590	mol	CC(C)(C)C1CCNCC1
-3591	mol	CCCC(C1CCNCC1)=C
-3592	mol	C#CC(=Cc1ccncc1)C=C
-3593	mol	CCCCc1ccncc1C=C
-3594	mol	CC(C)CC1(CCNCC1)C#C
-3595	mol	CCCCc1ccncc1C#N
-3596	mol	CC(C)C(C1CCNCC1)C=O
-3597	mol	CC(C)Cc1cc(N)ccc1C
-3598	mol	CC(C)CC1CC(N)CCC1CC
-3599	mol	CC(C)Cc1cc(N)ccc1N
-3600	mol	CCC(C)c1cc(N)ccc1N
-3601	mol	CCCCC1CC(N)CNC1N
-3602	mol	CCCCC1CCOC1
-3603	mol	C=CCCC1CCOC1
-3604	mol	C=CC=CC1CCOC1
-3605	mol	C=CC=CC1C=COC1
-3606	mol	C=CC#CC1CCOC1
-3607	mol	C=CC#CC1C=COC1
-3608	mol	C#CCCC1CCOC1
-3609	mol	C#CC=CC1CCOC1
-3610	mol	C#CC#CC1CCOC1
-3611	mol	C#CC#CC1C=COC1
-3612	mol	CC=C(C)C1CCOC1
-3613	mol	CC(C)CC1CCOC1
-3614	mol	CC(C)CC1C=COC1
-3615	mol	CC(C#C)C1C=COC1
-3616	mol	CCC=CC1CCOC1
-3617	mol	CCC=CC1C=COC1
-3618	mol	CCC(C)C1CCOC1
-3619	mol	CCC(C)C1C=COC1
-3620	mol	CCC#CC1C=COC1
-3621	mol	CCCCC1C=COC1
-3622	mol	CCCCc1ccoc1Br
-3623	mol	CCC(C)c1ccoc1Br
-3624	mol	CC(C)CC1C=COC1Br
-3625	mol	CCCCc1ccoc1C
-3626	mol	CC(C)Cc1ccoc1C
-3627	mol	CC(C)(C)c1ccoc1C
-3628	mol	CCC(C)c1ccoc1C
-3629	mol	C=C=CC(C1CCOC1)=C
-3630	mol	CC(C)CC1CCOC1C
-3631	mol	CC(C)C(C1C=COC1)=C
-3632	mol	CCC(C)C1CCOC1C
-3633	mol	CCC(C)C1C=COC1C
-3634	mol	CCCC(C1CCOC1)=C
-3635	mol	CCCCC1C=COC1C
-3636	mol	CC(C)C(C1CCOC1)=CBr
-3637	mol	C=Cc(cc1C=C)oc1C=C
-3638	mol	C#Cc(cc1C=C)oc1C=C
-3639	mol	CCCCc1ccoc1CC
-3640	mol	CC(C)Cc1ccoc1CC
-3641	mol	CC(C)Cc1ccoc1C=C
-3642	mol	CC(C)Cc1ccoc1C#C
-3643	mol	CC(C#C)c1ccoc1C#C
-3644	mol	CCC(C)c1ccoc1CC
-3645	mol	CCC(C)c1ccoc1C=C
-3646	mol	CCC(C)c1ccoc1C#C
-3647	mol	CCCCc1ccoc1C=C
-3648	mol	CCCCc1ccoc1C#C
-3649	mol	C=C=CC(C1C=COC1)=C=C
-3650	mol	C=C=CC(C1CCOC1)=C=C
-3651	mol	C=CC=C(C1CCOC1)C=C
-3652	mol	C=CC(=CC1CCOC1)C=C
-3653	mol	C=CCC(C1C=COC1)C=C
-3654	mol	C=CCC(C1CCOC1)C=C
-3655	mol	C#CC=C(C1C=COC1)C#C
-3656	mol	C#CC=C(C1CCOC1)C#C
-3657	mol	C#CC(=CC1CCOC1)C#C
-3658	mol	C#CC(CC1CCOC1)C#C
-3659	mol	C#CCC(C1CCOC1)C#C
-3660	mol	CC(C)(CC1C=COC1)C=C
-3661	mol	CC(C)C(C1CCOC1)C=C
-3662	mol	CC(C)C(C1CCOC1)C#C
-3663	mol	CC(C)CC1(CCOC1)C#C
-3664	mol	CC(C)CC1C=COC1C#C
-3665	mol	CC(C)CC1CCOC1C=C
-3666	mol	CC(CCC1C=COC1)C=C
-3667	mol	CC(CCC1CCOC1)C=C
-3668	mol	CCC=C(C1C=COC1)C=C
-3669	mol	CCC(C)C1CC(OC1)C#C
-3670	mol	CCC(C)C1CCOC1C=C
-3671	mol	CCCC(C1CCOC1)=CC
-3672	mol	CCCC(C1CCOC1)C=C
-3673	mol	CCCCC1C=C(OC1)C#C
-3674	mol	CCCCC1C=COC1C#C
-3675	mol	CCCCC1CCOC1C=C
-3676	mol	CCCCc1ccoc1CCC
-3677	mol	CC(C)Cc1ccoc1C=C=C
-3678	mol	CCC(C)c1ccoc1C=C=C
-3679	mol	CCC(C)c1ccoc1C(C)C
-3680	mol	CCCCc1ccoc1C=C=C
-3681	mol	CCCCc1ccoc1C(C)C
-3682	mol	C=C=CC(C1CCOC1)=CC=C
-3683	mol	CC(C)CC1C=C(OC1C)C=C
-3684	mol	CC(C)CC1C=COC1C=C=C
-3685	mol	CCC(C)C1C=COC1(C)C=C
-3686	mol	CCC(C)C1CCOC1C(C)C
-3687	mol	CCCC(C1CCOC1)CC=C
-3688	mol	CCCCC1C=COC1CCC
-3689	mol	CCCCC1C=COC1(C)C=C
-3690	mol	CCCCC1CCOC1C#CC
-3691	mol	CCCCC1C=COC1C#N
-3692	mol	CC(C)Cc1ccoc1C=O
-3693	mol	CCC(C)c1ccoc1C=O
-3694	mol	CCCCc1ccoc1C=O
-3695	mol	C=CC=C(C1CCOC1)C=O
-3696	mol	CC(C)(CC1CCOC1)C=O
-3697	mol	CC(C)C(C1CCOC1)C=O
-3698	mol	CC(C)CC1C=COC1C=O
-3699	mol	CC(CCC1C=COC1)C=O
-3700	mol	CC(CCC1CCOC1)C=O
-3701	mol	CCC(C)C1C=COC1C=O
-3702	mol	CCC(C)C1CCOC1C=O
-3703	mol	CCCC(C1CCOC1)C=O
-3704	mol	CCCCC1C=COC1C=O
-3705	mol	CCCCC1CCOC1C=O
-3706	mol	CC(C)Cc1ccoc1C(O)=O
-3707	mol	CCC(C)c1ccoc1C(O)=O
-3708	mol	CCCCc1ccoc1C(O)=O
-3709	mol	CC(C)CC1C=COC1C(O)=O
-3710	mol	CCC(CC1C=C)OC1C(O)=O
-3711	mol	CCC(CC1C=COC1)C(O)=O
-3712	mol	CCC(CC1CC)OC1C(O)=O
-3713	mol	CCC(CC1CCOC1)C(O)=O
-3714	mol	CCCCC1CCOC1C(O)=O
-3715	mol	CCC(C)c1ccoc1F
-3716	mol	CCCCc1ccoc1N(=O)=O
-3717	mol	CCC(C)(C1C=COC1)N(=O)=O
-3718	mol	CCCCc1ccoc1O
-3719	mol	CC(C)Cc1ccoc1O
-3720	mol	CC(C)(C)c1ccoc1O
-3721	mol	CC(C)CC1CCOC1O
-3722	mol	CC(C)CC1C=COC1O
-3723	mol	CCC(C)C1CCOC1O
-3724	mol	CCC(C)C1C=COC1O
-3725	mol	CCCC(C1CCOC1)=O
-3726	mol	CCCCC1C=COC1O
-3727	mol	CCCCC1C=COC1(O)C
-3728	mol	CCCCC1C=COC1(O)C=C
-3729	mol	CC(C)Cc1ccoc1OC=O
-3730	mol	CCC(C)c1ccoc1OC=O
-3731	mol	CCCCc1ccoc1OC=O
-3732	mol	CC(C)C(C1CCOC1)OC=O
-3733	mol	CC(C)CC1C=COC1OC=O
-3734	mol	CC(CCC1C=COC1)OC=O
-3735	mol	CCC(C)C1C=COC1OC=O
-3736	mol	CCC(C)C1CCOC1OC=O
-3737	mol	CCCC(C1CCOC1)OC=O
-3738	mol	CCCCC1CCOC1OC=O
-3739	mol	CC(C)CC1CCOC1[SiH3]
-3740	mol	CCC(C)c1c(C)occ1C
-3741	mol	CCCCc1c(C)occ1C
-3742	mol	CCC(C)C1(C)COC=C1C
-3743	mol	CCc(cc1C)c(O)cc1N
-3744	mol	CCC(C)c1cc(O)ccc1C
-3745	mol	CCC(C)C1(CC)OCCC1C
-3746	mol	CCCCc1cc(O)ccc1F
-3747	mol	CC(C)Cc1cc(O)ccc1N
-3748	mol	CCCCc1cc(O)ccc1N
-3749	mol	CCCCc1cc(O)ccc1NC=O
-3750	mol	CCc(cc1C)c(O)c(C)c1O
-3751	mol	CCC(C)c1cc(O)ccc1O
-3752	mol	CCCCc1cc(O)ccc1O
-3753	mol	CCCCC1(CC)OC(C)CC1
-3754	mol	CCC(C)c1c(C=O)cc(C)cc1C
-3755	mol	CCCCc1c(C=O)cc(C)cc1CCC
-3756	mol	CCCCc1cc(OC#C)oc1
-3757	mol	CCC(C)C1CC(O)=CO1
-3758	mol	CCC(C)C1(CC(O)=CO1)C=C
-3759	mol	CCc(cc1C)c(O)c(O)c1O
-3760	mol	CC(C)Cc1cc(OC=O)co1
-3761	mol	CCC(C)c1cc(OC=O)co1
-3762	mol	CCCCc1cc(OC=O)co1
-3763	mol	CC(C)Cc1cc(OC=O)oc1
-3764	mol	CCC(C)c1cc(OC=O)oc1
-3765	mol	CCCCc1cc(OC=O)oc1
-3766	mol	CCC(C)c1cc(O)oc1C
-3767	mol	CCCCc1cc(O)oc1O
-3768	mol	CCCCc1c(C=O)occ1C
-3769	mol	CC(C)Cc1c(C=O)occ1O
-3770	mol	CCCCc1cc([SiH3])ccc1
-3771	mol	CCCCC1CC([SiH3])CCN1F
-3772	mol	CCC(C)c1cc([SiH3])ncc1Br
-3773	mol	CCC(C)c1cc([SiH3])ncc1Cl
-3774	mol	Cc(ccc1Cl)cc1Br
-3775	mol	CC(C)CC1(Cl)CC=CO1
-3776	mol	CC(C)CC1(Cl)OC=CC1C=C
-3777	mol	Cc(ccc1C#N)cc1Br
-3778	mol	CC(C)Cc1cnccc1C#N
-3779	mol	CC(C)Cc1cnccc1F
-3780	mol	CCC#Cc1cnccc1N
-3781	mol	CCCCc1c(N)cccc1F
-3782	mol	CC(C)Cc1c(N)cccc1N
-3783	mol	CCC(CC1C)OC1C(O)=O
-3784	mol	CCC(CC1C)OC1(O)C(O)=O
-3785	mol	CCCCc1coc(Br)c1C=C
-3786	mol	CCCCc1cocc1
-3787	mol	C=CCCc1cocc1
-3788	mol	C=C=CCc1cocc1
-3789	mol	C=CC=Cc1cocc1
-3790	mol	C=CC#Cc1cocc1
-3791	mol	C#CCCc1cocc1
-3792	mol	C#CC=Cc1cocc1
-3793	mol	C#CC#Cc1cocc1
-3794	mol	CC=C=Cc1cocc1
-3795	mol	CC=C(C)c1cocc1
-3796	mol	CC(C=C)c1cocc1
-3797	mol	CC(C)Cc1cocc1
-3798	mol	CC(C)(C)c1cocc1
-3799	mol	CC(C#C)c1cocc1
-3800	mol	CCC=Cc1cocc1
-3801	mol	CCC(=C)c1cocc1
-3802	mol	CCC(C)c1cocc1
-3803	mol	CCC#Cc1cocc1
-3804	mol	C=CC=CC1=COCC1
-3805	mol	C=CC(=C)C1=COCC1
-3806	mol	C=CC#CC1=COCC1
-3807	mol	C#CC=CC1=COCC1
-3808	mol	C#CC(=C)C1=COCC1
-3809	mol	C#CC#CC1=COCC1
-3810	mol	C#CCCC1=COCC1
-3811	mol	CC(C=C)C1=COCC1
-3812	mol	CC(C)CC1=COCC1
-3813	mol	CCC=CC1=COCC1
-3814	mol	CCCCC1=COCC1
-3815	mol	CCCCc1cocc1Br
-3816	mol	Cc(ccc1C=O)cc1C
-3817	mol	CCCCc1cocc1C
-3818	mol	C=C=CC(c1cocc1)=C
-3819	mol	CC(C)Cc1cocc1C
-3820	mol	CCC(C)c1cocc1C
-3821	mol	CC(C)CC1COC=C1C
-3822	mol	CCC(C)C1COC=C1C
-3823	mol	CCCCc1cocc1CC
-3824	mol	C=C=CC(c1cocc1)=C=C
-3825	mol	C=CC=C(c1cocc1)C=C
-3826	mol	C=CC(=Cc1cocc1)C=C
-3827	mol	C#CC=C(c1cocc1)C#C
-3828	mol	C#CC(=Cc1cocc1)C=C
-3829	mol	C#CC(=Cc1cocc1)C#C
-3830	mol	CC(C)Cc1cocc1CC
-3831	mol	CC(C)(C)c1cocc1C=C
-3832	mol	CC(C)Cc1cocc1C=C
-3833	mol	CC(C)Cc1cocc1C#C
-3834	mol	CC(CCc1cocc1)C=C
-3835	mol	CC(CCc1cocc1)C#C
-3836	mol	CCC=C(c1cocc1)C=C
-3837	mol	CCC(=Cc1cocc1)C=C
-3838	mol	CCC(C)c1cocc1CC
-3839	mol	CCC(C)c1cocc1C=C
-3840	mol	CCC(C)c1cocc1C#C
-3841	mol	CCCCc1cocc1C=C
-3842	mol	CCCCc1cocc1C#C
-3843	mol	CC(C)CC1=COCC1CC
-3844	mol	CC(C)CC1=COCC1C=C
-3845	mol	CC(C)CC1=COCC1C#C
-3846	mol	CCCCc1cocc1CCC
-3847	mol	C#CC=C(c1cocc1)C=C=C
-3848	mol	CC(C)Cc1cocc1C(C)C
-3849	mol	CCC(=Cc1cocc1)C=C=C
-3850	mol	CCC(C)c1cocc1C=C=C
-3851	mol	CCCCc1cocc1C=C=C
-3852	mol	CCCCc1cocc1C(C)C
-3853	mol	CCCCc1cocc1C#N
-3854	mol	Cc(ccc1C=O)cc1C=O
-3855	mol	C=CC=C(c1cocc1)C=O
-3856	mol	CC(C)Cc1cocc1C=O
-3857	mol	CC(CCc1cocc1)C=O
-3858	mol	CCC=C(c1cocc1)C=O
-3859	mol	CCC(C)c1cocc1C=O
-3860	mol	CCCCc1cocc1C=O
-3861	mol	CC(C)(C)C1COCC1C=O
-3862	mol	CC(C)Cc1cocc1C(O)=O
-3863	mol	CC(CCc1cocc1)C(O)=O
-3864	mol	CCC(=Cc1cocc1)C(O)=O
-3865	mol	CCC(C)c1cocc1C(O)=O
-3866	mol	CCCCc1cocc1C(O)=O
-3867	mol	CC(C)C(c1cocc1)N(=O)=O
-3868	mol	Cc(ccc1C=O)cc1O
-3869	mol	CCCCc1cocc1O
-3870	mol	C=C=CC(c1cocc1)=O
-3871	mol	CC(C)Cc1cocc1O
-3872	mol	CCC(C)c1cocc1O
-3873	mol	CC(C)CC1=COCC1O
-3874	mol	CC(C)Cc1cocc1OC=O
-3875	mol	CCC(C)c1cocc1OC=O
-3876	mol	CCCCc1cocc1OC=O
-3877	mol	CC(C)CC1=COCC1OC=O
-3878	mol	CCC(C)c1cocc1[SiH3]
-3879	mol	CC(C)CC1(C)OC=CC1C=C
-3880	mol	CCCCC1(C)OC=CC1CC
-3881	mol	CC(C)CC1(C)OC=CC1O
-3882	mol	CCCCc1c(O)cccc1F
-3883	mol	CCC(C)c1coc(C=C)c1O
-3884	mol	CCCCc1coc(C=C)c1O
-3885	mol	CC(C)Cc1c(O)cccc1O
-3886	mol	CCC(C)c1c(O)cccc1O
-3887	mol	CCCCc1c(O)cccc1O
-3888	mol	CCCCC1C(O)CCCC1O
-3889	mol	CCC(C)c1coc(C=O)c1O
-3890	mol	CCCCc1coc(C=O)c1O
-3891	mol	CC(C)CC1COC(O)=C1C
-3892	mol	CCCCC1C(O)=COC1C
-3893	mol	CCCCC1C(O)=COC1(O)C
-3894	mol	Cc(ccc1C(=O)C=O)cc1C
-3895	mol	Cc(ccc1C(=O)C(O)=O)cc1C
-3896	mol	CCCCc1c(O)occ1C
-3897	mol	CC(CCC1C(O)=O)CC1C=O
-3898	mol	CC(CCC1C(O)=O)CC1O
-3899	mol	CC(C)CC1(C(O)=O)C=COC1
-3900	mol	Cc(ccc1F)cc1C
-3901	mol	Cc(ccc1F)cc1C=C
-3902	mol	Cc(ccc1F)cc1F
-3903	mol	Cc(ccc1F)cc1O
-3904	mol	CC(C)CC1(F)CC=CO1
-3905	mol	CCCCC1(F)CCCO1
-3906	mol	CCC(C)C1(F)CC(CO1)C#N
-3907	mol	CCc(cc1F)cc(F)c1
-3908	mol	CCCCC1(F)CCNCC1
-3909	mol	CCc(cc1F)cc(O)c1
-3910	mol	CC(C)CC1(F)C=COC1CC
-3911	mol	CCc(cc1F)c(F)cc1O
-3912	mol	CCc(cc1F)c(F)c(F)c1F
-3913	mol	CCc(cc1F)c(O)c(O)c1O
-3914	mol	CC(C)CC1(F)OC(Br)CC1
-3915	mol	CCCC(C1N)C(Br)C(CC)CC1CC
-3916	mol	Cc(ccc1N)cc1C
-3917	mol	Cc(ccc1N)cc1C=C
-3918	mol	CC(CCC1N)CC1F
-3919	mol	Cc(ccc1N)cc1N
-3920	mol	CCc(cc1N)cc(C)c1
-3921	mol	CCc(cc1N)cc(C)c1N
-3922	mol	CCc(cc1N)c(CC)cc1C
-3923	mol	CC(C)Cc1nc(C=C)ccc1
-3924	mol	CC(C)(C)C1(N)CCCO1
-3925	mol	CCc(cc1N)cc(C=O)c1N
-3926	mol	CCc(cc1N)c(C)c(O)c1O
-3927	mol	CCc(cc1N)cc(N)c1N
-3928	mol	CCc(cc1N)c(N)cc1O
-3929	mol	CCc(cc1N)c(O)cc1N
-3930	mol	CCc(cc1N)c(O)c(O)c1N
-3931	mol	CCc(cc1)oc1C
-3932	mol	C=CC(CC1)OC1(C=O)C=C
-3933	mol	CCC(CC1)OC1O
-3934	mol	CC(C)CC1OC(Br)=CC1
-3935	mol	CCCC(C1O)C(Br)OC1F
-3936	mol	Cc(ccc1O)cc1C
-3937	mol	Cc(ccc1O)cc1C=C
-3938	mol	CC(CCC1O)CC1C#C
-3939	mol	Cc(ccc1O)cc1C=O
-3940	mol	CC(CCC1O)CC1C=O
-3941	mol	CC(CCC1O)CC1C(O)=O
-3942	mol	Cc(ccc1O)cc1N
-3943	mol	CC(CCC1O)CC1NC=O
-3944	mol	Cc(ccc1O)cc1O
-3945	mol	CCCCc1occc1
-3946	mol	C=CC=Cc1occc1
-3947	mol	C=CC#Cc1occc1
-3948	mol	C#CCCc1occc1
-3949	mol	C#CC=Cc1occc1
-3950	mol	C#CC#Cc1occc1
-3951	mol	CC=C=Cc1occc1
-3952	mol	CC(C=C)c1occc1
-3953	mol	CC(C)Cc1occc1
-3954	mol	CC(C)(C)c1occc1
-3955	mol	CC(C#C)c1occc1
-3956	mol	CCC=Cc1occc1
-3957	mol	CCC(=C)c1occc1
-3958	mol	CCC(C)c1occc1
-3959	mol	CCC#Cc1occc1
-3960	mol	CC(C)Cc1occc1Br
-3961	mol	CCCCc1occc1C
-3962	mol	CC(C)Cc1occc1C
-3963	mol	CCC(C)c1occc1C
-3964	mol	CCC(C)C1OCCC1C
-3965	mol	CCC(C)C1OC=CC1C
-3966	mol	C=CC(=Cc1occc1)C=C
-3967	mol	C#CC=C(c1occc1)C#C
-3968	mol	C#CC(=Cc1occc1)C=C
-3969	mol	CC(C)Cc1occc1CC
-3970	mol	CC(C)(C)c1occc1C=C
-3971	mol	CC(C)Cc1occc1C=C
-3972	mol	CC(C)Cc1occc1C#C
-3973	mol	CC(CCc1occc1)C=C
-3974	mol	CCC(=Cc1occc1)C=C
-3975	mol	CCC(C)c1occc1CC
-3976	mol	CCC(C)c1occc1C=C
-3977	mol	CCCCc1occc1C=C
-3978	mol	CCCCc1occc1C#C
-3979	mol	CC(C)CC1OC=CC1C#C
-3980	mol	CC(C)CC1OC(CC1)C#C
-3981	mol	CCC(C)C1OC=CC1C=C
-3982	mol	CCC(C)C1OC(CC1)C=C
-3983	mol	CCCCC1OC=CC1CC
-3984	mol	CCCCC1OC=CC1C=C
-3985	mol	CC(C)Cc1oc(cc1)C=C=C
-3986	mol	CC(C)Cc1occc1C=C=C
-3987	mol	CC(C)Cc1occc1C(C)C
-3988	mol	CCC(C)c1oc(cc1)C=C=C
-3989	mol	CCC(C)c1occc1C=C=C
-3990	mol	CCCC(c1occc1)=CC=C
-3991	mol	CCCCc1occc1C(C)C
-3992	mol	CCCCC1(OC=CC1C)C=C
-3993	mol	CCCCC1OC=C(C1C)C=C
-3994	mol	C=C=CC(c1occc1)=CC=O
-3995	mol	CCC(C)c1occc1C(C)=O
-3996	mol	CCCCC1(OC=CC1C)C=O
-3997	mol	CC(C)(C)c1occc1C=O
-3998	mol	CC(C)Cc1occc1C=O
-3999	mol	CC(CCc1occc1)C=O
-4000	mol	CCC(=Cc1occc1)C=O
-4001	mol	CCC(C)c1occc1C=O
-4002	mol	CCCCc1occc1C=O
-4003	mol	CC(C)(C)C1OC(CC1)C=O
-4004	mol	CCC(C)C1OCCC1C=O
-4005	mol	CC=C=C(c1occc1)C(O)=O
-4006	mol	CC(C)Cc1occc1C(O)=O
-4007	mol	CCC(=Cc1occc1)C(O)=O
-4008	mol	CCC(C)c1occc1C(O)=O
-4009	mol	CCCCc1occc1C(O)=O
-4010	mol	CCCCc1occc1F
-4011	mol	CCCCc1occc1O
-4012	mol	CC(C)Cc1occc1O
-4013	mol	CC(C)(C)c1occc1O
-4014	mol	CCC(C)c1occc1O
-4015	mol	CC(C)CC1OCCC1O
-4016	mol	CC(C)CC1OC=CC1O
-4017	mol	CCCCC1OC=CC1O
-4018	mol	CC(C)Cc1occc1OC=C
-4019	mol	CC(C)CC1(OC=CC1O)C=C
-4020	mol	CC(C)CC1OC(=CC1O)C=C
-4021	mol	CCCCC1OC(CC1O)C=C
-4022	mol	CC(C)Cc1occc1OC=O
-4023	mol	CCC(C)c1occc1OC=O
-4024	mol	CCCCc1occc1OC=O
-4025	mol	CC(C)CC1OC=CC1OC=O
-4026	mol	CCCCC1OC(=CC1O)C=O
-4027	mol	CCCCC1OC(CC1)OC=O
-4028	mol	CCc(cc1O)cc(C)c1
-4029	mol	CC(C)CC1OC(C)=CC1
-4030	mol	CCCCC1OC(C)=CC1
-4031	mol	CCc(cc1O)cc(C)c1C=C
-4032	mol	CC(C)Cc1oc(C)cc1C#C
-4033	mol	CCC(C)c1oc(C)cc1C#C
-4034	mol	CCc(cc1O)cc(C)c1C=O
-4035	mol	CCc(cc1O)cc(C)c1F
-4036	mol	CCc(cc1O)cc(C)c1O
-4037	mol	CCc(cc1O)c(C)cc1O
-4038	mol	CC(C)(C)c1oc(C=C)cc1
-4039	mol	CC(C)(C)c1oc(C#C)cc1
-4040	mol	CC(C)Cc1oc(C=C)cc1
-4041	mol	CC(C)Cc1oc(C#C)cc1
-4042	mol	CCC(C)c1oc(C=C)cc1
-4043	mol	CCCCc1oc(C=C)cc1
-4044	mol	CCCCc1oc(C#C)cc1
-4045	mol	CCCCC1OC(CC)=CC1
-4046	mol	CCc(cc1O)cc(C=C)c1C
-4047	mol	CCc(cc1O)c(CC)cc1C
-4048	mol	CC(C)Cc1occ(C=C)c1C
-4049	mol	CC(C)Cc1oc(CC)cc1C
-4050	mol	CCc(cc1O)cc(C=C)c1O
-4051	mol	CCc(cc1O)cc(CC)c1O
-4052	mol	CCc(cc1O)c(C)c(C)c1O
-4053	mol	CCc(cc1O)c(C=C)cc1O
-4054	mol	CCC(C)c1occ(C=C)c1O
-4055	mol	CC(C)Cc1oc(C(C)C)cc1
-4056	mol	CC(C)CC1(O)CCCO1
-4057	mol	CC(C)CC1(O)CC=CO1
-4058	mol	CCC(C)C1(O)CCCO1
-4059	mol	CCCCC1(O)CCCO1
-4060	mol	CCCCC1(O)CC=CO1
-4061	mol	CCc(cc1O)cc(C=O)c1C
-4062	mol	CCc(cc1O)c(C)c(O)c1O
-4063	mol	CCCCc1occ(C=O)c1O
-4064	mol	CCC(C)c1oc(C#C[SiH3])cc1
-4065	mol	CCc(cc1O)cc(N)c1
-4066	mol	CCc(cc1O)cc(N)c1O
-4067	mol	CCc(cc1O)cc(O)c1
-4068	mol	CCc(cc1O)cc(O)c1C
-4069	mol	CCc(cc1O)cc(O)c1O
-4070	mol	CC(C)Cc1oc(C=O)cc1
-4071	mol	CCC(C)c1oc(C=O)cc1O
-4072	mol	CC(C)Cc1oc(C(O)=O)cc1
-4073	mol	CCC(C)c1oc(C(O)=O)cc1
-4074	mol	CCCCc1oc(C(O)=O)cc1
-4075	mol	CC(C)Cc1oc(F)cc1C#N
-4076	mol	CCc(cc1O)c(F)cc1F
-4077	mol	CCc(cc1O)c(F)cc1O
-4078	mol	CCc(cc1O)c(F)c(C)c1F
-4079	mol	CCc(cc1O)c(F)c(C)c1O
-4080	mol	CCc(cc1O)c(F)c(N)c1O
-4081	mol	CCc(cc1O)c(N)cc1O
-4082	mol	CCc(cc1O)c(N)c(F)c1O
-4083	mol	CC(C)CC1OC(O)=CC1
-4084	mol	CCC(C)c1oc(O)cc1C
-4085	mol	CC(C)Cc1oc(O)cc1CC
-4086	mol	CCC(C)c1oc(O)cc1C=C
-4087	mol	CCCCc1oc(O)cc1CC
-4088	mol	CC(C)CC1(OC(O)CC1)C=O
-4089	mol	CCc(cc1O)c(O)cc1F
-4090	mol	CCc(cc1O)c(O)cc1O
-4091	mol	CCC(CC1O)C(O)C(C)C1O
-4092	mol	CCCCC1(OC=O)CC=CO1
-4093	mol	CCc(cc1O)c(O)c(N)c1F
-4094	mol	CCc(cc1O)c(O)c(O)c1C
-4095	mol	CC(C)Cc1oc(OC=O)cc1
-4096	mol	CCC(C)c1oc(OC=O)cc1
-4097	mol	CCCCc1oc(OC=O)cc1
-4098	mol	CCc(cc1OC=O)oc1C=C
-4099	mol	CC(C)CC1OC([SiH3])=CC1
-4100	mol	CCCCC1(O)OC=CC1C
-4101	mol	CCC(C)C1(O)OC=CC1C=O
-4102	mol	CCCCC1(O)OCCC1C=O
-4103	mol	CCCCC1(O)OC(CC)CC1
-4104	mol	CCC#CC1([SiH3])CCNCC1
-4105	mol	C=CC(CC2C1CC=CO1)=CO2
-4106	mol	C=CC(CC2C1CCCO1)=CO2
-4107	mol	C#Cc(cc2)c1ccoc1c2F
-4108	mol	C#Cc(cc2)c1ccoc1c2[SiH3]
-4109	mol	C=CC(CC2c1cocc1)=CO2
-4110	mol	C#CC(CC2c1cocc1)=CO2
-4111	mol	C=CC(CC2c1occc1)=CO2
-4112	mol	C#CC(CC2c1occc1)=CO2
-4113	mol	CCCCc2c(c1ccccc1)cc(C=O)cc2O
-4114	mol	CCC(C)C2CC(C1CCCCC1)CC(C2O)C=O
-4115	mol	CCCC(c2ccccc2)c1ccccc1
-4116	mol	CCCCc2cc(ccc2)c1ccccc1
-4117	mol	CC(C)CC2CCCCC2C1CCCCC1
-4118	mol	CCCC(C2CCCCC2)C1CCCCC1
-4119	mol	CC(CCC2CCCCC2)CC1CCCCC1
-4120	mol	CCC(C)C2CCCCC2CCc1ccccc1
-4121	mol	CCC(C)C2CCCC(C2CCc1ccccc1)C(O)=O
-4122	mol	CCCC(C2CCCCC2)(C(C)C=O)c1ccccc1
-4123	mol	CCCCc2ccc(C)cc2c1ccccc1
-4124	mol	Cc(ccc2C=O)cc2c1ccccc1
-4125	mol	C=Cc(cc2)oc2C1CCCO1
-4126	mol	C=Cc(cc2)oc2C1CC=CO1
-4127	mol	C#Cc(cc2)oc2C1CC=CO1
-4128	mol	C=Cc(cc2)oc2C1CCOC1
-4129	mol	C#Cc(cc2)oc2C1CCOC1
-4130	mol	Cc(ccc3c1ccccc1)cc3c2ccccc2
-4131	mol	CCC(C)C3C(CCC(C3O)c2ccccc2)c1ccccc1
-4132	mol	CCC(C)C4C(C(CCC4c1ccccc1)c2ccccc2)c3ccccc3
-4133	mol	CC(C)C=CBr
-4134	mol	CCC=C=CBr
-4135	mol	CCCC(C)Br
-4136	mol	CC(C)CC(Br)Br
-4137	mol	CCC(C)C(Br)=C
-4138	mol	CCCCC(Br)=C
-4139	mol	CC(C)CC(Br)c1cocc1
-4140	mol	CCCC(CBr)CBr
-4141	mol	CC(C)CC(Br)=C=C
-4142	mol	CCC=C=C(Br)CC
-4143	mol	CCC(C)C(Br)=C=C
-4144	mol	CCCC(C)(Br)CC
-4145	mol	CCCCC(Br)CC
-4146	mol	CCCCC(Br)=C=C
-4147	mol	CCCCC(Br)C#C
-4148	mol	CCCCC(Br)CCC
-4149	mol	CC(C)CC(Br)=C=CC=C
-4150	mol	CC(C)CC(Br)=CC=C=C
-4151	mol	CCC(C)C(Br)=CC=C=C
-4152	mol	CCCCC(Br)(CC)CC
-4153	mol	CCCC(C)(Br)CCC=C=C
-4154	mol	CCCCC(Br)=CC(C)CC
-4155	mol	CCCCC(Br)(CCC)CCCC
-4156	mol	CCC(C)C(Br)=C(CC)C=O
-4157	mol	CCC(C)C(Br)=CCl
-4158	mol	CCCCC(Br)=CC#N
-4159	mol	CCCCC(Br)=C(C=O)C=C=C
-4160	mol	CC(C)CC(Br)=C=C([SiH3])C=C=C
-4161	mol	CCCC(C)(Br)C(C[SiH3])N(=O)=O
-4162	mol	CCCCC(Br)C=O
-4163	mol	CCCCC(Br)C(O)CC
-4164	mol	CCC(=C=C(Br)N)N(=O)=O
-4165	mol	CC(C)CC(Br)=O
-4166	mol	CCC#CC(Br)=O
-4167	mol	CCCCC(Br)=O
-4168	mol	CCCCCC
-4169	mol	C=C=CC=C=C
-4170	mol	C=CC=CC=C
-4171	mol	C=CC#CC=C
-4172	mol	C=CCCC=C
-4173	mol	C#CC=CC=C
-4174	mol	C#CC=CC#C
-4175	mol	C#CC(=C)C=C
-4176	mol	C#CC(=C)C#C
-4177	mol	C#CC#CC=C
-4178	mol	C#CC#CC#C
-4179	mol	C#CCC=C=C
-4180	mol	C#CCCC=C
-4181	mol	C#CCCC#C
-4182	mol	CC=C=CC=C
-4183	mol	CC=C(C)C=C
-4184	mol	CC=C(C)C#C
-4185	mol	CC=CC=C=C
-4186	mol	CC(=C=C)C=C
-4187	mol	CC(C=C)C=C
-4188	mol	CC(C)=CC=C
-4189	mol	CC(C)=CC#C
-4190	mol	CC(C)(C)C=C
-4191	mol	CC(C)(C)C#C
-4192	mol	CC(C)C=CC
-4193	mol	CC(C)C=C=C
-4194	mol	CC(C)C(C)C
-4195	mol	CC(C)C(C)=C
-4196	mol	CC(C)C#CC
-4197	mol	CC(C)CC=C
-4198	mol	CC(C)CC#C
-4199	mol	CC(C#C)=C=C
-4200	mol	CC(C#C)C=C
-4201	mol	CC(C#C)C#C
-4202	mol	CC#CCC=C
-4203	mol	CCC=CCC
-4204	mol	CCC=C=CC
-4205	mol	CCC=CC=C
-4206	mol	CCC=CC#C
-4207	mol	CCC(=C)C=C
-4208	mol	CCC(=C)C#C
-4209	mol	CCC(C)CC
-4210	mol	CCC(C)=CC
-4211	mol	CCC(C)=C=C
-4212	mol	CCC(C)(C)C
-4213	mol	CCC(C)C=C
-4214	mol	CCC(C)C#C
-4215	mol	CCC(CC)=C
-4216	mol	CCC#CCC
-4217	mol	CCC#CC=C
-4218	mol	CCC#CC#C
-4219	mol	CCCC=CC
-4220	mol	CCCC=C=C
-4221	mol	CCCC(C)C
-4222	mol	CCCC(C)=C
-4223	mol	CCCC#CC
-4224	mol	CCCCC=C
-4225	mol	CCCCC#C
-4226	mol	CCc(ccc1Br)cc1C=C=C
-4227	mol	CCCc(cc1Br)oc1C=C=C
-4228	mol	CCc(ccc1)cc1C
-4229	mol	CCC(CCC1)CC1C
-4230	mol	CCc(ccc1)cc1F
-4231	mol	CCc(ccc1)cc1N
-4232	mol	CCC(CCC1)CC1N
-4233	mol	CCc(ccc1)cc1O
-4234	mol	CCC(CCC1)CC1O
-4235	mol	C=C=Cc(cc1cc2)oc1cc2
-4236	mol	CC(C)c(cc1cc2)oc1cc2
-4237	mol	CCCc(cc1cc2)oc1cc2
-4238	mol	CCCCC(C1)CC(Br)CC1[SiH3]
-4239	mol	CC(C)CC(C1)CC(Br)CN1Br
-4240	mol	CC(C)Cc(c1)cc(Br)nc1Cl
-4241	mol	CC(C)c(cc1)ccc1C
-4242	mol	CCCc(cc1)ccc1C
-4243	mol	CCCC(CC1)CCC1C
-4244	mol	CCc(ccc1C)cc1CC
-4245	mol	CCCc(cc1)ccc1CC
-4246	mol	CCC(CCC1C)CC1CC
-4247	mol	CCc(ccc1C)cc1C(C)C
-4248	mol	CC(C)c(cc1)ccc1CCC=O
-4249	mol	CCc(ccc1C)cc1C=O
-4250	mol	CCCc(cc1)ccc1F
-4251	mol	CCc(ccc1C)cc1N
-4252	mol	CC(C)c(cc1)ccc1N
-4253	mol	CCCc(cc1)ccc1N
-4254	mol	CCc(ccc1C)cc1O
-4255	mol	C=CCc(cc1)ccc1O
-4256	mol	C#CCc(cc1)ccc1O
-4257	mol	CC=Cc(cc1)ccc1O
-4258	mol	CC(=C)c(cc1)ccc1O
-4259	mol	CC(C)c(cc1)ccc1O
-4260	mol	CC#Cc(cc1)ccc1O
-4261	mol	CCCc(cc1)ccc1O
-4262	mol	CCCC(CC1)CCC1O
-4263	mol	CCc(ccc1C)c(C)c1C
-4264	mol	CCc(ccc1CC)cc1C
-4265	mol	CCC(CCC1C#C)CC1C
-4266	mol	CCc(ccc1C)c(C)c1CC
-4267	mol	CCc(ccc1C=C)cc1CC
-4268	mol	CCc(ccc1CC)cc1CC
-4269	mol	CCC(CCC1CC)CC1CC
-4270	mol	CCC(CCC1CC)CC1C(C)CC
-4271	mol	CCC(CCC1CC)CC1CC(C)C
-4272	mol	C=Cc(ccc1C=C)cc1C=O
-4273	mol	CCC(CCC1CC)CC1C=O
-4274	mol	CCc(ccc1C=C)cc1N
-4275	mol	CCc(ccc1CC)cc1N
-4276	mol	CCC(CCC1CC)CC1N
-4277	mol	CCc(ccc1C)c(C)c1O
-4278	mol	CCc(ccc1C=C)cc1O
-4279	mol	CCc(ccc1CC)cc1O
-4280	mol	CC(C)CC(C1)CC(CC1O)C=O
-4281	mol	CC(C)c(cc1C)cc(C)c1
-4282	mol	CCCc(cc1C)cc(C)c1
-4283	mol	CCCCCc1ccccc1
-4284	mol	C=C=CC=Cc1ccccc1
-4285	mol	C=CC=C=Cc1ccccc1
-4286	mol	C#CCCCc1ccccc1
-4287	mol	C#CC(C=C)c1ccccc1
-4288	mol	C#CC(C#C)c1ccccc1
-4289	mol	C#CC#CCc1ccccc1
-4290	mol	CC(C=C)Cc1ccccc1
-4291	mol	CC(C)CCc1ccccc1
-4292	mol	CC(C)=C(C)c1ccccc1
-4293	mol	CC(C)(C=C)c1ccccc1
-4294	mol	CC(C)C=Cc1ccccc1
-4295	mol	CC(C)C(C)c1ccccc1
-4296	mol	CC(C)C#Cc1ccccc1
-4297	mol	CC(C#C)Cc1ccccc1
-4298	mol	CC(CC=C)c1ccccc1
-4299	mol	CC(CC#C)c1ccccc1
-4300	mol	CC#CC#Cc1ccccc1
-4301	mol	CCC=C=Cc1ccccc1
-4302	mol	CCC=C(C)c1ccccc1
-4303	mol	CCC(=CC)c1ccccc1
-4304	mol	CCC(C)Cc1ccccc1
-4305	mol	CCC(C)=Cc1ccccc1
-4306	mol	CCC(C)(C)c1ccccc1
-4307	mol	CCC(C#C)c1ccccc1
-4308	mol	CCC(CC)c1ccccc1
-4309	mol	CCCC=Cc1ccccc1
-4310	mol	CCCC(=C)c1ccccc1
-4311	mol	CCCC(C)c1ccccc1
-4312	mol	CCCC#Cc1ccccc1
-4313	mol	CCCCCC1CCCCC1
-4314	mol	C=C=CC=CC1CCCCC1
-4315	mol	C=CC=C=CC1CCCCC1
-4316	mol	C=CC#CCC1CCCCC1
-4317	mol	C=CCC#CC1CCCCC1
-4318	mol	C#CCCCC1CCCCC1
-4319	mol	C#CC#CCC1CCCCC1
-4320	mol	CC(C)CCC1CCCCC1
-4321	mol	CC(C)C=CC1CCCCC1
-4322	mol	CC(C)C(C)C1CCCCC1
-4323	mol	CC(C)C#CC1CCCCC1
-4324	mol	CC#CC#CC1CCCCC1
-4325	mol	CCC=C=CC1CCCCC1
-4326	mol	CCC(C)CC1CCCCC1
-4327	mol	CCC(C)=CC1CCCCC1
-4328	mol	CCC(C)(C)C1CCCCC1
-4329	mol	CCC(CC)C1CCCCC1
-4330	mol	CCCC=CC1CCCCC1
-4331	mol	CCCC(C)C1CCCCC1
-4332	mol	CCCC#CC1CCCCC1
-4333	mol	CCCCCC1CCCCC1Br
-4334	mol	CCC(CC)C1CCCCC1Br
-4335	mol	CCc(ccc1C(C)C)cc1C
-4336	mol	CCCCCC1CCCCC1C
-4337	mol	C=CC#CC(C1CCCCC1)=C
-4338	mol	C#CC#CC(C1CCCCC1)=C
-4339	mol	CCC(C)C(C1CCCCC1)=C
-4340	mol	CCC(CC)C1CCCCC1C
-4341	mol	CCCCC(C1CCCCC1)=C
-4342	mol	CCCCCC1CCCCC1CC
-4343	mol	CCC(CC)C1CCCCC1CC
-4344	mol	CCc(cc(C1CCCCC1)cc2C)c2C
-4345	mol	CCCCCc1ccccc1CCC
-4346	mol	CCCCCC1CCCCC1CCC
-4347	mol	CCCC(C)C1CCCCC1CCC
-4348	mol	CCCC(C)C1CCCCC1C(C)C
-4349	mol	CCCCCC1CCCCC1C(C)C
-4350	mol	CCCCCC1CCCCC1CCCC
-4351	mol	CCC(CC)C1CCCCC1CC(C)C
-4352	mol	CCCCCC1CCCCC1CC(C)C
-4353	mol	CCC(C)(Cc1ccccc1)c(ccc2)cc2C
-4354	mol	CCCCCC1CCCCC1CCCCC
-4355	mol	CCCC(C)C1CCCCC1C(CC)CC
-4356	mol	CCCCCC1CCCCC1C(CC)CC
-4357	mol	CCC(C)C(C1CCCCC1)C(CC)CCC=O
-4358	mol	CCC(C)C(C1CCCCC1)C(CC)(CCC=O)C(O)=O
-4359	mol	CCC(C(C)c1ccccc1)C(CC)=O
-4360	mol	CCC(CC)C1CCC(CC1C)C(O)=O
-4361	mol	CCCCCc1ccccc1C=O
-4362	mol	CC(C)(CCC1CCCCC1)C=O
-4363	mol	CC(C)C(C)(C1CCCCC1)C=O
-4364	mol	CCC(CC)(C1CCCCC1)C=O
-4365	mol	CCC(CCC1C(C)C)CC1C=O
-4366	mol	CCCCCC1CCCCC1C=O
-4367	mol	CCC(CC)c1ccc(cc1)C(=O)N
-4368	mol	CC(C)CC(C1CCCCC1)C(=O)N
-4369	mol	CCC(CC)C1CCC(CC1)C(O)=O
-4370	mol	CCCC(C)(C1CCCCC1)C(O)=O
-4371	mol	CCCC(C)C1CCC(CC1)C(O)=O
-4372	mol	C=C=CC=C(c1ccccc1)N
-4373	mol	CCCCCC1CCCCC1N
-4374	mol	CCCC(C)C1CCCCC1N
-4375	mol	CCCCCC1CCCC(C1N)C(O)=O
-4376	mol	CCc(ccc1C)c(C=C)c1O
-4377	mol	CCc(ccc1C)c(CC)c1O
-4378	mol	CCc(ccc1C(C)C)cc1O
-4379	mol	CCCCCc1ccccc1O
-4380	mol	C=CCCCc1ccccc1O
-4381	mol	C=CC(C=C)c1ccccc1O
-4382	mol	C=CC#CC(c1ccccc1)=O
-4383	mol	CC(C=C=C)c1ccccc1O
-4384	mol	CC(C=C)Cc1ccccc1O
-4385	mol	CC(C)CCc1ccccc1O
-4386	mol	CC(C)(C=C)c1ccccc1O
-4387	mol	CC(C)(C)Cc1ccccc1O
-4388	mol	CC(C)C(=C)c1ccccc1O
-4389	mol	CC(C)C(C)c1ccccc1O
-4390	mol	CC(CC=C)c1ccccc1O
-4391	mol	CC(CC#C)c1ccccc1O
-4392	mol	CC(CCCc1ccccc1)=O
-4393	mol	CCC=C(C)c1ccccc1O
-4394	mol	CCC(C=C)c1ccccc1O
-4395	mol	CCC(C)=Cc1ccccc1O
-4396	mol	CCC(C)(C)c1ccccc1O
-4397	mol	CCC(CC)c1ccccc1O
-4398	mol	CCCC=Cc1ccccc1O
-4399	mol	CCCC(=C)c1ccccc1O
-4400	mol	CCCC(C)c1ccccc1O
-4401	mol	CCCC#Cc1ccccc1O
-4402	mol	CCCCCC1CCCCC1O
-4403	mol	CC(C)=C(C)C1CC(C)=CC1=O
-4404	mol	CC(C)(C)C(C1CCCCC1)=O
-4405	mol	CC(C)CC(C1CCCCC1)=O
-4406	mol	CC(C#C)C(C1CCCCC1)=O
-4407	mol	CCC=CC(C1CCCCC1)=O
-4408	mol	CCC(=C)C(C1CCCCC1)=O
-4409	mol	CCC(C)C(C1CCCCC1)=O
-4410	mol	CCC(CC)C1CCCCC1O
-4411	mol	CCCC(CC1CCCCC1)=O
-4412	mol	CCCCC(C1CCCCC1)=O
-4413	mol	CCCCc(c1C)c(ccc1O)NC=O
-4414	mol	CCCCCC1CCCCCCC1
-4415	mol	CC(C)CCC1CCCCCCC1
-4416	mol	CCC(CC)C1CCCCCCC1
-4417	mol	CCCC(CC1CC)CC(CC)C1
-4418	mol	CCCCCC1CCC(CC)CC1CC
-4419	mol	CC(C)CC(C1CCCCCCC1)C(O)=O
-4420	mol	CCCCCC1CCCC(CCC1)C(O)=O
-4421	mol	CC(C)CC(C1CCCCCCC1)NN
-4422	mol	CCCCCC1CC(CC(C)C)CCC1
-4423	mol	CCCCCC1CCC(CC(C)C)CC1
-4424	mol	CCCc(cc1CCC)cc(C=O)c1C=O
-4425	mol	CCC(C)Cc1cc(C)cc(C=O)c1C=O
-4426	mol	CCCCCc1cc(C)cc(C=O)c1C=O
-4427	mol	CCCc(cc1C)c(C)c(C=O)c1C
-4428	mol	CCC(C)Cc1c(C)cc(C=O)cc1C
-4429	mol	CCCCCc1c(C)cc(C=O)cc1C
-4430	mol	C=C=CC=Cc1ccccn1
-4431	mol	C=CCCCC1CCCCN1
-4432	mol	C=C=CC=CC1CCCCN1
-4433	mol	C=CC=C=CC1CCCCN1
-4434	mol	CCC(C)CC1CCCCN1
-4435	mol	C=C=CC=C(c1ccccn1)N
-4436	mol	CC(C)C(CC1C=C=C)=CO1
-4437	mol	CCCc(cc1C)cc(C=O)c1C=O
-4438	mol	CCC(C)(C)c1ccc(C=O)cc1
-4439	mol	CCC(C)Cc1ccc(C=O)cc1
-4440	mol	CCCC(C)c1ccc(C=O)cc1
-4441	mol	CCCCCc1ccc(C=O)cc1
-4442	mol	C=C=CC#Cc1cccnc1
-4443	mol	C=CC=C=Cc1cccnc1
-4444	mol	C=C=CC=CC1CCCNC1
-4445	mol	C=CC=C=CC1CCCNC1
-4446	mol	CC(C)C=CC1CCCNC1
-4447	mol	CCCCCC1CCCO1
-4448	mol	C=C=CC=CC1CCCO1
-4449	mol	C=C=CC=CC1=CCCO1
-4450	mol	C=C=CC=CC1CC=CO1
-4451	mol	C=CC=C=CC1CCCO1
-4452	mol	C=CC=C=CC1CC=CO1
-4453	mol	C=CCC#CC1CCCO1
-4454	mol	C#CCCCC1CCCO1
-4455	mol	C#CC#CCC1CC=CO1
-4456	mol	CC=C(C#C)C1=CCCO1
-4457	mol	CC(C)CCC1CCCO1
-4458	mol	CC(C)(C)CC1CCCO1
-4459	mol	CC(C)(C)CC1CC=CO1
-4460	mol	CC(C)C=CC1CCCO1
-4461	mol	CC(C)C=CC1=CCCO1
-4462	mol	CC(C)C=CC1CC=CO1
-4463	mol	CC(C)C(=C)C1=CCCO1
-4464	mol	CC(C)C(C)C1CCCO1
-4465	mol	CC(C)C(C)C1=CCCO1
-4466	mol	CC(C)C(C)C1CC=CO1
-4467	mol	CC(C)C#CC1CCCO1
-4468	mol	CC(C)C#CC1CC=CO1
-4469	mol	CC(C)CCC1=CCCO1
-4470	mol	CC(C)CCC1CC=CO1
-4471	mol	CC(CC=C)C1CC=CO1
-4472	mol	CC(CC#C)C1CC=CO1
-4473	mol	CCC=C=CC1CC=CO1
-4474	mol	CCC=C(C)C1CC=CO1
-4475	mol	CCC(C)CC1CCCO1
-4476	mol	CCC(C)=CC1CCCO1
-4477	mol	CCC(C)CC1CC=CO1
-4478	mol	CCCC=CC1CCCO1
-4479	mol	CCCC=CC1=CCCO1
-4480	mol	CCCC=CC1CC=CO1
-4481	mol	CCCC(C)C1CCCO1
-4482	mol	CCCC(C)C1CC=CO1
-4483	mol	CCCC(CC1C=C)=CO1
-4484	mol	CCCC#CC1CCCO1
-4485	mol	CCCC#CC1=CCCO1
-4486	mol	CCCC#CC1CC=CO1
-4487	mol	CCCCCC1=CCCO1
-4488	mol	C=CC#CC(C1CC=CO1)=C
-4489	mol	C=CC#CC(C1CCCO1)=C
-4490	mol	CC(C)CC(C1CC=CO1)=C
-4491	mol	CC(C)CC(C1CCCO1)=C
-4492	mol	CCC(C)C(C1CC=CO1)=C
-4493	mol	CCC#CC(C1CC=CO1)=C
-4494	mol	CCCCC(C1CC=CO1)=C
-4495	mol	CCCCC(C1CCCO1)=C
-4496	mol	C#CC(CCC1CCCO1)C#C
-4497	mol	CC(C)C(=CC1CC=CO1)C#C
-4498	mol	CC(C)C(CC1CCCO1)C=C
-4499	mol	CC(C)CC(C1CC=CO1)C=C
-4500	mol	CC(C)CC(C1CCCO1)=C=C
-4501	mol	CC(C#C)=C(C1CCCO1)C#C
-4502	mol	CCCCC(C1CC=CO1)C=C
-4503	mol	CCCCC(C1CCCO1)=C=C
-4504	mol	CC(C=C)=C(C1CC=CO1)C=O
-4505	mol	CC(C)CC(C1CC=CO1)=CO
-4506	mol	CC(C)CC(C1CC=CO1)C=O
-4507	mol	CCC(C)(CC1CCCO1)C=O
-4508	mol	CCCCC(C1CC=CO1)=CO
-4509	mol	CCCCC(C1CCCO1)C=O
-4510	mol	C=C=CC=C(C1CCCO1)N
-4511	mol	CC(C)(C)C(C1CC=CO1)=O
-4512	mol	CC(C)(C)C(C1CCCO1)=O
-4513	mol	CC(C)CC(C1CC=CO1)=O
-4514	mol	CC(C)CC(C1CCCO1)=O
-4515	mol	CCC(C)C(C1CCCO1)=O
-4516	mol	CCCc(cc1C)c(C=O)cc1C(C)C
-4517	mol	CCC(C)c(c1)cc(C=O)cc1O
-4518	mol	CCC(C)c(c1C)c(C=O)ccc1C
-4519	mol	CCCc(cc1C)c(C=O)c(C)c1CC
-4520	mol	CC(C)c(cc1C)c(C=O)c(C)c1C(C)C
-4521	mol	CCCc(cc1C)c(C=O)c(C(C)C)c1CC
-4522	mol	CCCc(cc1C)c(C=O)c(C=O)c1CC
-4523	mol	C=CCCCc1ccncc1
-4524	mol	C=C=CC=Cc1ccncc1
-4525	mol	C=CC=C=Cc1ccncc1
-4526	mol	C=CC=C=CC1CCNCC1
-4527	mol	CCCCCC1CCOC1
-4528	mol	C=C=CC=CC1CCOC1
-4529	mol	C=C=CC=CC1C=COC1
-4530	mol	C=CC=C=CC1CCOC1
-4531	mol	C=CC=C=CC1C=COC1
-4532	mol	C#CC=C=CC1C=COC1
-4533	mol	CC(C)CCC1CCOC1
-4534	mol	CC(C)(C)CC1CCOC1
-4535	mol	CC(C)C=CC1C=COC1
-4536	mol	CC(C)CCC1C=COC1
-4537	mol	CCC=C=CC1CCOC1
-4538	mol	CCC=C(C)C1CCOC1
-4539	mol	CCC(C)CC1CCOC1
-4540	mol	CCCC=CC1CCOC1
-4541	mol	CCCC=CC1C=COC1
-4542	mol	CCCC(C)C1CCOC1
-4543	mol	CCCC(C)C1C=COC1
-4544	mol	CCCC#CC1C=COC1
-4545	mol	C=CC#CC(C1CCOC1)=C
-4546	mol	CC(C)CC(C1CCOC1)=C
-4547	mol	CC(C)c(cc1C=C)oc1C=C
-4548	mol	CCCc(cc1CC)oc1C#C
-4549	mol	C#CC(C=C)c1ccoc1C#C
-4550	mol	C=CC=C=C(C1CCOC1)C=C
-4551	mol	C#CC=C=C(C1C=COC1)C=C
-4552	mol	C#CCC(CC1CCOC1)C#C
-4553	mol	CC(C)C=C(C1C=COC1)C#C
-4554	mol	CC(C)C=C(C1CCOC1)C#C
-4555	mol	CC(C)C(C)(C1CCOC1)C=C
-4556	mol	CC(C#C)=C(C1CCOC1)C#C
-4557	mol	CCC(CCC1C=COC1)C=C
-4558	mol	CCCC=C(C1CCOC1)C=C
-4559	mol	CCCC(CC1CCOC1)C=C
-4560	mol	C=C=CC(=CC1CCOC1)C=O
-4561	mol	CCCCC(C1C=COC1)C=O
-4562	mol	CCC(C)C(C1CCOC1)=O
-4563	mol	CC(C)C(C)c1c(C=O)c(C=O)ccc1C
-4564	mol	CC(C)CCc1c(C=O)c(C=O)ccc1C
-4565	mol	CCCC(C)c1c(C=O)c(C=O)ccc1C
-4566	mol	CCCCCc1c(C=O)c(C=O)ccc1C
-4567	mol	CCC(CCC1C#N)CC1O
-4568	mol	CCCCCc1cocc1
-4569	mol	C=CCCCc1cocc1
-4570	mol	C=C=CC=Cc1cocc1
-4571	mol	C=CC=C=Cc1cocc1
-4572	mol	C#CCCCc1cocc1
-4573	mol	C#CC(C=C)c1cocc1
-4574	mol	C#CC(C#C)c1cocc1
-4575	mol	C#CC#CCc1cocc1
-4576	mol	CC(C=C=C)c1cocc1
-4577	mol	CC(C=C)Cc1cocc1
-4578	mol	CC(C)CCc1cocc1
-4579	mol	CC(C)(C)Cc1cocc1
-4580	mol	CC(C)C=Cc1cocc1
-4581	mol	CC(C)C(=C)c1cocc1
-4582	mol	CC(C)C(C)c1cocc1
-4583	mol	CC(C)C#Cc1cocc1
-4584	mol	CC(C#C)Cc1cocc1
-4585	mol	CC(CC=C)c1cocc1
-4586	mol	CC#CC#Cc1cocc1
-4587	mol	CCC=C=Cc1cocc1
-4588	mol	CCC=C(C)c1cocc1
-4589	mol	CCC(=CC)c1cocc1
-4590	mol	CCC(C)Cc1cocc1
-4591	mol	CCC(C)(C)c1cocc1
-4592	mol	CCC(C#C)c1cocc1
-4593	mol	CCC(CC)c1cocc1
-4594	mol	CCCC=Cc1cocc1
-4595	mol	CCCC(=C)c1cocc1
-4596	mol	CCCC(C)c1cocc1
-4597	mol	CCCC#Cc1cocc1
-4598	mol	C=C=CC=CC1=COCC1
-4599	mol	C=C=CC(=C)C1=COCC1
-4600	mol	C=CC(C=C)C1=COCC1
-4601	mol	C=CCC#CC1=COCC1
-4602	mol	C#CC(C=C)C1=COCC1
-4603	mol	C#CCC#CC1=COCC1
-4604	mol	CC(C)(C#C)C1=COCC1
-4605	mol	CC(C)C#CC1=COCC1
-4606	mol	CC(C)CCC1=COCC1
-4607	mol	CC(C#C)CC1=COCC1
-4608	mol	CCC(CC)C1=COCC1
-4609	mol	CCCC(=C)C1=COCC1
-4610	mol	CCCCCC1=COCC1
-4611	mol	CCc(ccc1C=O)cc1C
-4612	mol	C=CC=CC(c1cocc1)=C
-4613	mol	C#CC#CC(c1cocc1)=C
-4614	mol	CCc(ccc1C=O)cc1CC
-4615	mol	C=C=CC=C(c1cocc1)C=C
-4616	mol	C=CC=C=C(c1cocc1)C=C
-4617	mol	C#CC(CCc1cocc1)C=C
-4618	mol	CC(C)C(=Cc1cocc1)C#C
-4619	mol	CC(C)CC(c1cocc1)=C=C
-4620	mol	CC(C#C)=C(c1cocc1)C#C
-4621	mol	CCCC=C(c1cocc1)C=C
-4622	mol	CCCC=C(c1cocc1)C#C
-4623	mol	CCCC(=Cc1cocc1)C=C
-4624	mol	CCCC(=Cc1cocc1)C#C
-4625	mol	CCCCC(c1cocc1)=C=C
-4626	mol	C=CC#CC(c1cocc1)=CN
-4627	mol	CCc(ccc1C=O)cc1CO
-4628	mol	CCc(ccc1C=O)cc1C=O
-4629	mol	C=C=CC(=Cc1cocc1)C=O
-4630	mol	CC(C)C=C(c1cocc1)C=O
-4631	mol	C#CC(=C)C(c1cocc1)=O
-4632	mol	CCCc(cc1C=O)cc(C(O)=O)c1C
-4633	mol	CCCc(cc1C=O)c(C(O)=O)cc1C
-4634	mol	CCC(CCC1C(=O)N)CC1C
-4635	mol	CCC(CCC1C(O)=O)CC1C
-4636	mol	CCc(ccc1C(O)=O)cc1N
-4637	mol	CCc(ccc1C(O)=O)cc1O
-4638	mol	CCCC(CC1C(O)=O)=CO1
-4639	mol	CCc(ccc1F)cc1F
-4640	mol	CCc(ccc1F)cc1O
-4641	mol	CCc(ccc1F)c(C=C)c1O
-4642	mol	CCc(ccc1F)c(C=O)c1O
-4643	mol	CCc(ccc1F)c(F)c1F
-4644	mol	CCc(ccc1F)c(F)c1O
-4645	mol	CC(C)c(cc1F)c(F)cc1O
-4646	mol	CCCc(cc1F)c(F)cc1O
-4647	mol	C=CC(CCC1F)CN1N(=O)=O
-4648	mol	CCCC(CC1F)=CO1
-4649	mol	CCc(ccc1F)c(O)c1O
-4650	mol	CCc(ccc1N)cc1C
-4651	mol	CCc(ccc1N)cc1F
-4652	mol	CCc(ccc1N)cc1N
-4653	mol	CCC(CCC1N)CC1N(N)N
-4654	mol	CCc(ccc1N)cc1O
-4655	mol	CCCc(cc1N)cc(C)c1
-4656	mol	CCCC(CC1N)CC(CC)C1
-4657	mol	CC(C)c(cc1N)cc(N)c1
-4658	mol	CCc(ccc1N)c(F)c1O
-4659	mol	CC(C)c(cc1N)c(F)cc1O
-4660	mol	CCc(ccc1N)c(N)c1N
-4661	mol	CCc(ccc1N)c(O)c1O
-4662	mol	CCc(ccc1o2)cc1cc2[SiH3]
-4663	mol	CC(C)c(cc1)oc1C
-4664	mol	CCCc(cc1)oc1C
-4665	mol	CCCC(CC1)OC1C
-4666	mol	CCCC(CC1)OC1(CC)C=C
-4667	mol	CCCC(CC1)OC1F
-4668	mol	CC(C)c(cc1)oc1O
-4669	mol	CCCc(cc1)oc1O
-4670	mol	CC(C)C(CC1)OC1O
-4671	mol	CCCC(CC1)OC1O
-4672	mol	CCCC(CC1)OC1(O)C(O)=O
-4673	mol	CCc(ccc1O)cc1C
-4674	mol	CCC(CCC1O)CC1C
-4675	mol	CCc(ccc1O)cc1CC
-4676	mol	CCc(ccc1O)cc1C=C
-4677	mol	CCc(ccc1O)cc1C=O
-4678	mol	CCC(CCC1O)CC1C=O
-4679	mol	CCc(ccc1O)cc1C(O)=O
-4680	mol	CCc(ccc1O)cc1N
-4681	mol	CCc(ccc1O)cc1O
-4682	mol	CCC(CCC1O)C(C1O)C=O
-4683	mol	CCCCCc1occc1
-4684	mol	C=C=CC=Cc1occc1
-4685	mol	C=CC=C=Cc1occc1
-4686	mol	CC(C=C=C)c1occc1
-4687	mol	CC(C)(C)Cc1occc1
-4688	mol	CC(C)C=Cc1occc1
-4689	mol	CC(C)C(C)c1occc1
-4690	mol	CC(C)C#Cc1occc1
-4691	mol	CC(C#C)Cc1occc1
-4692	mol	CCC=C=Cc1occc1
-4693	mol	CCC(=CC)c1occc1
-4694	mol	CCC(C)Cc1occc1
-4695	mol	CCC(C)=Cc1occc1
-4696	mol	CCC(C#C)c1occc1
-4697	mol	CCCC=Cc1occc1
-4698	mol	CCCC(=C)c1occc1
-4699	mol	CCCC#Cc1occc1
-4700	mol	CCc(ccc1O)c(C)c1C
-4701	mol	C=CC#CC(c1occc1)=C
-4702	mol	CCc(ccc1O)c(C)c1CC
-4703	mol	C=C=CC=C(c1occc1)C#N
-4704	mol	C=CC#CC(c1occc1)=CN
-4705	mol	C#CC(=C)C(c1occc1)=O
-4706	mol	CCCCCC1OCCC1O
-4707	mol	CC(C)c(cc1O)cc(C)c1
-4708	mol	CCCc(cc1O)cc(C)c1
-4709	mol	CCc(ccc1O)c(CC)c1N
-4710	mol	CCc(ccc1O)c(C=C)c1O
-4711	mol	CCc(ccc1O)c(CC)c1O
-4712	mol	CC(C)c(cc1O)c(C)cc1O
-4713	mol	CCCc(cc1O)cc(CC)c1
-4714	mol	CCCC(CC1O)=C(CC)O1
-4715	mol	CCCc(cc1O)cc(C=O)c1C
-4716	mol	CC(C)c(cc1O)cc(N)c1
-4717	mol	CC(C)c(cc1O)cc(O)c1
-4718	mol	CCCc(cc1O)cc(O)c1
-4719	mol	CCc(ccc1O)c(C=O)c1C
-4720	mol	CCc(ccc1O)c(C=O)c1N
-4721	mol	CC(C)c(cc1O)cc(O)c1O
-4722	mol	CCc(ccc1O)c(F)c1N
-4723	mol	CCc(ccc1O)c(O)c1C
-4724	mol	CCc(ccc1O)c(O)c1O
-4725	mol	CC(C)c(cc1O)c(O)cc1F
-4726	mol	CCCc(cc1O)c(O)cc1O
-4727	mol	CC(C)c(cc1O)oc1C
-4728	mol	CCCc(cc1O)oc1C=C=C
-4729	mol	CCCC(CC1O)OC1C(O)=O
-4730	mol	CC(C)c(cc1O)oc1OC=O
-4731	mol	CCCc(cc1O)oc1OC=O
-4732	mol	CCCc(cc1[SiH3])oc1C=C=C
-4733	mol	CCc(ccc2c1ccccc1)cc2F
-4734	mol	CC(C)Cc(c2CC)c(c1ccccc1)cc(C=O)c2CC
-4735	mol	CCCCc(c2CC)c(c1ccccc1)cc(C=O)c2CC
-4736	mol	CC(C)C(C)c2c(C)c(c1ccccc1)cc(C=O)c2CC
-4737	mol	CC(C)CCc2c(C)c(c1ccccc1)cc(C=O)c2CC
-4738	mol	CCCC(C)c2c(C)c(c1ccccc1)cc(C=O)c2CC
-4739	mol	CCCCCc2c(C)c(c1ccccc1)cc(C=O)c2CC
-4740	mol	CCC(C)c(c2)cc(cc2O)c1ccccc1
-4741	mol	CCCCc(c2)cc(cc2O)c1ccccc1
-4742	mol	CC(CCCc2ccccc2)C1CCCCC1
-4743	mol	CCC(CCC2CCCCC2)C(CC)C1CCCCC1
-4744	mol	CC(C)C(C)c2c(C=O)cc(c1ccccc1)c(C)c2CC
-4745	mol	CC(C)CCc2c(C=O)cc(c1ccccc1)c(C)c2CC
-4746	mol	CCCC(C)c2c(C=O)cc(c1ccccc1)c(C)c2CC
-4747	mol	CCCCCc2c(C=O)cc(c1ccccc1)c(C)c2CC
-4748	mol	CCCCc(c2O)c(c1ccccc1)cc(C=O)c2C=O
-4749	mol	CCC(C)C(C2O)C(CCC2C=O)c1ccccc1
-4750	mol	CCC(C)C(C3O)C(C(C2CCCCC2)CC3C=O)c1ccccc1
-4751	mol	CCCCCCBr
-4752	mol	CC(C)(C)C=CBr
-4753	mol	CC(C)C=C=CBr
-4754	mol	CC(C)CC(C)Br
-4755	mol	CC(C)CC#CBr
-4756	mol	CCCC=C=CBr
-4757	mol	CCCCC=CBr
-4758	mol	CCCCC(C)Br
-4759	mol	CC(C)CC(C)(Br)CC
-4760	mol	CC(CC=C)C(Br)C#C
-4761	mol	CCCCC(C)(Br)CCC=C=C
-4762	mol	CCC=C=CC(Br)=C=C(F)Br
-4763	mol	CCCCC(=CBr)C#N
-4764	mol	CCC(C)CC(Br)C(O)=O
-4765	mol	C#CCCC(C)(Br)N(=O)=O
-4766	mol	CCCC(=C=CBr)N(=O)=O
-4767	mol	CCCCC(C)(Br)N(=O)=O
-4768	mol	CC(C)CC(CBr)=O
-4769	mol	CC(C)CCC(Br)=O
-4770	mol	CCC(C)c(c(Br)oc1N)c1[SiH3]
-4771	mol	CCCCc(c(Br)oc1N)c1[SiH3]
-4772	mol	CCCCCCC
-4773	mol	C=C=C(C=C)C=C
-4774	mol	C=C=CC=CC=C
-4775	mol	C=C=CC(=C)C#C
-4776	mol	C=C=CC#CC=C
-4777	mol	C=C=CCC=C=C
-4778	mol	C=CC=C=CC=C
-4779	mol	C=CC(C=C)C=C
-4780	mol	C=CCC#CC#C
-4781	mol	C=CCCCC=C
-4782	mol	C#CC=C=CC=C
-4783	mol	C#CC=CC=C=C
-4784	mol	C#CC(=C=C)C=C
-4785	mol	C#CC(C#C)C=C
-4786	mol	C#CC(C#C)C#C
-4787	mol	C#CCC#CC#C
-4788	mol	C#CCCCC=C
-4789	mol	C#CCCCC#C
-4790	mol	CC=C=CC=C=C
-4791	mol	CC=C(C#C)C#C
-4792	mol	CC=CC=CC#C
-4793	mol	CC=CC#CC=C
-4794	mol	CC(=C=C)C=C=C
-4795	mol	CC(C=C)=CC=C
-4796	mol	CC(C=C)=CC#C
-4797	mol	CC(C)=C(C)C#C
-4798	mol	CC(C)(C=C)C=C
-4799	mol	CC(C)(C)C=CC
-4800	mol	CC(C)(C)C=C=C
-4801	mol	CC(C)(C)CC=C
-4802	mol	CC(C)(C)CC#C
-4803	mol	CC(C)(C#C)C=C
-4804	mol	CC(C)(C#C)C#C
-4805	mol	CC(C)C=C=CC
-4806	mol	CC(C)C=CC=C
-4807	mol	CC(C)C=CC#C
-4808	mol	CC(C)C(=C)C=C
-4809	mol	CC(C)C(=C)C#C
-4810	mol	CC(C)C(C)=CC
-4811	mol	CC(C)C(C)(C)C
-4812	mol	CC(C)C(C)C=C
-4813	mol	CC(C)C(C)C#C
-4814	mol	CC(C)C#CC=C
-4815	mol	CC(C)C#CC#C
-4816	mol	CC(C)CC=CC
-4817	mol	CC(C)CC=C=C
-4818	mol	CC(C)CC(C)C
-4819	mol	CC(C)CC(C)=C
-4820	mol	CC(C)CC#CC
-4821	mol	CC(C)CCC=C
-4822	mol	CC(C)CCC#C
-4823	mol	CC(C#C)=CC=C
-4824	mol	CC(C#C)=CC#C
-4825	mol	CC(C#C)C=C=C
-4826	mol	CC(CC=C)C=C
-4827	mol	CC(CC#C)C=C
-4828	mol	CC(CC#C)C#C
-4829	mol	CC#CC#CC=C
-4830	mol	CC#CC#CC#C
-4831	mol	CCC=C=CCC
-4832	mol	CCC=C=CC=C
-4833	mol	CCC=C=CC#C
-4834	mol	CCC=C(C)CC
-4835	mol	CCC=C(C)C=C
-4836	mol	CCC=C(C)C#C
-4837	mol	CCC=CC=C=C
-4838	mol	CCC=CC(C)C
-4839	mol	CCC(=C=C)C=C
-4840	mol	CCC(=C)C=C=C
-4841	mol	CCC(=CC)C=C
-4842	mol	CCC(C=C)C=C
-4843	mol	CCC(C(C)C)=C
-4844	mol	CCC(C)=C(C)C
-4845	mol	CCC(C)=CC=C
-4846	mol	CCC(C)=CC#C
-4847	mol	CCC(C)(C)CC
-4848	mol	CCC(C)(C)C=C
-4849	mol	CCC(C)(C)C#C
-4850	mol	CCC(C)C=CC
-4851	mol	CCC(C)C=C=C
-4852	mol	CCC(C)C(C)C
-4853	mol	CCC(C)C(C)=C
-4854	mol	CCC(C)C#CC
-4855	mol	CCC(C)CC=C
-4856	mol	CCC(C)CC#C
-4857	mol	CCC(C#C)=C=C
-4858	mol	CCC(C#C)C=C
-4859	mol	CCC(C#C)C#C
-4860	mol	CCC(CC)CC
-4861	mol	CCC(CC)=CC
-4862	mol	CCC(CC)C=C
-4863	mol	CCC(CC)C#C
-4864	mol	CCC#CC(C)C
-4865	mol	CCC#CC#CC
-4866	mol	CCCC=CCC
-4867	mol	CCCC=C(C)C
-4868	mol	CCCC=CC=C
-4869	mol	CCCC=CC#C
-4870	mol	CCCC(=C)C=C
-4871	mol	CCCC(=C)C#C
-4872	mol	CCCC(C)CC
-4873	mol	CCCC(C)=CC
-4874	mol	CCCC(C)(C)C
-4875	mol	CCCC(C)C=C
-4876	mol	CCCC(C)C#C
-4877	mol	CCCC(CC)=C
-4878	mol	CCCC#CCC
-4879	mol	CCCC#CC=C
-4880	mol	CCCC#CC#C
-4881	mol	CCCCC=CC
-4882	mol	CCCCC=C=C
-4883	mol	CCCCC(C)C
-4884	mol	CCCCC(C)=C
-4885	mol	CCCCC#CC
-4886	mol	CCCCCC=C
-4887	mol	CCCCCC#C
-4888	mol	CC(C)c(ccc1Br)cc1C#N
-4889	mol	CCc(cccc1C)c1C
-4890	mol	CC(C)c(ccc1)cc1C
-4891	mol	CCCc(ccc1)cc1C
-4892	mol	CCC(CCCC1C)C1C
-4893	mol	CCCC(CCC1)CC1C
-4894	mol	CCc(cccc1C)c1CC
-4895	mol	CCCc(ccc1)cc1CC
-4896	mol	CCCC(CCC1)CC1CC
-4897	mol	CCc(cccc1C)c1C(C)C
-4898	mol	CC(C)c(ccc1)cc1CCC=O
-4899	mol	CCCc(ccc1)cc1Cl
-4900	mol	CCc(cccc1C)c1C=O
-4901	mol	CCc(cccc1C)c1C(O)=O
-4902	mol	CCC(C(CCC1)CC1C=O)=O
-4903	mol	CC(C)c(ccc1)cc1F
-4904	mol	CC(C)c(ccc1)cc1N
-4905	mol	CCCc(ccc1)cc1N
-4906	mol	CCC(CCCC1C)C1N
-4907	mol	CCCC(CCC1)CC1N
-4908	mol	CCc(cccc1C)c1O
-4909	mol	C=CCc(ccc1)cc1O
-4910	mol	CC=Cc(ccc1)cc1O
-4911	mol	CC(C)c(ccc1)cc1O
-4912	mol	CC#Cc(ccc1)cc1O
-4913	mol	CCCc(ccc1)cc1O
-4914	mol	CC(C)C(CCC1)CC1O
-4915	mol	CCCC(CCC1)CC1O
-4916	mol	CC(C)CC(CC1)CCC1Br
-4917	mol	CC(C)c(ccc1C)cc1C
-4918	mol	CC(C)Cc(cc1)ccc1C
-4919	mol	CCC(C)c(cc1)ccc1C
-4920	mol	CCCCc(cc1)ccc1C
-4921	mol	CCC(C)C(CC1)CCC1C
-4922	mol	CCCCC(CC1)CCC1C
-4923	mol	CC(C)Cc(cc1)ccc1CC
-4924	mol	CCC(C)c(cc1)ccc1CC
-4925	mol	CCCCc(cc1)ccc1CC
-4926	mol	CCCCC(CC1)CCC1CC
-4927	mol	CCC(C)c(cc1)ccc1C(C)C
-4928	mol	CC(CCc(cc1)ccc1C)C=O
-4929	mol	CC(C)(C)c(cc1)ccc1Cl
-4930	mol	CC(C)CC(CC1)CCC1Cl
-4931	mol	CCCCC(CC1)CCC1Cl
-4932	mol	CC(C)c(ccc1C)cc1C=O
-4933	mol	CCCc(ccc1C)cc1C=O
-4934	mol	CC(C)C(CCC1C)CC1C=O
-4935	mol	CCCc(ccc1C)cc1C(=O)C(O)=O
-4936	mol	CC(C)Cc(cc1)ccc1F
-4937	mol	CCCc(ccc1C)cc1N
-4938	mol	CC(C)(C)c(cc1)ccc1N
-4939	mol	CC(C)Cc(cc1)ccc1N
-4940	mol	CCC(C)c(cc1)ccc1N
-4941	mol	CCCCc(cc1)ccc1N
-4942	mol	CC(C)CC(CC1)CCC1N
-4943	mol	CCCCC(CC1)CCC1N
-4944	mol	CCCc(ccc1C)cc1O
-4945	mol	C=CCCc(cc1)ccc1O
-4946	mol	CC(C=C)c(cc1)ccc1O
-4947	mol	CC(C)=Cc(cc1)ccc1O
-4948	mol	CC(C)(C)c(cc1)ccc1O
-4949	mol	CC(C)Cc(cc1)ccc1O
-4950	mol	CCC=Cc(cc1)ccc1O
-4951	mol	CCC(=C)c(cc1)ccc1O
-4952	mol	CCC(C)c(cc1)ccc1O
-4953	mol	CCCCc(cc1)ccc1O
-4954	mol	CC(C)CC(CC1)CCC1O
-4955	mol	CCCCC(CC1)CCC1O
-4956	mol	CCCCc(cc1)ccc1OC
-4957	mol	CCCCC(CC1)CCC1OC
-4958	mol	CCCCC(CC1)CCC1ON
-4959	mol	CCCC(C(CC1)CCC1O)=O
-4960	mol	CCCC(CCC1CC)CC1C=O
-4961	mol	CC(C)c(ccc1C=C)cc1N
-4962	mol	CCCc(ccc1C=C)cc1N
-4963	mol	CCCCCc(c1)cc(cc1N)NC=O
-4964	mol	CC(C)c(ccc1C=C)cc1O
-4965	mol	CCCc(ccc1C=C)cc1O
-4966	mol	CCCCCCc1ccccc1
-4967	mol	C=CCCCCc1ccccc1
-4968	mol	C=C=CCCCc1ccccc1
-4969	mol	C=CC(=C)C#Cc1ccccc1
-4970	mol	C=CC#CC=Cc1ccccc1
-4971	mol	C=CC#CC#Cc1ccccc1
-4972	mol	C=CCC(C=C)c1ccccc1
-4973	mol	C#CCCCCc1ccccc1
-4974	mol	C#CC(C=C)Cc1ccccc1
-4975	mol	C#CC#CC=Cc1ccccc1
-4976	mol	C#CC#CC#Cc1ccccc1
-4977	mol	C#CCC(C#C)c1ccccc1
-4978	mol	CC(C)CCCc1ccccc1
-4979	mol	CC(C)(C=C)Cc1ccccc1
-4980	mol	CC(C)C(C=C)c1ccccc1
-4981	mol	CC(C)C(C)Cc1ccccc1
-4982	mol	CC(C)C(C)(C)c1ccccc1
-4983	mol	CC(C)C(C#C)c1ccccc1
-4984	mol	CC(C)CC=Cc1ccccc1
-4985	mol	CC(C)CC(=C)c1ccccc1
-4986	mol	CC(C)CC(C)c1ccccc1
-4987	mol	CC(C)CC#Cc1ccccc1
-4988	mol	CC(C#C)(C#C)c1ccccc1
-4989	mol	CC(CC=C)Cc1ccccc1
-4990	mol	CC(CCC=C)c1ccccc1
-4991	mol	CC(CCC#C)c1ccccc1
-4992	mol	CCC=C(CC)c1ccccc1
-4993	mol	CCC=CC#Cc1ccccc1
-4994	mol	CCC(C=C)Cc1ccccc1
-4995	mol	CCC(C(C)C)c1ccccc1
-4996	mol	CCC(C)CCc1ccccc1
-4997	mol	CCC(C)(C)Cc1ccccc1
-4998	mol	CCC(C)(CC)c1ccccc1
-4999	mol	CCC(C)C(C)c1ccccc1
-5000	mol	CCC(C)C#Cc1ccccc1
-5001	mol	CCC(CC)Cc1ccccc1
-5002	mol	CCC(CC)=Cc1ccccc1
-5003	mol	CCC#CC=Cc1ccccc1
-5004	mol	CCCC(C=C)c1ccccc1
-5005	mol	CCCC(C)Cc1ccccc1
-5006	mol	CCCC(C)(C)c1ccccc1
-5007	mol	CCCC(C#C)c1ccccc1
-5008	mol	CCCC(CC)c1ccccc1
-5009	mol	CCCCC=Cc1ccccc1
-5010	mol	CCCCC(=C)c1ccccc1
-5011	mol	CCCCC(C)c1ccccc1
-5012	mol	CCCCC#Cc1ccccc1
-5013	mol	CCCCCCC1CCCCC1
-5014	mol	C=CCCCCC1CCCCC1
-5015	mol	C=C=CCCCC1CCCCC1
-5016	mol	C=C=CC=C=CC1CCCCC1
-5017	mol	C=CC#CC=CC1CCCCC1
-5018	mol	C=CC#CC#CC1CCCCC1
-5019	mol	C#CCCCCC1CCCCC1
-5020	mol	C#CC#CCCC1CCCCC1
-5021	mol	C#CC#CC#CC1CCCCC1
-5022	mol	CC(C)CCCC1CCCCC1
-5023	mol	CC(C)C(C)CC1CCCCC1
-5024	mol	CC(C)C(C)(C)C1CCCCC1
-5025	mol	CC(C)CC=CC1CCCCC1
-5026	mol	CC(C)CC(C)C1CCCCC1
-5027	mol	CC(C)CC#CC1CCCCC1
-5028	mol	CC(CCC#C)C1CCCCC1
-5029	mol	CCC=C(CC)C1CCCCC1
-5030	mol	CCC(C(C)C)C1CCCCC1
-5031	mol	CCC(C)CCC1CCCCC1
-5032	mol	CCC(C)(CC)C1CCCCC1
-5033	mol	CCC(C)C=CC1CCCCC1
-5034	mol	CCC(C)C(C)C1CCCCC1
-5035	mol	CCC(C)C#CC1CCCCC1
-5036	mol	CCC(CC)CC1CCCCC1
-5037	mol	CCC(CC)=CC1CCCCC1
-5038	mol	CCC#CC#CC1CCCCC1
-5039	mol	CCCC(C)CC1CCCCC1
-5040	mol	CCCC(C)(C)C1CCCCC1
-5041	mol	CCCC(CC)C1CCCCC1
-5042	mol	CCCCC=CC1CCCCC1
-5043	mol	CCCCC(C)C1CCCCC1
-5044	mol	CCCCC#CC1CCCCC1
-5045	mol	CCCCCCC1CCCCC1C
-5046	mol	CCCC(CC)C1CCCCC1C
-5047	mol	CCCCCCC1CCCCC1CC
-5048	mol	CCCC(CC)C1CCCCC1CC
-5049	mol	CCCCC(C)C1CCCCC1CC
-5050	mol	CCCC(CC)c1ccccc1C(C)C
-5051	mol	CCCCCCC1CCCCC1CC(C)C
-5052	mol	CC(C)C(CCc1ccccc1)C(C)C=O
-5053	mol	CC(C)C(C)CC1CC(CCC1C)C=O
-5054	mol	CC(C)C(C)CC1CCC(CC1C)C=O
-5055	mol	CC(C)CC(C(C1CCCCC1)CC=O)C=O
-5056	mol	CCCc(ccc1CCC)cc1C=O
-5057	mol	CCC(CC(C)c1ccccc1)C=O
-5058	mol	CCCC(CCc1ccccc1)C=O
-5059	mol	CCC(C)(C(C)C1CCCCC1)C=O
-5060	mol	CCC(C)(CCC1CCCCC1)C=O
-5061	mol	CCC(CC)(CC1CCCCC1)C=O
-5062	mol	CCCCCCC1CC(CCC1)C=O
-5063	mol	CCCCC(C)C1CCCCC1C(=O)N
-5064	mol	CC(C)C(CCc1ccccc1)C(O)=O
-5065	mol	CC(C)C(C(C)C1CCCCC1)C(O)=O
-5066	mol	CCCC(C(C)C1CCCCC1)C(O)=O
-5067	mol	CCCC(CC)C1CC(CCC1)C(O)=O
-5068	mol	CCCC(CC)C1CCCCC1C(O)=O
-5069	mol	CCCCC(C)C1CC(CCC1)C(O)=O
-5070	mol	CCCC(CC)C1CCCCC1N
-5071	mol	CCC(C(C)(C)C1CCCCC1)NC=O
-5072	mol	CC(C)CC(Cc1ccccc1)NC(O)=O
-5073	mol	CCCC(CC)C1C(CCCC1N)C(O)=O
-5074	mol	CC(C)C(CCc1ccccc1)=O
-5075	mol	CCCC(CCc1ccccc1)=O
-5076	mol	CCCC(C(C)C1CCCCC1)=O
-5077	mol	CCCC(CC)C1CCCCC1O
-5078	mol	CCCCC(C)C1CCCCC1O
-5079	mol	CC(C)C(C)Cc1cc(C)ccc1C
-5080	mol	CC(C)C(C)Cc1cc(C)ccc1C=O
-5081	mol	CCCC(C)Cc1cc(C)ccc1C=O
-5082	mol	CCCCCCc1cc(C)ccc1C=O
-5083	mol	CCCCCCC1CCCCCCC1
-5084	mol	CC(C)CC(C)C1CCCCCCC1
-5085	mol	CCCC(CC)C1CCCCCCC1
-5086	mol	CCCCC(C)C1CCCCCCC1
-5087	mol	CCCCCCC1CCC(CC)CC1CC
-5088	mol	CC(C)Cc(cc1C)cc(C(C)C)c1C=O
-5089	mol	CCCCc(cc1C)cc(C(C)C)c1C=O
-5090	mol	CCCC(CC)C1C(CC)CCCC1N
-5091	mol	CC(C)CC(C)c1cc(C)cc(C=O)c1C=O
-5092	mol	CC(C)CCCc1cc(C)cc(C=O)c1C=O
-5093	mol	CCCCCCc1cc(C)cc(C=O)c1C=O
-5094	mol	C=C=CC=C=Cc1ccccn1
-5095	mol	C=CC#CC=Cc1ccccn1
-5096	mol	CCC=CC#Cc1ccccn1
-5097	mol	C=C=CC=C=CC1CCCCN1
-5098	mol	C=CC#CC=CC1CCCCN1
-5099	mol	CCCCC(C)c1ccc(C=O)cc1
-5100	mol	CC(C)CCCc1ccc(C=O)c(C)c1C=O
-5101	mol	C=C=CC=C=Cc1cccnc1
-5102	mol	C=CC#CC=Cc1cccnc1
-5103	mol	CCCCC=Cc1cccnc1
-5104	mol	C=C=CC=C=CC1CCCNC1
-5105	mol	C=CC#CC=CC1CCCNC1
-5106	mol	CCC=CC#CC1CCCNC1
-5107	mol	CCCCCCC1CCCO1
-5108	mol	C=C=CC=C=CC1CCCO1
-5109	mol	C=C=CC=C=CC1=CCCO1
-5110	mol	C=C=CC=C=CC1CC=CO1
-5111	mol	C=CC#CC=CC1CCCO1
-5112	mol	C=CC#CC=CC1CC=CO1
-5113	mol	C=CC#CC#CC1CCCO1
-5114	mol	C=CCC#CCC1CC=CO1
-5115	mol	C#CC=C(C#C)C1=CCCO1
-5116	mol	C#CC(C=C)=CC1=CCCO1
-5117	mol	C#CC#CC#CC1CCCO1
-5118	mol	C#CC#CC#CC1=CCCO1
-5119	mol	C#CC#CC#CC1CC=CO1
-5120	mol	C#CCCCCC1CC=CO1
-5121	mol	CC(C)(CC#C)C1=CCCO1
-5122	mol	CC(C)C(C)CC1CC=CO1
-5123	mol	CC(C)CC=CC1CCCO1
-5124	mol	CC(C)CC=CC1CC=CO1
-5125	mol	CC(C)CC(C)C1CC=CO1
-5126	mol	CC(C)CC(CC1C=C)=CO1
-5127	mol	CC(C)CC#CC1CCCO1
-5128	mol	CC(C)CC#CC1=CCCO1
-5129	mol	CC(C)CC#CC1CC=CO1
-5130	mol	CC(C)CCCC1CC=CO1
-5131	mol	CC(CC=C)CC1=CCCO1
-5132	mol	CCC=C(C=C)C1=CCCO1
-5133	mol	CCC=C(CC)C1CCCO1
-5134	mol	CCC=C(CC)C1CC=CO1
-5135	mol	CCC(C(C)C)C1CC=CO1
-5136	mol	CCC(C)CCC1CCCO1
-5137	mol	CCC(C)(C)CC1CC=CO1
-5138	mol	CCC(C)C=CC1CC=CO1
-5139	mol	CCC(C)C#CC1CCCO1
-5140	mol	CCC(C)CCC1=CCCO1
-5141	mol	CCC(C#C)CC1=CCCO1
-5142	mol	CCC(CC=C)C1CC=CO1
-5143	mol	CCC(CC)=CC1CCCO1
-5144	mol	CCCC=C(C)C1=CCCO1
-5145	mol	CCCC(C)CC1CCCO1
-5146	mol	CCCC(C)=CC1CCCO1
-5147	mol	CCCC(C)(C)C1CCCO1
-5148	mol	CCCC(C)CC1CC=CO1
-5149	mol	CCCCC=CC1CCCO1
-5150	mol	CCCCC=CC1CC=CO1
-5151	mol	CCCCC(=C)C1=CCCO1
-5152	mol	CCCCC(C)C1CCCO1
-5153	mol	CCCCC(C)C1CC=CO1
-5154	mol	CCCCC(CC1C=C)=CO1
-5155	mol	CCCCC#CC1CCCO1
-5156	mol	CCCCC#CC1CC=CO1
-5157	mol	CCCCC(CC1=CCCO1)=O
-5158	mol	CCCc(ccc1C(CC)=O)cc1C
-5159	mol	CCC(C)c(cc1C)c(C=O)cc1C
-5160	mol	CCCc(c(C)c1C)c(C=O)cc1CC
-5161	mol	CCCCC(C)C1CCC(O)CC1CC
-5162	mol	CCCCCCC1CCC(O)CC1CC
-5163	mol	CCC(C)c(cc1C)c(C=O)c(C(C)C)c1CC
-5164	mol	CCCCc(cc1C)c(C=O)c(C(C)C)c1CC
-5165	mol	CCCCc(cc1C)c(C=O)c(C(C)C)c1C=O
-5166	mol	CCCC(C)Cc1cc(C=O)c(CCCC(O)=O)cc1C
-5167	mol	CCCCCCc1cc(C=O)c(CCCC(O)=O)cc1C
-5168	mol	CCCc(ccc1C)c(C(O)=O)c1C=O
-5169	mol	C=C=CC=C=Cc1ccncc1
-5170	mol	C=CC#CC#Cc1ccncc1
-5171	mol	CC(C)C(C)Cc1ccncc1
-5172	mol	CC(C)C(C)(C)c1ccncc1
-5173	mol	CCCC=C=Cc1ccncc1
-5174	mol	CCCCC=Cc1ccncc1
-5175	mol	C=C=CC=C=CC1CCNCC1
-5176	mol	CCCCC=CC1CCNCC1
-5177	mol	CCCC(CC)C1CC(N)CCC1O
-5178	mol	C=C=CC=C=CC1CCOC1
-5179	mol	C=CC#CC#CC1C=COC1
-5180	mol	C=CCCCCC1C=COC1
-5181	mol	C#CC#CC#CC1CCOC1
-5182	mol	C#CC#CC#CC1C=COC1
-5183	mol	C#CCC(C#C)C1C=COC1
-5184	mol	CC(C)(C)C=CC1CCOC1
-5185	mol	CC(C)C(C)CC1CCOC1
-5186	mol	CC(C)CC=CC1CCOC1
-5187	mol	CC(C)CC=CC1C=COC1
-5188	mol	CC(C)CC(C)C1CCOC1
-5189	mol	CC(C)CC#CC1CCOC1
-5190	mol	CC(C)CC#CC1C=COC1
-5191	mol	CC(CC#C)CC1C=COC1
-5192	mol	CC(CCC#C)C1CCOC1
-5193	mol	CC(CCC#C)C1C=COC1
-5194	mol	CCC=C(CC)C1CCOC1
-5195	mol	CCC(C)C=CC1CCOC1
-5196	mol	CCC(C)C#CC1C=COC1
-5197	mol	CCC#CC#CC1C=COC1
-5198	mol	CCCC(C)CC1CCOC1
-5199	mol	CCCC(C)CC1C=COC1
-5200	mol	CCCCC=CC1CCOC1
-5201	mol	CCCCC=CC1C=COC1
-5202	mol	CCCCC(C)C1CCOC1
-5203	mol	CCCCC(C)C1C=COC1
-5204	mol	CCCCC#CC1CCOC1
-5205	mol	CCCCC#CC1C=COC1
-5206	mol	CC(C)c(ccc1C)c(O)c1O
-5207	mol	CCCc(ccc1C)c(O)c1O
-5208	mol	CC(C)CCC(C1CCOC1)=O
-5209	mol	CCCC(CCC1CCOC1)=O
-5210	mol	CC(C)CCCc1c(C=O)cccc1C
-5211	mol	CC(C)CCCc1c(C=O)cc(C)cc1C=O
-5212	mol	CC(C)CCCc1c(C=O)cc(C=O)cc1C
-5213	mol	CCCc(ccc1CC(O)=O)cc1C=O
-5214	mol	CC(C)CC(CC1Cl)=CO1
-5215	mol	CCC(C)c(cc1C)oc1C
-5216	mol	CC(C)(C)c(cc1C)oc1C=C
-5217	mol	CCC(C)c(cc1C)oc1O
-5218	mol	CCCCCCc1cocc1
-5219	mol	C=CCCCCc1cocc1
-5220	mol	C=C=CC=C=Cc1cocc1
-5221	mol	C=CC=CC#Cc1cocc1
-5222	mol	C=CC#CC=Cc1cocc1
-5223	mol	C=CC#CC#Cc1cocc1
-5224	mol	C#CCCCCc1cocc1
-5225	mol	C#CC=CC#Cc1cocc1
-5226	mol	C#CC(C#C)Cc1cocc1
-5227	mol	C#CC#CC=Cc1cocc1
-5228	mol	C#CC#CC#Cc1cocc1
-5229	mol	CC(C)CCCc1cocc1
-5230	mol	CC(C)(C)C=Cc1cocc1
-5231	mol	CC(C)(C)C(=C)c1cocc1
-5232	mol	CC(C)(C)C#Cc1cocc1
-5233	mol	CC(C)(C#C)Cc1cocc1
-5234	mol	CC(C)C=C=Cc1cocc1
-5235	mol	CC(C)C(C=C)c1cocc1
-5236	mol	CC(C)C(C)Cc1cocc1
-5237	mol	CC(C)C(C#C)c1cocc1
-5238	mol	CC(C)CC=Cc1cocc1
-5239	mol	CC(C)CC(=C)c1cocc1
-5240	mol	CC(C)CC(C)c1cocc1
-5241	mol	CC(C)CC#Cc1cocc1
-5242	mol	CC(C#C)(C=C)c1cocc1
-5243	mol	CC(C#C)(C#C)c1cocc1
-5244	mol	CC(CC=C)Cc1cocc1
-5245	mol	CC(CC#C)Cc1cocc1
-5246	mol	CC(CCC=C)c1cocc1
-5247	mol	CC(CCC#C)c1cocc1
-5248	mol	CCC=C=C(C)c1cocc1
-5249	mol	CCC(C=C)Cc1cocc1
-5250	mol	CCC(C(C)C)c1cocc1
-5251	mol	CCC(C)=C=Cc1cocc1
-5252	mol	CCC(C)(CC)c1cocc1
-5253	mol	CCC(C)C=Cc1cocc1
-5254	mol	CCC(C)C(=C)c1cocc1
-5255	mol	CCC(C)C#Cc1cocc1
-5256	mol	CCC(CC=C)c1cocc1
-5257	mol	CCC(CC)Cc1cocc1
-5258	mol	CCCC=C(C)c1cocc1
-5259	mol	CCCC(=CC)c1cocc1
-5260	mol	CCCC(C=C)c1cocc1
-5261	mol	CCCC(C)Cc1cocc1
-5262	mol	CCCC(C)=Cc1cocc1
-5263	mol	CCCC(C#C)c1cocc1
-5264	mol	CCCC(CC)c1cocc1
-5265	mol	CCCCC=Cc1cocc1
-5266	mol	CCCCC(=C)c1cocc1
-5267	mol	CCCCC(C)c1cocc1
-5268	mol	CCCCC#Cc1cocc1
-5269	mol	C=CC(C=C)=CC1=COCC1
-5270	mol	C=CC#CC=CC1=COCC1
-5271	mol	C=CC#CC#CC1=COCC1
-5272	mol	C#CC=C(C=C)C1=COCC1
-5273	mol	C#CC(C#C)=CC1=COCC1
-5274	mol	C#CC#CC#CC1=COCC1
-5275	mol	CC(C)C(C#C)C1=COCC1
-5276	mol	CC(C)CC=CC1=COCC1
-5277	mol	CCC(C)C=CC1=COCC1
-5278	mol	CCC(C)C#CC1=COCC1
-5279	mol	CCCC=C=CC1=COCC1
-5280	mol	CCCCC=CC1=COCC1
-5281	mol	CCC(C)C#Cc1cocc1Br
-5282	mol	CC(C)c(ccc1C=O)cc1C
-5283	mol	CCCc(ccc1C=O)cc1C
-5284	mol	CC(C)c(ccc1C=O)cc1CC
-5285	mol	CC(C)c(ccc1C=O)cc1C=O
-5286	mol	CCCc(ccc1C=O)cc1C=O
-5287	mol	CC(C)C(CCC1C=O)CC1C=O
-5288	mol	CC(C)c(ccc1C=O)cc1C(O)=O
-5289	mol	CCCc(ccc1C=O)cc1O
-5290	mol	CCCC#CC(c1cocc1)=O
-5291	mol	CC(C)CC(CC1C(O)=O)=CO1
-5292	mol	CCCc(ccc1F)cc1C
-5293	mol	CCCc(ccc1F)cc1C=O
-5294	mol	CC(C)c(ccc1F)cc1F
-5295	mol	CCCc(ccc1F)cc1F
-5296	mol	CC(C)c(ccc1F)cc1O
-5297	mol	CC(C)c(ccc1F)c(F)c1F
-5298	mol	CC(C)CC(CC1(F)Cl)=CO1
-5299	mol	CCCc(ccc1F)c(N)c1O
-5300	mol	CC(C)c(ccc1F)c(O)c1O
-5301	mol	CCc(cccc1N)c1CC
-5302	mol	CCc(cccc1N)c1C=O
-5303	mol	CCc(cccc1N)c1C(O)=O
-5304	mol	CCc(cccc1N)c1N
-5305	mol	CCc(cccc1N)c1O
-5306	mol	CC(C)c(ccc1N)cc1N
-5307	mol	CCCc(ccc1N)cc1N
-5308	mol	CCC(CCCC1N)CCC1OC=O
-5309	mol	CCCCc(cc1N)cc(N)c1
-5310	mol	CCCc(ccc1N)c(F)c1O
-5311	mol	CC(C)Cc(cc1N)oc1F
-5312	mol	CCc(cccc1O)c1C
-5313	mol	CC(C)Cc(cc1)oc1C
-5314	mol	CCC(C)c(cc1)oc1C
-5315	mol	CCCCc(cc1)oc1C
-5316	mol	CCc(cccc1O)c1CC
-5317	mol	CCc(cccc1O)c1C=C
-5318	mol	CCc(cccc1O)c1C#C
-5319	mol	CC(C)Cc(cc1)oc1CC
-5320	mol	CCCCc(cc1)oc1CC
-5321	mol	CCC(CCCC1O)C1CC
-5322	mol	CCC(CCCC1O)C1C=C
-5323	mol	CCc(cccc1O)c1C(C)C
-5324	mol	CCCCc(cc1)oc1CCC
-5325	mol	CC(C)Cc(cc1)oc1Cl
-5326	mol	CCc(cccc1O)c1C=O
-5327	mol	CCc(cccc1O)c1C(O)=O
-5328	mol	CCc(cccc1O)c1F
-5329	mol	CC(C)Cc(cc1)oc1F
-5330	mol	CCC(C)c(cc1)oc1F
-5331	mol	CCCCc(cc1)oc1F
-5332	mol	CCc(cccc1O)c1N
-5333	mol	CCc(cccc1O)c1O
-5334	mol	CC(C)Cc(cc1)oc1O
-5335	mol	CCCCc(cc1)oc1O
-5336	mol	CCC(C)C(CC1)OC1O
-5337	mol	CCCCC(CC1)OC1O
-5338	mol	CCc(cccc1O)c1OC#C
-5339	mol	CC(C)CC(CC1)OC1(O)C=C
-5340	mol	CC(C)Cc(cc1)oc1[SiH3]
-5341	mol	CC(C)c(ccc1O)cc1C
-5342	mol	CCCc(ccc1O)cc1C
-5343	mol	CC(C)c(ccc1O)cc1C=C
-5344	mol	CCCc(ccc1O)cc1CC
-5345	mol	CCCc(ccc1O)cc1C=C
-5346	mol	CCCc(ccc1O)cc1C=O
-5347	mol	CC(C)c(ccc1O)cc1O
-5348	mol	C=C=CC=C=Cc1occc1
-5349	mol	C#CC#CC#Cc1occc1
-5350	mol	C#CCCC#Cc1occc1
-5351	mol	CC(C)CCCc1occc1
-5352	mol	CC(C)(CC=C)c1occc1
-5353	mol	CC(C)C=C=Cc1occc1
-5354	mol	CC(C)C(C=C)c1occc1
-5355	mol	CC(C)CC=Cc1occc1
-5356	mol	CC(C)CC(=C)c1occc1
-5357	mol	CC(C)CC#Cc1occc1
-5358	mol	CC(CC#C)Cc1occc1
-5359	mol	CC(CCC=C)c1occc1
-5360	mol	CCC(C=C=C)c1occc1
-5361	mol	CCC(C)C=Cc1occc1
-5362	mol	CCC(C)C(=C)c1occc1
-5363	mol	CCC(C)C#Cc1occc1
-5364	mol	CCC(CC)=Cc1occc1
-5365	mol	CCCC=C=Cc1occc1
-5366	mol	CCCC(C=C)c1occc1
-5367	mol	CCCC(C)=Cc1occc1
-5368	mol	CCCC(CC)c1occc1
-5369	mol	CCCCC=Cc1occc1
-5370	mol	CCCCC(=C)c1occc1
-5371	mol	CCCCC(C)c1occc1
-5372	mol	CCCCC#Cc1occc1
-5373	mol	CC(C)c(ccc1O)c(C)c1O
-5374	mol	CCCc(ccc1O)c(C)c1O
-5375	mol	CCCC(CCC1O)C(C)C1O
-5376	mol	CC(C)Cc(cc1O)cc(C)c1
-5377	mol	CCC(C)c(cc1O)cc(C)c1
-5378	mol	CCCCc(cc1O)cc(C)c1
-5379	mol	CCCCc(cc1O)cc(N)c1
-5380	mol	CC(C)CC(CC1O)CC(N)C1
-5381	mol	CCC(C)C(CC1O)CC(N)C1
-5382	mol	CCC(C)C(CC1O)CC(O)C1
-5383	mol	CCCCC(CC1O)CC(O)C1
-5384	mol	CC(C)c(ccc1O)c(F)c1O
-5385	mol	CC(C)CC(CC1O)=CO1
-5386	mol	CC(C)c(ccc1O)c(O)c1C
-5387	mol	CCCc(ccc1O)c(O)c1C
-5388	mol	CC(C)c(ccc1O)c(O)c1O
-5389	mol	CCCc(ccc1O)c(O)c1O
-5390	mol	CCC(CCCC1OC=O)CCC1N
-5391	mol	CC(C)CC(CC1OC=O)=CO1
-5392	mol	CCC(CCCC1OC(=O)N)CCC1N
-5393	mol	CCC(C)c(cc1O)oc1C
-5394	mol	CCCCc(cc1O)oc1C
-5395	mol	CC(C)Cc(cc1O)oc1CC
-5396	mol	CCCCc(cc1O)oc1CC
-5397	mol	CCC(C)C(CC1O)OC1[SiH3]
-5398	mol	CC(C)c(ccc2C1CCCCC1)cc2C=O
-5399	mol	CC(C(C)(CC(c2ccccc2)c1ccccc1)C(O)=O)C=O
-5400	mol	CC(C)C(CCC3C1CCCCC1)CC3c2ccccc2
-5401	mol	CCCCCCCBr
-5402	mol	CC(C)CC=C=CBr
-5403	mol	CCC(C)CCCBr
-5404	mol	CCC(C)CC(C)Br
-5405	mol	CCCCC=C=CBr
-5406	mol	CCCCCC(C)Br
-5407	mol	CC(C)CC(C)(CBr)C(Br)C#C
-5408	mol	CC(C)(C)C(=C(C)Br)C=C=C
-5409	mol	CC(C)CCCC(Br)C=C=C
-5410	mol	CCCCC=C=C(Br)C=C=C
-5411	mol	CCC(C)CCC(Br)(CC)CC
-5412	mol	CCCCC(C)C(Br)CCl
-5413	mol	CCC(C)CCC(Br)CN
-5414	mol	CCCCCCCC
-5415	mol	C=C=CC=C=CC=C
-5416	mol	C=C=CC=CC=C=C
-5417	mol	C=C=CC(=C=C)C=C
-5418	mol	C=C=CC(=C)C=C=C
-5419	mol	C=C=CC(C#C)=C=C
-5420	mol	C=C=CC#CC=C=C
-5421	mol	C=CC=C(C#C)C=C
-5422	mol	C=CC=C(C#C)C#C
-5423	mol	C=CC=CC=CC=C
-5424	mol	C=CC#CC=CC=C
-5425	mol	C=CC#CC#CC=C
-5426	mol	C=CCC(C=C)C=C
-5427	mol	C=CCCCC=C=C
-5428	mol	C=CCCCCC=C
-5429	mol	C#CC=C=CC=C=C
-5430	mol	C#CC=C(C#C)C=C
-5431	mol	C#CC=C(C#C)C#C
-5432	mol	C#CC=CC=CC=C
-5433	mol	C#CC=CC#CC=C
-5434	mol	C#CC(CC=C)C#C
-5435	mol	C#CC#CC=CC#C
-5436	mol	C#CC#CC(=C)C#C
-5437	mol	C#CC#CC#CC=C
-5438	mol	C#CC#CC#CC#C
-5439	mol	C#CCC(C#C)C=C
-5440	mol	C#CCC(C#C)C#C
-5441	mol	C#CCCC#CC#C
-5442	mol	C#CCCCC=C=C
-5443	mol	C#CCCCCC=C
-5444	mol	C#CCCCCC#C
-5445	mol	CC(C=C=C)C=C=C
-5446	mol	CC(C=C)=C(C)C=C
-5447	mol	CC(C=C)C#CC=C
-5448	mol	CC(C=C)CC=C=C
-5449	mol	CC(C(C)C#C)C#C
-5450	mol	CC(C)=C(C#C)C=C
-5451	mol	CC(C)=C(C#C)C#C
-5452	mol	CC(C)(C=C)C=C=C
-5453	mol	CC(C)(C)C=CC=C
-5454	mol	CC(C)(C)C(=C)C=C
-5455	mol	CC(C)(C)C(C)C#C
-5456	mol	CC(C)(C)C#CC#C
-5457	mol	CC(C)(CC=C)C=C
-5458	mol	CC(C)(CC#C)C#C
-5459	mol	CC(C)C=C=CC=C
-5460	mol	CC(C)C=CC=CC
-5461	mol	CC(C)C=CC=C=C
-5462	mol	CC(C)C(=C)C=C=C
-5463	mol	CC(C)C(C=C)C=C
-5464	mol	CC(C)C(C)=C=CC
-5465	mol	CC(C)C(C)=CC=C
-5466	mol	CC(C)C(C)=CC#C
-5467	mol	CC(C)C(C)(C)C=C
-5468	mol	CC(C)C(C)(C)C#C
-5469	mol	CC(C)C(C)C(C)C
-5470	mol	CC(C)C(C)CC#C
-5471	mol	CC(C)C(C#C)C=C
-5472	mol	CC(C)C(C#C)C#C
-5473	mol	CC(C)CC=CCC
-5474	mol	CC(C)CC=C=CC
-5475	mol	CC(C)CC=CC=C
-5476	mol	CC(C)CC=CC#C
-5477	mol	CC(C)CC(=C)C=C
-5478	mol	CC(C)CC(=C)C#C
-5479	mol	CC(C)CC(C)=CC
-5480	mol	CC(C)CC(C)(C)C
-5481	mol	CC(C)CC(C)C=C
-5482	mol	CC(C)CC(C)C#C
-5483	mol	CC(C)CC(CC)=C
-5484	mol	CC(C)CC#CCC
-5485	mol	CC(C)CC#CC=C
-5486	mol	CC(C)CC#CC#C
-5487	mol	CC(C)CCC(C)C
-5488	mol	CC(C)CCCC#C
-5489	mol	CC(C#C)=C=CC=C
-5490	mol	CC(C#C)=C(C)C#C
-5491	mol	CC(C#C)(C#C)C=C
-5492	mol	CC(C#C)(C#C)C#C
-5493	mol	CC(C#C)C#CC#C
-5494	mol	CC(CC=C)CC=C
-5495	mol	CC(CC#C)CC=C
-5496	mol	CC(CC#C)CC#C
-5497	mol	CC(CCC=C)C=C
-5498	mol	CC(CCC=C)C#C
-5499	mol	CC(CCC#C)C=C
-5500	mol	CC(CCC#C)C#C
-5501	mol	CCC=C=CC=C=C
-5502	mol	CCC=C=CC(C)C
-5503	mol	CCC=C(C#C)C=C
-5504	mol	CCC=C(C#C)C#C
-5505	mol	CCC=C(CC)CC
-5506	mol	CCC=C(CC)C#C
-5507	mol	CCC=CC#CC=C
-5508	mol	CCC=CC#CC#C
-5509	mol	CCC(=C=C)C=C=C
-5510	mol	CCC(=CC)C=C=C
-5511	mol	CCC(C=C)=CC#C
-5512	mol	CCC(C=C)C=C=C
-5513	mol	CCC(C(C)C)=CC
-5514	mol	CCC(C(C)C)=C=C
-5515	mol	CCC(C(C)C)C=C
-5516	mol	CCC(C(C)C)C#C
-5517	mol	CCC(C)=C=CC=C
-5518	mol	CCC(C)=C(C)CC
-5519	mol	CCC(C)=C(C)C=C
-5520	mol	CCC(C)(C)C=C=C
-5521	mol	CCC(C)(C)C(C)C
-5522	mol	CCC(C)(C)CC=C
-5523	mol	CCC(C)(C)CC#C
-5524	mol	CCC(C)(C#C)C=C
-5525	mol	CCC(C)(C#C)C#C
-5526	mol	CCC(C)(CC)CC
-5527	mol	CCC(C)(CC)C=C
-5528	mol	CCC(C)(CC)C#C
-5529	mol	CCC(C)C=CCC
-5530	mol	CCC(C)C=CC=C
-5531	mol	CCC(C)C=CC#C
-5532	mol	CCC(C)C(=C)C=C
-5533	mol	CCC(C)C(=C)C#C
-5534	mol	CCC(C)C(C)CC
-5535	mol	CCC(C)C(C)=CC
-5536	mol	CCC(C)C(C)(C)C
-5537	mol	CCC(C)C(C)C=C
-5538	mol	CCC(C)C(C)C#C
-5539	mol	CCC(C)C(CC)=C
-5540	mol	CCC(C)C#CCC
-5541	mol	CCC(C)C#CC=C
-5542	mol	CCC(C)C#CC#C
-5543	mol	CCC(C)CC=C=C
-5544	mol	CCC(C)CC(C)C
-5545	mol	CCC(C)CCC=C
-5546	mol	CCC(C)CCC#C
-5547	mol	CCC(C#C)=CC=C
-5548	mol	CCC(C#C)=CC#C
-5549	mol	CCC(CC=C)C=C
-5550	mol	CCC(CC=C)C#C
-5551	mol	CCC(CC)=CC=C
-5552	mol	CCC(CC)C(C)C
-5553	mol	CCC(CC)CC#C
-5554	mol	CCC(CC#C)C=C
-5555	mol	CCC(CC#C)C#C
-5556	mol	CCC#CC=CC#C
-5557	mol	CCC#CC(=C)C#C
-5558	mol	CCC#CC(C)C#C
-5559	mol	CCC#CC#CC=C
-5560	mol	CCC#CC#CC#C
-5561	mol	CCCC=CCCC
-5562	mol	CCCC=C=CCC
-5563	mol	CCCC=C=CC=C
-5564	mol	CCCC=C(C)C=C
-5565	mol	CCCC=C(C)C#C
-5566	mol	CCCC=CC=C=C
-5567	mol	CCCC=CC(C)C
-5568	mol	CCCC(=C=C)C=C
-5569	mol	CCCC(=C)C=C=C
-5570	mol	CCCC(=CC)C=C
-5571	mol	CCCC(=CC)C#C
-5572	mol	CCCC(C=C)C=C
-5573	mol	CCCC(C(C)C)=C
-5574	mol	CCCC(C)CCC
-5575	mol	CCCC(C)=CCC
-5576	mol	CCCC(C)=CC=C
-5577	mol	CCCC(C)=CC#C
-5578	mol	CCCC(C)(C)CC
-5579	mol	CCCC(C)(C)C=C
-5580	mol	CCCC(C)(C)C#C
-5581	mol	CCCC(C)C(C)C
-5582	mol	CCCC(C)CC=C
-5583	mol	CCCC(C)CC#C
-5584	mol	CCCC(C#C)C=C
-5585	mol	CCCC(C#C)C#C
-5586	mol	CCCC(CC)CC
-5587	mol	CCCC(CC)=CC
-5588	mol	CCCC(CC)C=C
-5589	mol	CCCC(CC)C#C
-5590	mol	CCCC(CCC)=C
-5591	mol	CCCC#CCCC
-5592	mol	CCCC#CC(C)C
-5593	mol	CCCCC=CCC
-5594	mol	CCCCC=C=CC
-5595	mol	CCCCC=C(C)C
-5596	mol	CCCCC=CC=C
-5597	mol	CCCCC=CC#C
-5598	mol	CCCCC(=C)C=C
-5599	mol	CCCCC(=C)C#C
-5600	mol	CCCCC(C)CC
-5601	mol	CCCCC(C)=CC
-5602	mol	CCCCC(C)(C)C
-5603	mol	CCCCC(C)C=C
-5604	mol	CCCCC(C)C#C
-5605	mol	CCCCC(CC)=C
-5606	mol	CCCCC#CCC
-5607	mol	CCCCC#CC=C
-5608	mol	CCCCC#CC#C
-5609	mol	CCCCCC(C)C
-5610	mol	CCCCCCC=C
-5611	mol	CCCCCCC#C
-5612	mol	CC(C)CC(CCC1)CC1Br
-5613	mol	CCc(c(C)ccc1C)c1C
-5614	mol	CCCc(cccc1C)c1C
-5615	mol	CC(C)Cc(ccc1)cc1C
-5616	mol	CCC(C)c(ccc1)cc1C
-5617	mol	CCCCc(ccc1)cc1C
-5618	mol	CC(C)CC(CCC1)CC1C
-5619	mol	CCC(CCCCC1)CC1C
-5620	mol	CCCCC(CCC1)CC1C
-5621	mol	CCc(cc(C)cc1C)c1CC
-5622	mol	CCCc(cccc1C)c1CC
-5623	mol	CC(C)Cc(ccc1)cc1CC
-5624	mol	CCC(C)c(ccc1)cc1CC
-5625	mol	CCCCc(ccc1)cc1CC
-5626	mol	CCCCC(CCC1)CC1CC
-5627	mol	CCCCc(ccc1)cc1CCC
-5628	mol	CCCCC(CCC1)CC1CCC
-5629	mol	CC(C)Cc(ccc1)cc1Cl
-5630	mol	CC(C)CC(CCC1)CC1Cl
-5631	mol	CCc(cc(C)cc1C)c1C=O
-5632	mol	CC(C)c(cccc1C)c1C=O
-5633	mol	CCCc(cccc1C)c1C=O
-5634	mol	CCCCc(ccc1)cc1CO
-5635	mol	CCC(CC(C)CC1C)C1C=O
-5636	mol	CC(C)Cc(ccc1)cc1F
-5637	mol	CCC(C)c(ccc1)cc1F
-5638	mol	CCCCc(ccc1)cc1F
-5639	mol	CC(C)Cc(ccc1)cc1N
-5640	mol	CCC(C)c(ccc1)cc1N
-5641	mol	CCCCc(ccc1)cc1N
-5642	mol	CC(C)CC(CCC1)CC1N
-5643	mol	CCCCC(CCC1)CC1N
-5644	mol	CCCCC(CCC1)CC1NC
-5645	mol	CCc(c(C)ccc1C)c1O
-5646	mol	CC(C)c(cccc1C)c1O
-5647	mol	CCCc(cccc1C)c1O
-5648	mol	C=CCCc(ccc1)cc1O
-5649	mol	C#CCCc(ccc1)cc1O
-5650	mol	CC=C(C)c(ccc1)cc1O
-5651	mol	CC(C=C)c(ccc1)cc1O
-5652	mol	CC(C)(C)c(ccc1)cc1O
-5653	mol	CC(C)Cc(ccc1)cc1O
-5654	mol	CC(C#C)c(ccc1)cc1O
-5655	mol	CCC=Cc(ccc1)cc1O
-5656	mol	CCC(C)c(ccc1)cc1O
-5657	mol	CCCCc(ccc1)cc1O
-5658	mol	CC(C)CC(CCC1)CC1O
-5659	mol	CCC(C)C(CCC1)CC1O
-5660	mol	CCC(CCCCC1)CC1O
-5661	mol	CCCCC(CCC1)CC1O
-5662	mol	CCCCC(CCC1)CC1OC
-5663	mol	CCCCC(CCC1)CC1ON
-5664	mol	CC(C)Cc(ccc1)cc1[SiH3]
-5665	mol	CCC(C)c(ccc1)cc1[SiH3]
-5666	mol	CCCCCCCC1CC(Br)CCC1
-5667	mol	CCCCCCCC1CC(Br)CCC1C
-5668	mol	CCC(CC)C(CC1)CCC1Br
-5669	mol	CCCc(cccc1CC)c1C
-5670	mol	CCCCc(ccc1C)cc1C
-5671	mol	CCC(CC)C(CC1)CCC1C
-5672	mol	CCCC(C)C(CC1)CCC1C
-5673	mol	CCCC(CCCC1CC)C1CC
-5674	mol	CCC(CC)C(CC1)CCC1CC(C)C
-5675	mol	CCCC(C)C(CC1)CCC1CC(C)C
-5676	mol	CCCCCC(CC1)CCC1CCCC
-5677	mol	CCC(CC)C(CC1)CCC1C(N)C
-5678	mol	CCCc(cccc1CC)c1C=O
-5679	mol	CCC(CC)C(CC1)CCC1F
-5680	mol	CCCC(C)C(CC1)CCC1F
-5681	mol	CCCC(C)C(CC1)CCC1N
-5682	mol	CCCCCC(CC1)CCC1N
-5683	mol	CCCc(cccc1CC)c1O
-5684	mol	CC(C)Cc(ccc1C)cc1O
-5685	mol	CCC(C)c(ccc1C)cc1O
-5686	mol	CCCCc(ccc1C)cc1O
-5687	mol	CC(C)=C(C)c(cc1)ccc1O
-5688	mol	CC(C)(C=C)c(cc1)ccc1O
-5689	mol	CC(C)C(=C)c(cc1)ccc1O
-5690	mol	CCC(C)=Cc(cc1)ccc1O
-5691	mol	CCC(C)Cc(cc1)ccc1O
-5692	mol	CCC(CC)c(cc1)ccc1O
-5693	mol	CCCC=Cc(cc1)ccc1O
-5694	mol	CCCC(=C)c(cc1)ccc1O
-5695	mol	CCCC(C)c(cc1)ccc1O
-5696	mol	CCCC#Cc(cc1)ccc1O
-5697	mol	CCCCCc(cc1)ccc1O
-5698	mol	CCCCCC(CC1)CCC1O
-5699	mol	CCCCCCCC1CCC(Br)CC1
-5700	mol	CCC(C)c(ccc1C)c(C)c1C
-5701	mol	CCCCCCCc1ccccc1
-5702	mol	CC(C)C(C(C)C)c1ccccc1
-5703	mol	CC(C)CC(C)Cc1ccccc1
-5704	mol	CC(C)CC(C)(C)c1ccccc1
-5705	mol	CC(C)CCC(C)c1ccccc1
-5706	mol	CCC(C)C(CC)c1ccccc1
-5707	mol	CCC(C)CC(C)c1ccccc1
-5708	mol	CCC(CC)(CC)c1ccccc1
-5709	mol	CCC(CC)C(C)c1ccccc1
-5710	mol	CCCC(C(C)C)c1ccccc1
-5711	mol	CCCC(C)CCc1ccccc1
-5712	mol	CCCC(CCC)c1ccccc1
-5713	mol	CCCCC(CC)c1ccccc1
-5714	mol	CCCCCC(C)c1ccccc1
-5715	mol	CCCCCCCC1CCCCC1
-5716	mol	CC(C)CCCCC1CCCCC1
-5717	mol	CC(C)C(C(C)C)C1CCCCC1
-5718	mol	CC(C)C(C)(C)CC1CCCCC1
-5719	mol	CC(C)CC(C)CC1CCCCC1
-5720	mol	CC(C)CC(CC)C1CCCCC1
-5721	mol	CC(C)CCC(C)C1CCCCC1
-5722	mol	CCC(C)(C(C)C)C1CCCCC1
-5723	mol	CCC(C)C(CC)C1CCCCC1
-5724	mol	CCC(C)CC(C)C1CCCCC1
-5725	mol	CCC(CC)CCC1CCCCC1
-5726	mol	CCCC(C)CCC1CCCCC1
-5727	mol	CCCC(C)(CC)C1CCCCC1
-5728	mol	CCCC(CC)CC1CCCCC1
-5729	mol	CCCC(CCC)C1CCCCC1
-5730	mol	CCCCC(C)CC1CCCCC1
-5731	mol	CCCCC(CC)C1CCCCC1
-5732	mol	CCCCCC(C)C1CCCCC1
-5733	mol	CCCCCCCC1CCCCC1Br
-5734	mol	CCCCCCCC1CCCCC1C
-5735	mol	CCCCCCCC1CCCCC1CC
-5736	mol	CCCCCC(C)C1CCCCC1CC
-5737	mol	CCCCCCCC1CCCCC1Cl
-5738	mol	CCC(C(C)C(C)c1ccccc1)C=O
-5739	mol	CCC(C(C)CCc1ccccc1)C=O
-5740	mol	CCC(C)C(CCc1ccccc1)C=O
-5741	mol	CC(C)CCC(CC1CCCCC1)C=O
-5742	mol	CCCC(C(C)C)(C1CCCCC1)C=O
-5743	mol	CCCC(CC(C)C1CCCCC1)C=O
-5744	mol	CCCCCC(Cc1ccccc1)C(O)=O
-5745	mol	CCCC(C)CC(C1CCCCC1)C(O)=O
-5746	mol	CCCCC(CC)(C1CCCCC1)C(O)=O
-5747	mol	CCCCCCCC1CCCCC1F
-5748	mol	CCCCCCCC1CCCCC1N
-5749	mol	CCCCCC(C)C1CCCCC1N
-5750	mol	CCCCCCCC1CCCCC1O
-5751	mol	CCC(C(C)C)C(C1CCCCC1)=O
-5752	mol	CCC(C)(CC)C(C1CCCCC1)=O
-5753	mol	CCC(C)C(CC)C1CCCCC1OC
-5754	mol	CCCCC(CCC1C(C)CC)CC1C(C)CC
-5755	mol	CCCCCCCC1CCCCCCC1
-5756	mol	CC(C)CC(C)CC1CCCCCCC1
-5757	mol	CC(C)CC(CC)C1CCCCCCC1
-5758	mol	CCCC(C(C)C)C1CCCCCCC1
-5759	mol	CCCC(C)CCC1CCCCCCC1
-5760	mol	CCCC(CCC)C1CCCCCCC1
-5761	mol	CCCCC(CC)C1CCCCCCC1
-5762	mol	CCCCCC(C)C1CCCCCCC1
-5763	mol	CCCCCCCC1CCCCCCC1C
-5764	mol	CCCCCC(C)C1CC(CC)CCC1N
-5765	mol	CC(C)C(CCCc1cc(C)cc(C(C)C)c1C=O)=O
-5766	mol	CCCC(CCCc1cc(C)cc(C(C)C)c1C=O)=O
-5767	mol	CC(C)c(cccc1CCCC=O)c1C=O
-5768	mol	CCCCCCCC1CCCO1
-5769	mol	C#CC#CCCCC1CC=CO1
-5770	mol	CC(C(C#C)C#C)C1=CCCO1
-5771	mol	CC(C)C=C(C#C)C1=CCCO1
-5772	mol	CC(C)C(C(C)C)C1CCCO1
-5773	mol	CC(C)C(C(C)C)C1CC=CO1
-5774	mol	CC(C)CC=C=CC1CCCO1
-5775	mol	CC(C)CC=C=CC1CC=CO1
-5776	mol	CC(C)CC(C)CC1CCCO1
-5777	mol	CC(C)CC(C)(C)C1CCCO1
-5778	mol	CC(C)CC(C)(C)C1CC=CO1
-5779	mol	CC(C)CC(C)CC1CC=CO1
-5780	mol	CC(C)CC(CC)C1CC=CO1
-5781	mol	CC(C)CCCCC1CC=CO1
-5782	mol	CC(C#C)=CC=CC1CC=CO1
-5783	mol	CC(C#C)(C#C)CC1=CCCO1
-5784	mol	CC(C#C)C(C)(C)C1=CCCO1
-5785	mol	CC(C#C)C(C#C)C1=CCCO1
-5786	mol	CCC(C)CCCC1CCCO1
-5787	mol	CCC(CC)(CC)C1CCCO1
-5788	mol	CCCC(C)CCC1CCCO1
-5789	mol	CCCCC(C)CC1CCCO1
-5790	mol	CCCc(c(CC)c1C)c(C=O)cc1C
-5791	mol	CCC(C)c(c(C)c1C)c(C=O)cc1C
-5792	mol	CCCCc(c(C)c1C)c(C=O)cc1C
-5793	mol	C=CC(C=C)=C=CC1CCOC1
-5794	mol	C=CC(C=C)=C=CC1C=COC1
-5795	mol	CC(C)CCCCC1CCOC1
-5796	mol	CC(C)C(C)(C)CC1CCOC1
-5797	mol	CC(C)CC(C)(C)C1C=COC1
-5798	mol	CC(C)CC(CC)C1C=COC1
-5799	mol	CC(CC#C)(C#C)C1C=COC1
-5800	mol	CC(CC#C)C(C)C1C=COC1
-5801	mol	CCC=C=C(CC)C1C=COC1
-5802	mol	CCCC(C(C)C)C1CCOC1
-5803	mol	CCCC(CC=C)C1C=COC1
-5804	mol	CCCCC(C)CC1CCOC1
-5805	mol	CCCCCC(C)C1CCOC1
-5806	mol	CCCCc(ccc1C)c(O)c1CCC
-5807	mol	CCCCC(CCC1C(C)=O)CC1C
-5808	mol	CC(C)Cc(ccc1Cl)cc1Cl
-5809	mol	CCC(C(CCCC1C=O)C1C=O)=O
-5810	mol	CCCCCCCc1cocc1
-5811	mol	C=CCC(C=C)Cc1cocc1
-5812	mol	CC(=C)C#CC#Cc1cocc1
-5813	mol	CC(C=C)C(C#C)c1cocc1
-5814	mol	CC(C)CCCCc1cocc1
-5815	mol	CC(C)(C)C=C=Cc1cocc1
-5816	mol	CC(C)C(C=C=C)c1cocc1
-5817	mol	CC(C)C(C(C)C)c1cocc1
-5818	mol	CC(C)C(CC#C)c1cocc1
-5819	mol	CC(C)CC=C=Cc1cocc1
-5820	mol	CC(C)CC=C(C)c1cocc1
-5821	mol	CC(C)CC(=CC)c1cocc1
-5822	mol	CC(C)CC(C)Cc1cocc1
-5823	mol	CC(C)CC(C#C)c1cocc1
-5824	mol	CC(C)CC(CC)c1cocc1
-5825	mol	CC(C)CCC(C)c1cocc1
-5826	mol	CC(C#C)C(C#C)c1cocc1
-5827	mol	CCC=C(C(C)C)c1cocc1
-5828	mol	CCC(C(C)C)Cc1cocc1
-5829	mol	CCC(C(C)C)=Cc1cocc1
-5830	mol	CCC(C)=C(CC)c1cocc1
-5831	mol	CCC(C)CC(C)c1cocc1
-5832	mol	CCC(CC)=C(C)c1cocc1
-5833	mol	CCCC=C(CC)c1cocc1
-5834	mol	CCCC(C(C)C)c1cocc1
-5835	mol	CCCC(C)CCc1cocc1
-5836	mol	CCCC(C)(CC)c1cocc1
-5837	mol	CCCC(C)C(C)c1cocc1
-5838	mol	CCCC(C#C)Cc1cocc1
-5839	mol	CCCC(CC)=Cc1cocc1
-5840	mol	CCCC(CCC)c1cocc1
-5841	mol	CCCC#CC#Cc1cocc1
-5842	mol	CCCCC=C=Cc1cocc1
-5843	mol	CCCCC=C(C)c1cocc1
-5844	mol	CCCCC(C)=Cc1cocc1
-5845	mol	CCCCC(C)(C)c1cocc1
-5846	mol	CCCCC(CC)c1cocc1
-5847	mol	CCCCCC(C)c1cocc1
-5848	mol	CC(C#C)=C(C#C)C1=COCC1
-5849	mol	CC(CC#C)(C#C)C1=COCC1
-5850	mol	CCCCC(C=C)C1=COCC1
-5851	mol	CC(C)Cc(ccc1C=O)cc1C
-5852	mol	CCC(C)c(ccc1C=O)cc1C
-5853	mol	CCCCc(ccc1C=O)cc1C
-5854	mol	CCCCc(ccc1C=O)cc1CCC
-5855	mol	CCCCc(ccc1C=O)cc1CC(C)C(C)C
-5856	mol	CCCCc(ccc1C=O)cc1C=O
-5857	mol	CCC(C)C(CCC1C(O)=O)CC1C
-5858	mol	CCCCc(ccc1C(O)=O)cc1CC
-5859	mol	CC(C)c(cccc1F)c1C
-5860	mol	CC(C)c(cccc1F)c1F
-5861	mol	CCCc(cccc1F)c1F
-5862	mol	CCc(c(C)ccc1F)c1N
-5863	mol	CC(C)Cc(ccc1F)cc1Cl
-5864	mol	CC(C)Cc(ccc1F)cc1F
-5865	mol	CCCCc(ccc1F)cc1F
-5866	mol	CC(C)c(cccc1N)c1C
-5867	mol	CC(C)C(CCCC1N)C1C(=O)N
-5868	mol	CC(C)Cc(ccc1N)cc1C
-5869	mol	CCCCc(ccc1N)cc1C
-5870	mol	CC(C)Cc(ccc1N)cc1N
-5871	mol	CCCCc(ccc1N)cc1N
-5872	mol	C=CCc(cccc1O)c1C
-5873	mol	CC(C)c(cccc1O)c1C
-5874	mol	CCCc(cccc1O)c1C
-5875	mol	CCc(cc(C)cc1O)c1CC
-5876	mol	CCc(cc(C)cc1O)c1C=C
-5877	mol	CC(C)c(cccc1O)c1C=C
-5878	mol	CCCc(cccc1O)c1CC
-5879	mol	CCCc(cccc1O)c1C=C
-5880	mol	CC(C)C(CCCC1O)C1C=C
-5881	mol	CCCC(CCCC1O)C1C=C
-5882	mol	CC(C)c(cccc1O)c1C=O
-5883	mol	CCCc(cccc1O)c1C=O
-5884	mol	CC(C)c(cccc1O)c1F
-5885	mol	CCCc(cccc1O)c1N
-5886	mol	CCc(cc(C)cc1O)c1O
-5887	mol	CCc(c(C)ccc1O)c1O
-5888	mol	CC(C)c(cccc1O)c1O
-5889	mol	CCCc(cccc1O)c1O
-5890	mol	CCCC(CCCC1O)C1O
-5891	mol	CC(C)Cc(ccc1O)cc1C
-5892	mol	CCC(C)c(ccc1O)cc1C
-5893	mol	CCCCc(ccc1O)cc1C
-5894	mol	CC(C)Cc(ccc1O)cc1N
-5895	mol	CCC(C)c(ccc1O)cc1O
-5896	mol	CCCCc(ccc1O)cc1O
-5897	mol	CC(C)Cc(ccc1O)cc1[SiH3]
-5898	mol	CC(C(C)C=C)Cc1occc1
-5899	mol	CC(C)(C)C(C=C)c1occc1
-5900	mol	CC(C)CC=C=Cc1occc1
-5901	mol	CC(C)CC(C=C)c1occc1
-5902	mol	CC(C)CC(C)Cc1occc1
-5903	mol	CC(C)CC(C)=Cc1occc1
-5904	mol	CC(C#C)C(C#C)c1occc1
-5905	mol	CCC(C(C)(C)C)c1occc1
-5906	mol	CCC(C(C)C#C)c1occc1
-5907	mol	CCCC(CC)Cc1occc1
-5908	mol	CCCC(CCC)c1occc1
-5909	mol	CCCC#CC#Cc1occc1
-5910	mol	CCCCC=C=Cc1occc1
-5911	mol	CCCCC(C)Cc1occc1
-5912	mol	CCCCC(C)(C)c1occc1
-5913	mol	CCCCCC(C)c1occc1
-5914	mol	CCC(CC)C(CC1O)CC(N)C1
-5915	mol	CCCCCCCCBr
-5916	mol	CC(C)C(C=C)C=CBr
-5917	mol	CC(C)CC#CC=CBr
-5918	mol	CCC(C)C(C)C(C)Br
-5919	mol	CCCCC(C)C(C)Br
-5920	mol	CCCCC(CC)(C(Br)CCCC)C=O
-5921	mol	CCCCCCCCC
-5922	mol	C=C=CC=C=CC=C=C
-5923	mol	C=C=CC=C(C#C)C#C
-5924	mol	C=C=CC(=C=C)C=C=C
-5925	mol	C=C=CCCCC=C=C
-5926	mol	C=CC=C=C(C=C)C=C
-5927	mol	C=CC#CC=CC=C=C
-5928	mol	C=CCC=CC=CC=C
-5929	mol	C=CCC=CC(=C)C=C
-5930	mol	C#CC(C=C)C#CC=C
-5931	mol	C#CC(CCC=C)C#C
-5932	mol	C#CC#CCC#CC#C
-5933	mol	C#CCC(CC#C)C#C
-5934	mol	C#CCCC(C#C)C=C
-5935	mol	C#CCCC(C#C)C#C
-5936	mol	CC=C(C=C=C)C=C=C
-5937	mol	CC(C=C=C)=CC=C=C
-5938	mol	CC(C=C)C=C(C)C#C
-5939	mol	CC(C(C#C)C#C)C#C
-5940	mol	CC(C)(C=C=C)C=C=C
-5941	mol	CC(C)(C=C)C=CC=C
-5942	mol	CC(C)(C=C)C=CC#C
-5943	mol	CC(C)(C=C)C(=C)C=C
-5944	mol	CC(C)(C)C=CC=C=C
-5945	mol	CC(C)(C)C(=C)C=C=C
-5946	mol	CC(C)(C)C(C=C)C=C
-5947	mol	CC(C)(C)C(C)CC#C
-5948	mol	CC(C)(C)C#CC=C=C
-5949	mol	CC(C)(C)C#CC#CC
-5950	mol	CC(C)(C#C)C#CC#C
-5951	mol	CC(C)C=C(C=C)C=C
-5952	mol	CC(C)C=C(C#C)C=C
-5953	mol	CC(C)C=C(C#C)C#C
-5954	mol	CC(C)C(=C(C)C)C=C
-5955	mol	CC(C)C(C=C)=CC=C
-5956	mol	CC(C)C(C=C)C=C=C
-5957	mol	CC(C)C(C(C)C)=C=C
-5958	mol	CC(C)C(C(C)C)C=C
-5959	mol	CC(C)C(C(C)C)C#C
-5960	mol	CC(C)C(C)(C=C)C=C
-5961	mol	CC(C)C(C)(C)C(C)C
-5962	mol	CC(C)C(C)(C#C)C=C
-5963	mol	CC(C)C(C)(C#C)C#C
-5964	mol	CC(C)C(C)C(C)C#C
-5965	mol	CC(C)C(C#C)=CC#C
-5966	mol	CC(C)C(C#C)C#CC
-5967	mol	CC(C)C(CC=C)C#C
-5968	mol	CC(C)C(CC#C)C#C
-5969	mol	CC(C)C#CC(C)(C)C
-5970	mol	CC(C)C#CC#CC#C
-5971	mol	CC(C)CC=C=CCC
-5972	mol	CC(C)CC=C=CC=C
-5973	mol	CC(C)CC=C(C)CC
-5974	mol	CC(C)CC=C(C)C=C
-5975	mol	CC(C)CC=C(C)C#C
-5976	mol	CC(C)CC=CC=C=C
-5977	mol	CC(C)CC=CC(C)C
-5978	mol	CC(C)CC(=C=C)C=C
-5979	mol	CC(C)CC(=C)C=CC
-5980	mol	CC(C)CC(=C)C=C=C
-5981	mol	CC(C)CC(=CC)C=C
-5982	mol	CC(C)CC(C=C)C=C
-5983	mol	CC(C)CC(C(C)C)=C
-5984	mol	CC(C)CC(C)=CCC
-5985	mol	CC(C)CC(C)=CC=C
-5986	mol	CC(C)CC(C)(C)C=C
-5987	mol	CC(C)CC(C)(C)C#C
-5988	mol	CC(C)CC(C)C(C)C
-5989	mol	CC(C)CC(C)CC=C
-5990	mol	CC(C)CC(C)CC#C
-5991	mol	CC(C)CC(C#C)=C=C
-5992	mol	CC(C)CC(C#C)C=C
-5993	mol	CC(C)CC(C#C)C#C
-5994	mol	CC(C)CC(CC)=CC
-5995	mol	CC(C)CC(CC)C=C
-5996	mol	CC(C)CC(CC)C#C
-5997	mol	CC(C)CC#CC=C=C
-5998	mol	CC(C)CC#CC(C)C
-5999	mol	CC(C)CCC(C)(C)C
-6000	mol	CC(C)CCC(C)C=C
-6001	mol	CC(C)CCC(C)C#C
-6002	mol	CC(C)CCC#CC=C
-6003	mol	CC(C)CCCC(C)C
-6004	mol	CC(C)CCCCC=C
-6005	mol	CC(C)CCCCC#C
-6006	mol	CC(C#C)=C(C#C)C=C
-6007	mol	CC(C#C)=C(C#C)C#C
-6008	mol	CC(C#C)C(C#C)C=C
-6009	mol	CC(CC=C)(C#C)C=C
-6010	mol	CC(CC=C)(C#C)C#C
-6011	mol	CC(CC=C)C=CC=C
-6012	mol	CC(CC=C)C(C)C=C
-6013	mol	CC(CC=C)CC=C=C
-6014	mol	CC(CC#C)(C#C)C=C
-6015	mol	CC(CC#C)C(C)C=C
-6016	mol	CC(CC#C)C(C)C#C
-6017	mol	CC(CCC#CC)C#C
-6018	mol	CC(CCCC#C)C#C
-6019	mol	CC#CC#CC#CC=C
-6020	mol	CC#CC#CC#CC#C
-6021	mol	CCC=C=C(CC)C=C
-6022	mol	CCC=C(C(C)C)C=C
-6023	mol	CCC=C(C)C#CC=C
-6024	mol	CCC=C(CC)C(C)C
-6025	mol	CCC(C=C)=C(C)C=C
-6026	mol	CCC(C=C)=C(C)C#C
-6027	mol	CCC(C=C)(C=C)C=C
-6028	mol	CCC(C=C)C=CC#C
-6029	mol	CCC(C(C)C)C(C)C
-6030	mol	CCC(C(C)C#C)C#C
-6031	mol	CCC(C)=C(CC)CC
-6032	mol	CCC(C)(C(C)C)C=C
-6033	mol	CCC(C)(C)C=CC#C
-6034	mol	CCC(C)(C)CC(C)C
-6035	mol	CCC(C)(CC)C(C)C
-6036	mol	CCC(C)C=C=CC=C
-6037	mol	CCC(C)C=C(C)C#C
-6038	mol	CCC(C)C=CC=C=C
-6039	mol	CCC(C)C=CC(C)C
-6040	mol	CCC(C)C(=C=C)C=C
-6041	mol	CCC(C)C(=C)C=C=C
-6042	mol	CCC(C)C(=CC)C#C
-6043	mol	CCC(C)C(C(C)C)=C
-6044	mol	CCC(C)C(C)=CC#C
-6045	mol	CCC(C)C(C)(C)CC
-6046	mol	CCC(C)C(C)(C)C=C
-6047	mol	CCC(C)C(C)(C)C#C
-6048	mol	CCC(C)C(C)C(C)C
-6049	mol	CCC(C)C(C#C)C=C
-6050	mol	CCC(C)C(C#C)C#C
-6051	mol	CCC(C)C(CC)CC
-6052	mol	CCC(C)C(CC)=CC
-6053	mol	CCC(C)C(CC)C=C
-6054	mol	CCC(C)C#CC(C)C
-6055	mol	CCC(C)C#CCC=C
-6056	mol	CCC(C)CC(C)CC
-6057	mol	CCC(C)CC(C)(C)C
-6058	mol	CCC(C)CC(C)C=C
-6059	mol	CCC(C)CC#CC#C
-6060	mol	CCC(C)CCC=C=C
-6061	mol	CCC(C)CCC(C)C
-6062	mol	CCC(C)CCCC=C
-6063	mol	CCC(C#C)=C(C)C#C
-6064	mol	CCC(C#C)(C#C)C#C
-6065	mol	CCC(C#C)C#CC#C
-6066	mol	CCC(CC)(C#C)C#C
-6067	mol	CCC(CC)(CC)CC
-6068	mol	CCC(CC)CC(C)C
-6069	mol	CCC(CC#C)CC=C
-6070	mol	CCC(CCC#C)C=C
-6071	mol	CCC#CC=CC=C=C
-6072	mol	CCC#CC#CC(C)C
-6073	mol	CCCC=C=CC=C=C
-6074	mol	CCCC=C(C=C)C=C
-6075	mol	CCCC=C(C)CCC
-6076	mol	CCCC=C(C#C)C=C
-6077	mol	CCCC=C(C#C)C#C
-6078	mol	CCCC=CC=CC#C
-6079	mol	CCCC=CC(=C)C=C
-6080	mol	CCCC=CC(C)(C)C
-6081	mol	CCCC=CC#CC=C
-6082	mol	CCCC=CC#CC#C
-6083	mol	CCCC=CCC(C)C
-6084	mol	CCCC(=C(C)C)C=C
-6085	mol	CCCC(=CC)C=C=C
-6086	mol	CCCC(C=C)=CC=C
-6087	mol	CCCC(C=C)C=C=C
-6088	mol	CCCC(C(C)C)C=C
-6089	mol	CCCC(C(C)C)C#C
-6090	mol	CCCC(C(C)CC)=C
-6091	mol	CCCC(C)=CC(C)C
-6092	mol	CCCC(C)(C=C)C=C
-6093	mol	CCCC(C)(C)CCC
-6094	mol	CCCC(C)(C)C(C)C
-6095	mol	CCCC(C)(C)CC=C
-6096	mol	CCCC(C)(C)CC#C
-6097	mol	CCCC(C)(C#C)C#C
-6098	mol	CCCC(C)(CC)CC
-6099	mol	CCCC(C)(CC)C=C
-6100	mol	CCCC(C)C(C)CC
-6101	mol	CCCC(C)C(C)(C)C
-6102	mol	CCCC(C)C(C)C=C
-6103	mol	CCCC(C)C(C)C#C
-6104	mol	CCCC(C)CC(C)C
-6105	mol	CCCC(C)CCC=C
-6106	mol	CCCC(C)CCC#C
-6107	mol	CCCC(C#C)=CC#C
-6108	mol	CCCC(CC=C)C=C
-6109	mol	CCCC(CC=C)C#C
-6110	mol	CCCC(CC(C)C)=C
-6111	mol	CCCC(CC)CCC
-6112	mol	CCCC(CC)=CC=C
-6113	mol	CCCC(CC)C=C=C
-6114	mol	CCCC(CC)C(C)C
-6115	mol	CCCC(CC)CC=C
-6116	mol	CCCC(CC)CC#C
-6117	mol	CCCC(CC#C)C=C
-6118	mol	CCCC(CC#C)C#C
-6119	mol	CCCC(CCC)C=C
-6120	mol	CCCC(CCC)C#C
-6121	mol	CCCC#CC(C)C#C
-6122	mol	CCCC#CC#CC=C
-6123	mol	CCCC#CC#CC#C
-6124	mol	CCCC#CCC(C)C
-6125	mol	CCCCC=CCCC
-6126	mol	CCCCC=C=CCC
-6127	mol	CCCCC=C=CC=C
-6128	mol	CCCCC=C=CC#C
-6129	mol	CCCCC=C(C)C=C
-6130	mol	CCCCC=C(C)C#C
-6131	mol	CCCCC=CC=CC
-6132	mol	CCCCC=CC=C=C
-6133	mol	CCCCC=CC(C)C
-6134	mol	CCCCC(=C=C)C=C
-6135	mol	CCCCC(=C)C=C=C
-6136	mol	CCCCC(=CC)C=C
-6137	mol	CCCCC(=CC)C#C
-6138	mol	CCCCC(C=C)C=C
-6139	mol	CCCCC(C(C)C)=C
-6140	mol	CCCCC(C)CCC
-6141	mol	CCCCC(C)=CCC
-6142	mol	CCCCC(C)=C(C)C
-6143	mol	CCCCC(C)=CC=C
-6144	mol	CCCCC(C)=CC#C
-6145	mol	CCCCC(C)(C)CC
-6146	mol	CCCCC(C)(C)C=C
-6147	mol	CCCCC(C)(C)C#C
-6148	mol	CCCCC(C)C(C)C
-6149	mol	CCCCC(C)CC=C
-6150	mol	CCCCC(C)CC#C
-6151	mol	CCCCC(C#C)C=C
-6152	mol	CCCCC(C#C)C#C
-6153	mol	CCCCC(CC)CC
-6154	mol	CCCCC(CC)=CC
-6155	mol	CCCCC(CC)C=C
-6156	mol	CCCCC(CC)C#C
-6157	mol	CCCCC(CCC)=C
-6158	mol	CCCCC#CCCC
-6159	mol	CCCCC#CC(C)C
-6160	mol	CCCCC#CC#CC
-6161	mol	CCCCC#CCC=C
-6162	mol	CCCCCC(C)CC
-6163	mol	CCCCCC(C)(C)C
-6164	mol	CCCCCC(C)C=C
-6165	mol	CCCCCC(C)C#C
-6166	mol	CCCCCC#CC#C
-6167	mol	CCCCCCC=C=C
-6168	mol	CCCCCCC(C)C
-6169	mol	CCCCCCC(C)=C
-6170	mol	CCCCCCC#CC
-6171	mol	CCCCCCCC=C
-6172	mol	CCCCCCCC#C
-6173	mol	CC(C)CC(CCCC1Br)C1Cl
-6174	mol	CC(C)Cc(cccc1C)c1C
-6175	mol	CCC(C)(C)c(ccc1)cc1C
-6176	mol	CCCCCC(CCC1)CC1C
-6177	mol	CCCCc(cccc1C)c1CC
-6178	mol	CCCCc(cccc1C)c1CCCC
-6179	mol	CCC(CC)C(CCC1)CC1CC(C)C
-6180	mol	CCCCCC(CCC1)CC1CCCC
-6181	mol	CC(C)c(cc(C)cc1C)c1C=O
-6182	mol	CCCc(cc(C)cc1C)c1C=O
-6183	mol	CCCCCc(ccc1)cc1N
-6184	mol	CCC(CC)C(CCC1)CC1N
-6185	mol	CC(C)Cc(cccc1C)c1O
-6186	mol	CCC(C)c(cccc1C)c1O
-6187	mol	C#CC(C#C)c(ccc1)cc1O
-6188	mol	CC(C=C)Cc(ccc1)cc1O
-6189	mol	CC(C)(C=C)c(ccc1)cc1O
-6190	mol	CC(C)CCc(ccc1)cc1O
-6191	mol	CC(C#C)Cc(ccc1)cc1O
-6192	mol	CCC(=CC)c(ccc1)cc1O
-6193	mol	CCC(C=C)c(ccc1)cc1O
-6194	mol	CCC(CC)c(ccc1)cc1O
-6195	mol	CCCC=Cc(ccc1)cc1O
-6196	mol	CCCC(C)c(ccc1)cc1O
-6197	mol	CCCC#Cc(ccc1)cc1O
-6198	mol	CCCCCc(ccc1)cc1O
-6199	mol	CCCC(C)C(CCC1)CC1O
-6200	mol	CCCCC(CCCC1C)C1O
-6201	mol	CCCCCC(CCC1)CC1O
-6202	mol	CCCC(CC)C(CC1)CCC1C
-6203	mol	CCCCCCC(CC1)CCC1CC
-6204	mol	CCCC(CC)C(CC1)CCC1C(C)C
-6205	mol	CCCC(CC)C(CC1)CCC1CC(C)C
-6206	mol	CCCCc(cccc1CCC)c1O
-6207	mol	CCCCCCCCc1ccccc1
-6208	mol	CC(C)CC(C)(CC)c1ccccc1
-6209	mol	CC(C)CCC(C)Cc1ccccc1
-6210	mol	CCC(C)CC(C)Cc1ccccc1
-6211	mol	CCC(C)CCC(C)c1ccccc1
-6212	mol	CCCC(CC(C)C)c1ccccc1
-6213	mol	CCCC(CC)C(C)c1ccccc1
-6214	mol	CCCC(CCC)Cc1ccccc1
-6215	mol	CCCCC(C)C(C)c1ccccc1
-6216	mol	CCCCC(CCC)c1ccccc1
-6217	mol	CCCCCC(C)Cc1ccccc1
-6218	mol	CCCCCC(CC)c1ccccc1
-6219	mol	CCCCCCC(C)c1ccccc1
-6220	mol	CCCCCCCCC1CCCCC1
-6221	mol	CC(C)CCC(C)CC1CCCCC1
-6222	mol	CCC(C)CCCCC1CCCCC1
-6223	mol	CCC(C)CCC(C)C1CCCCC1
-6224	mol	CCC(CC(C)(C)C)C1CCCCC1
-6225	mol	CCC(CC)C(CC)C1CCCCC1
-6226	mol	CCCC(C)(CCC)C1CCCCC1
-6227	mol	CCCC(C)C(CC)C1CCCCC1
-6228	mol	CCCC(CC)CCC1CCCCC1
-6229	mol	CCCC(CC)C(C)C1CCCCC1
-6230	mol	CCCCC(C(C)C)C1CCCCC1
-6231	mol	CCCCC(C)(C)CC1CCCCC1
-6232	mol	CCCCC(CC)CC1CCCCC1
-6233	mol	CCCCC(CCC)C1CCCCC1
-6234	mol	CCCCCC(C)CC1CCCCC1
-6235	mol	CCCCCC(CC)C1CCCCC1
-6236	mol	CCCCCCC(C)C1CCCCC1
-6237	mol	CCCCCCCCC1CCCCC1C
-6238	mol	CCCCC(CCC)C1CCCCC1C
-6239	mol	CCCC(C(C(C)C)C1CCCCC1)=O
-6240	mol	CCCC(CCC)C(C1CCCCC1)=O
-6241	mol	CCCCC(CCC)C1CCCCC1O
-6242	mol	CCCCCC(C)C(C1CCCCC1)=O
-6243	mol	CCCCCCC(C)C1CCCCC1O
-6244	mol	CCCCCCCCC1CCCCCCC1
-6245	mol	CC(C)CCCCCC1CCCCCCC1
-6246	mol	CC(C)CC(C(C)C)C1CCCCCCC1
-6247	mol	CC(C)CCC(C)CC1CCCCCCC1
-6248	mol	CCC(C)CC(C)CC1CCCCCCC1
-6249	mol	CCCC(C)CC(C)C1CCCCCCC1
-6250	mol	CCCC(CC(C)C)C1CCCCCCC1
-6251	mol	CCCCC(C)CCC1CCCCCCC1
-6252	mol	CCCCC(CCC)C1CCCCCCC1
-6253	mol	CCCCCC(C)CC1CCCCCCC1
-6254	mol	CCCCCC(CC)C1CCCCCCC1
-6255	mol	CCCCCCC(C)C1CCCCCCC1
-6256	mol	CC(C)c(cc(C)cc1CCCC=O)c1C=O
-6257	mol	CCCCC(CCCC1Cl)C1CCCC
-6258	mol	CC(C)Cc(cccc1F)c1F
-6259	mol	CCCCc(cccc1F)c1F
-6260	mol	CCCCc(cccc1F)c1O
-6261	mol	CC(C)Cc(cccc1N)c1C
-6262	mol	CCCCC(CCCC1N)C1CC
-6263	mol	CC(C)Cc(cccc1N)c1N
-6264	mol	CCC(C)c(cccc1N)c1N
-6265	mol	CCc(cc(C=C)cc1N)c1O
-6266	mol	CCc(cc(C=C)cc1O)c1C
-6267	mol	CC(C)c(cc(C)cc1O)c1C
-6268	mol	CC(C)Cc(cccc1O)c1C
-6269	mol	CCC(C)c(cccc1O)c1C
-6270	mol	CCCCc(cccc1O)c1C
-6271	mol	CCCCC(CCCC1O)C1C
-6272	mol	CCCCc(cccc1O)c1CC
-6273	mol	CC(C)Cc(cccc1O)c1F
-6274	mol	CCc(cc(C=C)cc1O)c1N
-6275	mol	CC(C)Cc(cccc1O)c1N
-6276	mol	CCCCc(cccc1O)c1N
-6277	mol	CCc(cc(C=C)cc1O)c1O
-6278	mol	CC(C)c(cc(C)cc1O)c1O
-6279	mol	CCCc(cc(C)cc1O)c1O
-6280	mol	CC(C)c(c(C)ccc1O)c1O
-6281	mol	CCC(C)c(cccc1O)c1O
-6282	mol	CCCCc(cccc1O)c1O
-6283	mol	CCC(C)C(CCCC1O)C1O
-6284	mol	CCC(C)C(C)CC(C2CCCCC2)C1CCCCC1
-6285	mol	CCCCCCCCCBr
-6286	mol	CC(C)C#CC(=C)C#CBr
-6287	mol	CCC(C)CC(CC)CBr
-6288	mol	CCCC(CC)CC(C)Br
-6289	mol	CCCCC(C=C)=C=CBr
-6290	mol	CC(C)CC(=C)C#CC(Br)=O
-6291	mol	CCCCC=CC#CC(Br)=O
-6292	mol	CCCCCCCCCC
-6293	mol	C=C=CC=C(C=C)C=C=C
-6294	mol	C=CC=C=C(C=C)C=C=C
-6295	mol	C=CC#CC=C(C#C)C#C
-6296	mol	C=CC#CC=CC#CC=C
-6297	mol	C=CC#CC(C=C)=CC=C
-6298	mol	C=CC#CC#CC=CC=C
-6299	mol	C=CC#CC#CC(=C)C=C
-6300	mol	C=CC#CC#CC#CC=C
-6301	mol	C=CCC(C=C)(C=C)C=C
-6302	mol	C=CCCC(CC=C)C=C
-6303	mol	C#CC=C(C#C)C(=C)C#C
-6304	mol	C#CC=CC=C(C#C)C=C
-6305	mol	C#CC(C=C)=C(C#C)C=C
-6306	mol	C#CC(C(C#C)C#C)C#C
-6307	mol	C#CC(C#C)=C(C#C)C#C
-6308	mol	C#CC#CC(C=C)=CC=C
-6309	mol	C#CC#CC(C#C)=CC#C
-6310	mol	C#CC#CC#CC#CC=C
-6311	mol	C#CC#CC#CC#CC#C
-6312	mol	C#CCC(C)=C(C#C)C=C
-6313	mol	C#CCC(C#C)C#CC#C
-6314	mol	C#CCCC(CC=C)C#C
-6315	mol	C#CCCC(CC#C)C#C
-6316	mol	CC(C(C)C#C)C(C)C#C
-6317	mol	CC(C(CC#C)C#C)C=C
-6318	mol	CC(C)(C(C#C)C=C)C=C
-6319	mol	CC(C)(C)C(=C=C)C=C=C
-6320	mol	CC(C)(C)C#CC#CC#C
-6321	mol	CC(C)C(C=C=C)C=C=C
-6322	mol	CC(C)C(C=C)=C(C)C=C
-6323	mol	CC(C)C(C=C)C#CC=C
-6324	mol	CC(C)C(C(C)(C)C)C#C
-6325	mol	CC(C)C(C)=C(CC)C=C
-6326	mol	CC(C)C(C)C(C)C(C)C
-6327	mol	CC(C)C(C)C(C#C)C#C
-6328	mol	CC(C)C(C)CC(C)(C)C
-6329	mol	CC(C)C(C#C)(C#C)C=C
-6330	mol	CC(C)C(C#C)C(=C)C#C
-6331	mol	CC(C)C(C#C)C#CC#C
-6332	mol	CC(C)C(CCC#C)C#C
-6333	mol	CC(C)C#CC(C)(C)C#C
-6334	mol	CC(C)CC=C=CC=C=C
-6335	mol	CC(C)CC=C=CC(C)C
-6336	mol	CC(C)CC=C(C)C(C)C
-6337	mol	CC(C)CC=C(C#C)C=C
-6338	mol	CC(C)CC=C(C#C)C#C
-6339	mol	CC(C)CC=CC=CC=C
-6340	mol	CC(C)CC=CC(C)(C)C
-6341	mol	CC(C)CC=CC#CC=C
-6342	mol	CC(C)CC=CC#CC#C
-6343	mol	CC(C)CC=CCC(C)C
-6344	mol	CC(C)CC(=C)C=CC=C
-6345	mol	CC(C)CC(=C)C#CC=C
-6346	mol	CC(C)CC(=CCC)C=C
-6347	mol	CC(C)CC(=CCC)C#C
-6348	mol	CC(C)CC(C=C)=CC=C
-6349	mol	CC(C)CC(C(C)C)=C=C
-6350	mol	CC(C)CC(C(C)C)C=C
-6351	mol	CC(C)CC(C(C)C)C#C
-6352	mol	CC(C)CC(C)=C(C)CC
-6353	mol	CC(C)CC(C)=CC(C)C
-6354	mol	CC(C)CC(C)(C=C)C=C
-6355	mol	CC(C)CC(C)(C)CC=C
-6356	mol	CC(C)CC(C)(C)CC#C
-6357	mol	CC(C)CC(C)(C#C)C=C
-6358	mol	CC(C)CC(C)(C#C)C#C
-6359	mol	CC(C)CC(C)(CC)CC
-6360	mol	CC(C)CC(C)(CC)C=C
-6361	mol	CC(C)CC(C)(CC)C#C
-6362	mol	CC(C)CC(C)C(C)(C)C
-6363	mol	CC(C)CC(C)C(C)C=C
-6364	mol	CC(C)CC(C)C(C)C#C
-6365	mol	CC(C)CC(C)CC=C=C
-6366	mol	CC(C)CC(C)CC(C)C
-6367	mol	CC(C)CC(C)CCC=C
-6368	mol	CC(C)CC(C)CCC#C
-6369	mol	CC(C)CC(C#C)=CC=C
-6370	mol	CC(C)CC(C#C)=CC#C
-6371	mol	CC(C)CC(CC=C)C=C
-6372	mol	CC(C)CC(CC=C)C#C
-6373	mol	CC(C)CC(CC(C)C)=C
-6374	mol	CC(C)CC(CC)=CCC
-6375	mol	CC(C)CC(CC)=CC=C
-6376	mol	CC(C)CC(CC)=CC#C
-6377	mol	CC(C)CC(CC#C)C=C
-6378	mol	CC(C)CC(CC#C)C#C
-6379	mol	CC(C)CC#CC=CC#C
-6380	mol	CC(C)CC#CC(C)C#C
-6381	mol	CC(C)CC#CC#CCC
-6382	mol	CC(C)CC#CC#CC=C
-6383	mol	CC(C)CC#CC#CC#C
-6384	mol	CC(C)CC#CCC(C)C
-6385	mol	CC(C)CC#CCCC#C
-6386	mol	CC(C)CCC(C=C)C=C
-6387	mol	CC(C)CCC(C)(C)CC
-6388	mol	CC(C)CCC(C)C(C)C
-6389	mol	CC(C)CCC(C)CC=C
-6390	mol	CC(C)CCC(C)CC#C
-6391	mol	CC(C)CCC(C#C)C#C
-6392	mol	CC(C)CCC(CC)C=C
-6393	mol	CC(C)CCC(CC)C#C
-6394	mol	CC(C)CCCC(C)C=C
-6395	mol	CC(C)CCCCCC#C
-6396	mol	CC(C#C)C(C)(C#C)C=C
-6397	mol	CC(C#C)C(C)(C#C)C#C
-6398	mol	CC(C#C)C#CC#CC=C
-6399	mol	CC(CC=C)CC#CC#C
-6400	mol	CC(CC(C=C)C=C)C=C
-6401	mol	CC(CC#C)C(C)(C)C#C
-6402	mol	CC(CC#C)C(C#C)C#C
-6403	mol	CCC=C=CC=CC=C=C
-6404	mol	CCC=CC=CC(C)(C)C
-6405	mol	CCC(C=C)=C(C#C)C=C
-6406	mol	CCC(C(C)C)=C(C)C=C
-6407	mol	CCC(C(C)C)(C=C)C=C
-6408	mol	CCC(C(C)C)(C#C)C=C
-6409	mol	CCC(C(C)C)C(C)(C)C
-6410	mol	CCC(C(C)C)C#CC#C
-6411	mol	CCC(C(C)C)CC=C=C
-6412	mol	CCC(C(C)CC=C)C#C
-6413	mol	CCC(C)=C(C(C)C)C#C
-6414	mol	CCC(C)(C(C)C)C(C)C
-6415	mol	CCC(C)(C)C(CC)C=C
-6416	mol	CCC(C)(C)CC#CC=C
-6417	mol	CCC(C)(C)CC#CC#C
-6418	mol	CCC(C)C=C(C#C)C=C
-6419	mol	CCC(C)C=C(CC)C=C
-6420	mol	CCC(C)C=CC(C)CC
-6421	mol	CCC(C)C=CC#CCC
-6422	mol	CCC(C)C=CC#CC=C
-6423	mol	CCC(C)C=CC#CC#C
-6424	mol	CCC(C)C(=C=C)C=C=C
-6425	mol	CCC(C)C(=CCC)C=C
-6426	mol	CCC(C)C(C=C)=CC=C
-6427	mol	CCC(C)C(C=C)=CC#C
-6428	mol	CCC(C)C(C(C)C)C=C
-6429	mol	CCC(C)C(C(C)CC)=C
-6430	mol	CCC(C)C(C)(C)CC=C
-6431	mol	CCC(C)C(C)(CC)C=C
-6432	mol	CCC(C)C(C)C(C)CC
-6433	mol	CCC(C)C(C)CC(C)C
-6434	mol	CCC(C)C(C#C)=CC#C
-6435	mol	CCC(C)C(CC(C)C)=C
-6436	mol	CCC(C)C(CC)=CC=C
-6437	mol	CCC(C)C(CC)=CC#C
-6438	mol	CCC(C)C(CC)C(C)C
-6439	mol	CCC(C)C(CC)CC=C
-6440	mol	CCC(C)C(CC#C)C#C
-6441	mol	CCC(C)C#CC=CC=C
-6442	mol	CCC(C)C#CC(C)C=C
-6443	mol	CCC(C)C#CC#CC=C
-6444	mol	CCC(C)C#CC#CC#C
-6445	mol	CCC(C)CC(C)(C)CC
-6446	mol	CCC(C)CC(C)C(C)C
-6447	mol	CCC(C)CC(C)CC=C
-6448	mol	CCC(C)CC(C)CC#C
-6449	mol	CCC(C)CC(C#C)C=C
-6450	mol	CCC(C)CC(C#C)C#C
-6451	mol	CCC(C)CC(CC)CC
-6452	mol	CCC(C)CC(CC)C=C
-6453	mol	CCC(C)CC(CCC)=C
-6454	mol	CCC(C)CCC(C)CC
-6455	mol	CCC(C)CCCC(C)C
-6456	mol	CCC(C#C)=C(C#C)C#C
-6457	mol	CCC(C#C)C(C=C)C=C
-6458	mol	CCC(C#C)C(C#C)C=C
-6459	mol	CCC(CC=C)C=CC=C
-6460	mol	CCC(CC=C)C=CC#C
-6461	mol	CCC(CC(C)C)C(C)C
-6462	mol	CCC(CC)=C(CC)C=C
-6463	mol	CCC(CC)(CC)C(C)C
-6464	mol	CCC(CC)C(C)(C)CC
-6465	mol	CCC(CC)C(C)C(C)C
-6466	mol	CCC(CC)C(CC)CC
-6467	mol	CCC(CC)CCC(C)C
-6468	mol	CCC(CC#C)C=CC#C
-6469	mol	CCC#CC=CC#CC=C
-6470	mol	CCC#CC#CC(C)(C)C
-6471	mol	CCC#CC#CC#CC#C
-6472	mol	CCCC=C(C)CC(C)C
-6473	mol	CCCC=C(CC)CCC
-6474	mol	CCCC=CC=CCCC
-6475	mol	CCCC=CC(CC)=CC
-6476	mol	CCCC(=CC(C)C)C=C
-6477	mol	CCCC(C=C=C)C=C=C
-6478	mol	CCCC(C=C)=C(C)C=C
-6479	mol	CCCC(C=C)(C=C)C=C
-6480	mol	CCCC(C=C)C=CC=C
-6481	mol	CCCC(C=C)C=CC#C
-6482	mol	CCCC(C=C)C#CC#C
-6483	mol	CCCC(C(C)C)=CC=C
-6484	mol	CCCC(C(C)C)C=C=C
-6485	mol	CCCC(C(C)C)C(C)C
-6486	mol	CCCC(C(C)C#C)C#C
-6487	mol	CCCC(C(C)CC)C=C
-6488	mol	CCCC(C(C)CC)C#C
-6489	mol	CCCC(C)=CCC(C)C
-6490	mol	CCCC(C)(C)C(C)CC
-6491	mol	CCCC(C)(C)CC(C)C
-6492	mol	CCCC(C)(C#C)C=C=C
-6493	mol	CCCC(C)(CC)CCC
-6494	mol	CCCC(C)(CC)C(C)C
-6495	mol	CCCC(C)(CC)CC=C
-6496	mol	CCCC(C)(CCC)C=C
-6497	mol	CCCC(C)C(C)CCC
-6498	mol	CCCC(C)C(C)C(C)C
-6499	mol	CCCC(C)C(C#C)C#C
-6500	mol	CCCC(C)C(CC)CC
-6501	mol	CCCC(C)C(CC)C=C
-6502	mol	CCCC(C)C(CC)C#C
-6503	mol	CCCC(C)CC(C)CC
-6504	mol	CCCC(C)CCC(C)C
-6505	mol	CCCC(C#C)=C(C)C#C
-6506	mol	CCCC(C#C)(C#C)C=C
-6507	mol	CCCC(C#C)C(=C)C#C
-6508	mol	CCCC(C#C)C#CC#C
-6509	mol	CCCC(CC(C)C)C=C
-6510	mol	CCCC(CC(C)C)C#C
-6511	mol	CCCC(CC)(C=C)C=C
-6512	mol	CCCC(CC)(CC)CC
-6513	mol	CCCC(CC)(CC)C=C
-6514	mol	CCCC(CC)C(C)CC
-6515	mol	CCCC(CC)C(C)(C)C
-6516	mol	CCCC(CC)C(C)C=C
-6517	mol	CCCC(CC)CC(C)C
-6518	mol	CCCC(CCC)CCC
-6519	mol	CCCC(CCC)=CCC
-6520	mol	CCCC(CCC)=CC#C
-6521	mol	CCCC(CCC)C(C)C
-6522	mol	CCCC(CCC)CC=C
-6523	mol	CCCCC=CCCCC
-6524	mol	CCCCC=C=CC=C=C
-6525	mol	CCCCC=C(C=C)C=C
-6526	mol	CCCCC=C(C)CCC
-6527	mol	CCCCC=C(C#C)C=C
-6528	mol	CCCCC=C(C#C)C#C
-6529	mol	CCCCC=C(CC)CC
-6530	mol	CCCCC=C(CC)C=C
-6531	mol	CCCCC=CC=CC=C
-6532	mol	CCCCC=CC(C)CC
-6533	mol	CCCCC=CC#CC=C
-6534	mol	CCCCC=CCC(C)C
-6535	mol	CCCCC(=C=C)C=C=C
-6536	mol	CCCCC(=C(C)C)C=C
-6537	mol	CCCCC(=C)C=CC=C
-6538	mol	CCCCC(=CC)C=C=C
-6539	mol	CCCCC(=CCC)C=C
-6540	mol	CCCCC(C=C)=CC=C
-6541	mol	CCCCC(C=C)=CC#C
-6542	mol	CCCCC(C(C)C)C=C
-6543	mol	CCCCC(C(C)C)C#C
-6544	mol	CCCCC(C(C)CC)=C
-6545	mol	CCCCC(C)CCCC
-6546	mol	CCCCC(C)=CCCC
-6547	mol	CCCCC(C)=C(C)C#C
-6548	mol	CCCCC(C)(C=C)C=C
-6549	mol	CCCCC(C)(C)CCC
-6550	mol	CCCCC(C)(C)C(C)C
-6551	mol	CCCCC(C)(C)CC#C
-6552	mol	CCCCC(C)(C#C)C#C
-6553	mol	CCCCC(C)(CC)CC
-6554	mol	CCCCC(C)(CC)C=C
-6555	mol	CCCCC(C)C(C)CC
-6556	mol	CCCCC(C)C(C)(C)C
-6557	mol	CCCCC(C)C(C)C=C
-6558	mol	CCCCC(C)C(C)C#C
-6559	mol	CCCCC(C)CC=C=C
-6560	mol	CCCCC(C)CC(C)C
-6561	mol	CCCCC(C)CCC=C
-6562	mol	CCCCC(C#C)=CC=C
-6563	mol	CCCCC(C#C)=CC#C
-6564	mol	CCCCC(CC(C)C)=C
-6565	mol	CCCCC(CC)CCC
-6566	mol	CCCCC(CC)=CCC
-6567	mol	CCCCC(CC)=CC=C
-6568	mol	CCCCC(CC)C(C)C
-6569	mol	CCCCC(CC)CC=C
-6570	mol	CCCCC(CC#C)C#C
-6571	mol	CCCCC(CCC)=CC
-6572	mol	CCCCC(CCC)C=C
-6573	mol	CCCCC(CCC)C#C
-6574	mol	CCCCC(CCCC)=C
-6575	mol	CCCCC#CCCCC
-6576	mol	CCCCC#CC=CC=C
-6577	mol	CCCCC#CC=CC#C
-6578	mol	CCCCC#CC(C)CC
-6579	mol	CCCCC#CC(C)(C)C
-6580	mol	CCCCC#CC(C)C#C
-6581	mol	CCCCC#CC#CC#C
-6582	mol	CCCCC#CCC(C)C
-6583	mol	CCCCCC(C)CCC
-6584	mol	CCCCCC(C)(C)CC
-6585	mol	CCCCCC(C)(C)C=C
-6586	mol	CCCCCC(C)C(C)C
-6587	mol	CCCCCC(C)CC=C
-6588	mol	CCCCCC(C)CC#C
-6589	mol	CCCCCC(C#C)C#C
-6590	mol	CCCCCC(CC)CC
-6591	mol	CCCCCC(CC)C#C
-6592	mol	CCCCCCC(C)CC
-6593	mol	CCCCCCC(C)(C)C
-6594	mol	CCCCCCC(C)C=C
-6595	mol	CCCCCCC(C)C#C
-6596	mol	CCCCCCCC(C)C
-6597	mol	CCCCCCCCC=C
-6598	mol	CCCC(CC)C(CCC1)CC1CC
-6599	mol	CCCCC(CCCCC1)CC1CC
-6600	mol	CCCC(CC)C(CCC1)CC1C(C)C
-6601	mol	CCCCCCC(CCC1)CC1Cl
-6602	mol	CCCCCCc(ccc1)cc1O
-6603	mol	CC(C)CC(CCCCC1)CC1O
-6604	mol	CCCCC(CC)C(CC1)CCC1CC
-6605	mol	CCCCCCCC(CC1)CCC1Cl
-6606	mol	CCCCCC(C)C(CC1)CCC1F
-6607	mol	CCCC(CC(CC)CC1CC)C1N
-6608	mol	CCCCC(CC)C(CC1)CCC1N
-6609	mol	CCCCCC(CCCC1CC)C1N
-6610	mol	CCCCCCCC(CC1)CCC1N
-6611	mol	CCCC(C)C(CCCC1)CCC1O
-6612	mol	CCC(C)C(CC)CCc1ccccc1
-6613	mol	CCCC(C)CCCCc1ccccc1
-6614	mol	CCCC(CC)C(CC)c1ccccc1
-6615	mol	CCCC(CCC)CCc1ccccc1
-6616	mol	CCCCCC(C)CCc1ccccc1
-6617	mol	CCCCCC(CCC)c1ccccc1
-6618	mol	CCCCCCC(C)(C)c1ccccc1
-6619	mol	CCCCCCCC(C)c1ccccc1
-6620	mol	CCCCCCCCCC1CCCCC1
-6621	mol	CC(C)CCCC(CC)C1CCCCC1
-6622	mol	CCC(C)C(CC(C)C)C1CCCCC1
-6623	mol	CCCC(C)CCCCC1CCCCC1
-6624	mol	CCCC(C)(CC(C)C)C1CCCCC1
-6625	mol	CCCC(C)C(C)(C)CC1CCCCC1
-6626	mol	CCCC(CC(C)C)CC1CCCCC1
-6627	mol	CCCC(CC(C)CC)C1CCCCC1
-6628	mol	CCCC(CC)C(CC)C1CCCCC1
-6629	mol	CCCC(CC)CC(C)C1CCCCC1
-6630	mol	CCCC(CCC)CCC1CCCCC1
-6631	mol	CCCCC(C)C(CC)C1CCCCC1
-6632	mol	CCCCC(CCC)CC1CCCCC1
-6633	mol	CCCCCC(C(C)C)C1CCCCC1
-6634	mol	CCCCCC(C)(C)CC1CCCCC1
-6635	mol	CCCCCC(C)(CC)C1CCCCC1
-6636	mol	CCCCCC(C)C(C)C1CCCCC1
-6637	mol	CCCCCC(CCC)C1CCCCC1
-6638	mol	CCCCCCC(C)CC1CCCCC1
-6639	mol	CCCCCCC(CC)C1CCCCC1
-6640	mol	CCC(CC)C(CCCC1O)C1C
-6641	mol	CCC(CC)C(CCCC1O)C1N
-6642	mol	CC(C)CC#CC(CC)=CBr
-6643	mol	CCCCCCCCCCC
-6644	mol	C=C=CC=C=C(C#C)C=C=C
-6645	mol	C=C=CC=C(C=C=C)C=C=C
-6646	mol	C=CC(C)C(C#C)=C(C)C#C
-6647	mol	C#CCC(CC=C)(C#C)C#C
-6648	mol	CC(C)(C)C(C(C)C#C)C#C
-6649	mol	CC(C)(C)C(CCC=C)C=C
-6650	mol	CC(C)C=CC(CC)=CC=C
-6651	mol	CC(C)C(C=C=C)=C=CC=C
-6652	mol	CC(C)C(C=C=C)=CC=C=C
-6653	mol	CC(C)C(C=C)=CC#CC=C
-6654	mol	CC(C)C(C(C)CC#C)C#C
-6655	mol	CC(C)C(CCC=C)CC=C
-6656	mol	CC(C)CC=C(C(C)C)C=C
-6657	mol	CC(C)CC=C(C(C)C)C#C
-6658	mol	CC(C)CC=C(C)CC(C)C
-6659	mol	CC(C)CC=C(CC)C(C)C
-6660	mol	CC(C)CC=C(CCC)C=C
-6661	mol	CC(C)CC=C(CCC)C#C
-6662	mol	CC(C)CC=CC=CC(C)C
-6663	mol	CC(C)CC=CC(=CC)C=C
-6664	mol	CC(C)CC(=C(C)CC)C=C
-6665	mol	CC(C)CC(=C)C(=C)C=CC
-6666	mol	CC(C)CC(C(C)(C)C)C#C
-6667	mol	CC(C)CC(C(C)C)=CCC
-6668	mol	CC(C)CC(C(C)C)=CC#C
-6669	mol	CC(C)CC(C(C)C)CC=C
-6670	mol	CC(C)CC(C(C)C#C)C#C
-6671	mol	CC(C)CC(C)=C(C=C)C=C
-6672	mol	CC(C)CC(C)=C(CC)CC
-6673	mol	CC(C)CC(C)=C(CC)C=C
-6674	mol	CC(C)CC(C)(C)CC(C)C
-6675	mol	CC(C)CC(C)C(C)(C)CC
-6676	mol	CC(C)CC(C)C(C#C)C#C
-6677	mol	CC(C)CC(C)CC(C)(C)C
-6678	mol	CC(C)CC(C#C)=C=CC=C
-6679	mol	CC(C)CC(C#C)=C(C)C#C
-6680	mol	CC(C)CC(C#C)C#CCC
-6681	mol	CC(C)CC(CC(C)C)=CC
-6682	mol	CC(C)CC(CC(C)C)C=C
-6683	mol	CC(C)CC(CC)=C(C)C=C
-6684	mol	CC(C)CC(CC)(CC)CC
-6685	mol	CC(C)CC(CC)(CC)C=C
-6686	mol	CC(C)CC(CC)(CC)C#C
-6687	mol	CC(C)CC(CC)C(C)C=C
-6688	mol	CC(C)CC(CC)C(C)C#C
-6689	mol	CC(C)CC(CC)C#CC#C
-6690	mol	CC(C)CCC=CC(C)(C)C
-6691	mol	CC(C)CCC(C=C)=CC=C
-6692	mol	CC(C)CCC(C)(C=C)C=C
-6693	mol	CC(C)CCC(C)(C)CC#C
-6694	mol	CC(C)CCC(C)C(C)C=C
-6695	mol	CC(C)CCC(C)CC(C)C
-6696	mol	CC(C)CCC(CC)CC=C
-6697	mol	CC(C)CCCCC#CC=C
-6698	mol	CC(C)CCCCC#CC#C
-6699	mol	CC(C)CCCCCC(C)C
-6700	mol	CC(C#C)=C(C#C)C#CC#C
-6701	mol	CC(CC=C=C)(C=C)C=C=C
-6702	mol	CC(CC=C)C(C)(C=C)C=C
-6703	mol	CC(CC=C)C(C)(C#C)C=C
-6704	mol	CC(CCC=C(C)C#C)C#C
-6705	mol	CCC(C=C=C)=C=CC=C=C
-6706	mol	CCC(C(C)C)=C(C)C(C)C
-6707	mol	CCC(C(C)C)C(C#C)C#C
-6708	mol	CCC(C(C)C)C(CC)C=C
-6709	mol	CCC(C(C)C)CC(C)(C)C
-6710	mol	CCC(C)=CC=CC(C)(C)C
-6711	mol	CCC(C)(CC)C(CC)C=C
-6712	mol	CCC(C)C=C=CCC(C)C
-6713	mol	CCC(C)C=C(C(C)C)C#C
-6714	mol	CCC(C)C(C=C)=C(C)C=C
-6715	mol	CCC(C)C(C(C)C)=CCC
-6716	mol	CCC(C)C(C(C)CC)=CC
-6717	mol	CCC(C)C(C)=CCC(C)C
-6718	mol	CCC(C)C(C)(C)C(C)CC
-6719	mol	CCC(C)C(C)(C)CC(C)C
-6720	mol	CCC(C)C(C)(CC)CC=C
-6721	mol	CCC(C)C(C)C(C)(C)C=C
-6722	mol	CCC(C)C(C)C(CC)CC
-6723	mol	CCC(C)C(C)CC(C)C=C
-6724	mol	CCC(C)C(C)CCC(C)C
-6725	mol	CCC(C)C(C#C)=C(C)C#C
-6726	mol	CCC(C)C(CC(C)C)C=C
-6727	mol	CCC(C)C(CC(C)C)C#C
-6728	mol	CCC(C)C(CC)(CC)CC
-6729	mol	CCC(C)C(CC)C(C)CC
-6730	mol	CCC(C)C(CC)CC(C)C
-6731	mol	CCC(C)C#CC(CC)CC
-6732	mol	CCC(C)CC(C)C(C)CC
-6733	mol	CCC(C)CC(C)CC(C)C
-6734	mol	CCC(C)CC(CC=C)C=C
-6735	mol	CCC(C)CC(CC)C(C)C
-6736	mol	CCC(C)CCC(C)C(C)C
-6737	mol	CCC(C)CCC(C#C)C#C
-6738	mol	CCC(C)CCCC(C)CC
-6739	mol	CCC(C#C)=CC(=CC)C#C
-6740	mol	CCC(CC(C)C)CC(C)C
-6741	mol	CCC(CC)C(C)CC(C)C
-6742	mol	CCCC=C(CC)CC(C)C
-6743	mol	CCCC=C(CCC)C(C)C
-6744	mol	CCCC=CC=CCC(C)C
-6745	mol	CCCC=CC(C=C)=CC=C
-6746	mol	CCCC=CC(C)(C#C)C#C
-6747	mol	CCCC=CC(CC)=C(C)C
-6748	mol	CCCC(=C)C(C=C)=CC=C
-6749	mol	CCCC(=CC(C)(C)C)C=C
-6750	mol	CCCC(C(C)C)=C(C)C=C
-6751	mol	CCCC(C(C)C)(C=C)C=C
-6752	mol	CCCC(C(C)C)(C#C)C#C
-6753	mol	CCCC(C(C)C)C(C)CC
-6754	mol	CCCC(C(C)CC)=CC#C
-6755	mol	CCCC(C(C#C)C#C)C#C
-6756	mol	CCCC(C)=C(CCC)C=C
-6757	mol	CCCC(C)(C)CCC(C)C
-6758	mol	CCCC(C)(CC(C)C)C=C
-6759	mol	CCCC(C)(CC(C)C)C#C
-6760	mol	CCCC(C)(CC)C(C)CC
-6761	mol	CCCC(C)(CC)CC(C)C
-6762	mol	CCCC(C)(CC)CCC=C
-6763	mol	CCCC(C)(CCC)CCC
-6764	mol	CCCC(C)(CCC)C(C)C
-6765	mol	CCCC(C)(CCC)CC#C
-6766	mol	CCCC(C)C(C)(C)CCC
-6767	mol	CCCC(C)C(C)(C#C)C#C
-6768	mol	CCCC(C)C(C)C(C)CC
-6769	mol	CCCC(C)C(C)C(C)(C)C
-6770	mol	CCCC(C)C(C)CC(C)C
-6771	mol	CCCC(C)C(CC)CCC
-6772	mol	CCCC(C)CC(CC)CC
-6773	mol	CCCC(C)CCCC(C)C
-6774	mol	CCCC(CC=C)(C=C)C=C
-6775	mol	CCCC(CC=C)(C#C)C#C
-6776	mol	CCCC(CC=C)C(C)C=C
-6777	mol	CCCC(CC(C)C)=CCC
-6778	mol	CCCC(CC(C)C)=CC=C
-6779	mol	CCCC(CC(C)C)C(C)C
-6780	mol	CCCC(CC(C)C)CC=C
-6781	mol	CCCC(CC(C)C)CC#C
-6782	mol	CCCC(CC)=CCC(C)C
-6783	mol	CCCC(CC)C(C)(C)CC
-6784	mol	CCCC(CC)C(C)C(C)C
-6785	mol	CCCC(CC)C(CC)CC
-6786	mol	CCCC(CC)CC(C)CC
-6787	mol	CCCC(CC)CC(C)C=C
-6788	mol	CCCC(CC)CCC(C)C
-6789	mol	CCCC(CC)CCCC=C
-6790	mol	CCCC(CCC)(C#C)C#C
-6791	mol	CCCC(CCC)CC(C)C
-6792	mol	CCCC#CC(C(C)C)C#C
-6793	mol	CCCC#CC#CC(C)CC
-6794	mol	CCCC#CC#CC(C)C#C
-6795	mol	CCCC#CC#CC#CC=C
-6796	mol	CCCC#CC#CC#CC#C
-6797	mol	CCCCC=C=CC(C)(C)C
-6798	mol	CCCCC=C=CCC(C)C
-6799	mol	CCCCC=C(C)CC(C)C
-6800	mol	CCCCC=C(CCC)C#C
-6801	mol	CCCCC(=C)C=CCCC
-6802	mol	CCCCC(=CC(C)C)C=C
-6803	mol	CCCCC(=CC)C=CC=C
-6804	mol	CCCCC(=CCCC)C=C
-6805	mol	CCCCC(C=C=C)C=C=C
-6806	mol	CCCCC(C=C)=C=CCC
-6807	mol	CCCCC(C=C)=C(C)C=C
-6808	mol	CCCCC(C(C)(C)C)C=C
-6809	mol	CCCCC(C(C)C=C)C#C
-6810	mol	CCCCC(C(C)C)=CC=C
-6811	mol	CCCCC(C(C)C)C=C=C
-6812	mol	CCCCC(C(C)C)C(C)C
-6813	mol	CCCCC(C(C)C#C)C#C
-6814	mol	CCCCC(C(C)CC)C#C
-6815	mol	CCCCC(C)=C(C)CCC
-6816	mol	CCCCC(C)=C(C#C)C=C
-6817	mol	CCCCC(C)=C(CC)C=C
-6818	mol	CCCCC(C)=CCC(C)C
-6819	mol	CCCCC(C)(C(C)C)C=C
-6820	mol	CCCCC(C)(C)CCCC
-6821	mol	CCCCC(C)(C)C(C)CC
-6822	mol	CCCCC(C)(CC)CCC
-6823	mol	CCCCC(C)C(C=C)C=C
-6824	mol	CCCCC(C)C(C)CCC
-6825	mol	CCCCC(C)C(C)C(C)C
-6826	mol	CCCCC(C)C(C#C)C#C
-6827	mol	CCCCC(C)C(CC)CC
-6828	mol	CCCCC(C)C(CC)C#C
-6829	mol	CCCCC(C)CC(C)CC
-6830	mol	CCCCC(C)CCC=C=C
-6831	mol	CCCCC(C)CCC(C)C
-6832	mol	CCCCC(C#C)=C=CC=C
-6833	mol	CCCCC(C#C)=C(C)C#C
-6834	mol	CCCCC(C#C)C#CC#C
-6835	mol	CCCCC(CC=C)CC=C
-6836	mol	CCCCC(CC(C)C)=CC
-6837	mol	CCCCC(CC(C)C)C=C
-6838	mol	CCCCC(CC(C)C)C#C
-6839	mol	CCCCC(CC)CCCC
-6840	mol	CCCCC(CC)=CCCC
-6841	mol	CCCCC(CC)=C(C)C=C
-6842	mol	CCCCC(CC)(CC)CC
-6843	mol	CCCCC(CC)C(C)CC
-6844	mol	CCCCC(CC)CC(C)C
-6845	mol	CCCCC(CC#C)CC=C
-6846	mol	CCCCC(CCC)CCC
-6847	mol	CCCCC(CCC)=CC=C
-6848	mol	CCCCC(CCC)C(C)C
-6849	mol	CCCCC(CCCC)=CC
-6850	mol	CCCCC(CCCC)C=C
-6851	mol	CCCCC#CC(C)C(C)C
-6852	mol	CCCCC#CC#CCCC
-6853	mol	CCCCCC(C(C)C)C=C
-6854	mol	CCCCCC(C)CCCC
-6855	mol	CCCCCC(C)(C)CCC
-6856	mol	CCCCCC(C)(CC)CC
-6857	mol	CCCCCC(C)C(C)CC
-6858	mol	CCCCCC(C)C(C)(C)C
-6859	mol	CCCCCC(C)CC(C)C
-6860	mol	CCCCCC(CC)CCC
-6861	mol	CCCCCC(CC)C(C)C
-6862	mol	CCCCCC(CC)C#CC
-6863	mol	CCCCCC(CC)CC=C
-6864	mol	CCCCCC(CCC)C#C
-6865	mol	CCCCCCC(C)CCC
-6866	mol	CCCCCCC(C)(C)CC
-6867	mol	CCCCCCC(C)C(C)C
-6868	mol	CCCCCCC(C#C)C#C
-6869	mol	CCCCCCC(CC)CC
-6870	mol	CCCCCCCC(C)CC
-6871	mol	CCCCCCCC(C)(C)C
-6872	mol	CCCCCCCCC(C)C
-6873	mol	CCCC(C)(CC)c(ccc1)cc1C
-6874	mol	CCCCCCCC(CCC1)CC1C
-6875	mol	CCCCCCCC(CCC1)CC1Cl
-6876	mol	CCCCCCCc(ccc1)cc1F
-6877	mol	CCCCCCCC(CCC1)CC1F
-6878	mol	CCCCCCCC(CCC1)CC1N
-6879	mol	CCCCC(CC)C(CCC1)CC1O
-6880	mol	CCCCCCCC(CCC1)CC1O
-6881	mol	CCCCC(CCC)C(CC1)CCC1C
-6882	mol	CCCCCCC(C)C(CC1)CCC1C
-6883	mol	CC(C)C(C)CCCCCc1ccccc1
-6884	mol	CCC(C)C(CC(C)C)Cc1ccccc1
-6885	mol	CCC(CC)(C(C)C)C(C)c1ccccc1
-6886	mol	CCCCC(CC)CCCc1ccccc1
-6887	mol	CCCCC(CCC)CCc1ccccc1
-6888	mol	CCCCC(CCC)C(C)c1ccccc1
-6889	mol	CCCCCC(CCC)Cc1ccccc1
-6890	mol	CCCCCCC(C)(CC)c1ccccc1
-6891	mol	CCCCCCCC(C)Cc1ccccc1
-6892	mol	CCCCCCCC(C)(C)c1ccccc1
-6893	mol	CCCCCCCC(CC)c1ccccc1
-6894	mol	CCCCCCCCCCC1CCCCC1
-6895	mol	CC(C)CCCCCCCC1CCCCC1
-6896	mol	CCCC(C)CCCCCC1CCCCC1
-6897	mol	CCCC(C)CCC(C)CC1CCCCC1
-6898	mol	CCCC(CC)C(C(C)C)C1CCCCC1
-6899	mol	CCCC(CC)C(C)(C)CC1CCCCC1
-6900	mol	CCCC(CC)C(CCC)C1CCCCC1
-6901	mol	CCCC(CC)CC(C)CC1CCCCC1
-6902	mol	CCCCC(C)C(C(C)C)C1CCCCC1
-6903	mol	CCCCC(C)C(CC)CC1CCCCC1
-6904	mol	CCCCC(C)CC(C)CC1CCCCC1
-6905	mol	CCCCCC(CC)CCC1CCCCC1
-6906	mol	CCCCCCC(C(C)C)C1CCCCC1
-6907	mol	CCCCCCC(CC)CC1CCCCC1
-6908	mol	CCCCCCC(CCC)C1CCCCC1
-6909	mol	CCCCCCCC(C)CC1CCCCC1
-6910	mol	CCCCCCCC(CC)C1CCCCC1
-6911	mol	CCCC(CC)C(CCCC1N)C1N
-6912	mol	CCCCc(cc(CC)cc1O)c1C
-6913	mol	CCCCCCCCCCCBr
-6914	mol	CCCCCCCCCCCC
-6915	mol	C=CC=CC(C=C)=C(C=C)C=C
-6916	mol	C=CC#CC(C=C=C)=CC=C=C
-6917	mol	C=CC#CC#CC(C=C)=CC=C
-6918	mol	CC(C)(C)CC(CC)(C#C)C#C
-6919	mol	CC(C)(C)CCCCC(C)(C)C
-6920	mol	CC(C)C=CC(CC)=C(C)C=C
-6921	mol	CC(C)C(C=C=C)=CC#CC=C
-6922	mol	CC(C)CC=C=CC#CC=C=C
-6923	mol	CC(C)CC=C(C=C=C)C=C=C
-6924	mol	CC(C)CC=C(C(C)CC)C=C
-6925	mol	CC(C)CC=C(CC(C)C)C=C
-6926	mol	CC(C)CC=C(CC(C)C)C#C
-6927	mol	CC(C)CC=C(CC)CC(C)C
-6928	mol	CC(C)CC=CC=CC(C)(C)C
-6929	mol	CC(C)CC=CC=CCC(C)C
-6930	mol	CC(C)CC=CC(C(C)C)C=C
-6931	mol	CC(C)CC=CC(CC(C)C)=C
-6932	mol	CC(C)CC=CC#CC#CC=C
-6933	mol	CC(C)CC(=C)C=CC(C)(C)C
-6934	mol	CC(C)CC(=CC=C)C=CC#C
-6935	mol	CC(C)CC(C(C(C)C)C=C)=C
-6936	mol	CC(C)CC(C(C)C)=CC(C)C
-6937	mol	CC(C)CC(C(C)C)C#CC#C
-6938	mol	CC(C)CC(C)(CC(C)C)C=C
-6939	mol	CC(C)CC(C)(CC)C(C)(C)C
-6940	mol	CC(C)CC(C)C(C=C)=CC=C
-6941	mol	CC(C)CC(C)C(CC)C(C)C
-6942	mol	CC(C)CC(C)CC(CC)C=C
-6943	mol	CC(C)CC(C#C)=C(C#C)C=C
-6944	mol	CC(C)CC(C#C)C(C#C)C=C
-6945	mol	CC(C)CC(CC(C)C)=CC=C
-6946	mol	CC(C)CC(CC(C)C)C(C)C
-6947	mol	CC(C)CC(CC)(CC)C(C)C
-6948	mol	CC(C)CC(CCC=C)C=C=C
-6949	mol	CC(C)CC#CC=CCC(C)C
-6950	mol	CC(C)CC#CC(C(C)C)C#C
-6951	mol	CC(C)CC#CC#CC#CC=C
-6952	mol	CC(C)CCC(C)(C)CC(C)C
-6953	mol	CC(C)CCC(C)(CC#C)C#C
-6954	mol	CC(C)CCC(C)C(C#C)C#C
-6955	mol	CC(C)CCC(C)C(CC)C=C
-6956	mol	CC(C)CCC(C)CCC(C)C
-6957	mol	CC(C)CCC(C#C)(C#C)C#C
-6958	mol	CC(C)CCC(CC=C)CC=C
-6959	mol	CC(C)CCCC(CC=C)C#C
-6960	mol	CC(C)CCCCCCC(C)C
-6961	mol	CC(CC=C)(C(C=C)C=C)C=C
-6962	mol	CC(CC=C)CC#CC(C)C#C
-6963	mol	CCC(C)(C(C)(C#C)C#C)C=C
-6964	mol	CCC(C)C=C(C=C=C)C=C=C
-6965	mol	CCC(C)C=CC=C(CC)C=C
-6966	mol	CCC(C)C(=CC(C)(C)C)C=C
-6967	mol	CCC(C)C(C=C)=C(C#C)C=C
-6968	mol	CCC(C)C(C=C)=C(CC)C=C
-6969	mol	CCC(C)C(C(C)(C)C=C)C=C
-6970	mol	CCC(C)C(C(C)C)C(C)CC
-6971	mol	CCC(C)C(C(C#C)C#C)C#C
-6972	mol	CCC(C)C(C)=C(C)CC(C)C
-6973	mol	CCC(C)C(C)(CC)C(C)CC
-6974	mol	CCC(C)C(C)C(C)=C(C)C=C
-6975	mol	CCC(C)C(C)CCCCC=C
-6976	mol	CCC(C)C(C#C)=C(C#C)C#C
-6977	mol	CCC(C)C(CC(C)C)C(C)C
-6978	mol	CCC(C)C(CC)C(C)(C)CC
-6979	mol	CCC(C)C(CC)C(CC)CC
-6980	mol	CCC(C)C(CC)C(CC)C=C
-6981	mol	CCC(C)C#CC#CC#CC=C
-6982	mol	CCC(C)CC(C)(C)C(C)CC
-6983	mol	CCC(C)CC(C)C(C#C)C#C
-6984	mol	CCC(C)CC(C)CC(C)CC
-6985	mol	CCC(C)CC(C)CCC(C)C
-6986	mol	CCC(C)CC(CC(C)C)C#C
-6987	mol	CCC(C)CC(CC)(C#C)C#C
-6988	mol	CCC(C)CC(CC)C(C)CC
-6989	mol	CCC(C)CC(CC)C(C)(C)C
-6990	mol	CCC(C)CC(CC)CC(C)C
-6991	mol	CCC(C)CCC(C)C(C)CC
-6992	mol	CCC(C)CCCC(CC)C=C
-6993	mol	CCC(C)CCCCCC(C)C
-6994	mol	CCC(CC(C)(C)C)C(C)(C)C
-6995	mol	CCC(CC(C)C)CC(C)(C)C
-6996	mol	CCC(CC)(C(C)C)C(C)(C)C
-6997	mol	CCC(CC)C(C(C)C)C(C)C
-6998	mol	CCC(CC)C(C)(C)CC(C)C
-6999	mol	CCC(CC)C(CC)(CC)CC
-7000	mol	CCC(CC)C(CC)CC(C)C
-7001	mol	CCC(CC)CC(C)CC(C)C
-7002	mol	CCC(CC)CCC(CC)CC
-7003	mol	CCC(CC)CCCCC(C)C
-7004	mol	CCCC=CC(=CCCC)C=C
-7005	mol	CCCC(=CC)C=C(CC)C#C
-7006	mol	CCCC(C=C=C)=C=CC=C=C
-7007	mol	CCCC(C=C)=C(CCC)C=C
-7008	mol	CCCC(C=C)C#CC#CC=C
-7009	mol	CCCC(C(C)C)C(CC)CC
-7010	mol	CCCC(C(C)C)CC(C)CC
-7011	mol	CCCC(C(C)CC)(C=C)C=C
-7012	mol	CCCC(C)(C(C)C)C(C)CC
-7013	mol	CCCC(C)(CCC)CC(C)C
-7014	mol	CCCC(C)C(C)C(CC)CC
-7015	mol	CCCC(C)C(CC)C(C)CC
-7016	mol	CCCC(C)C(CCC)CCC
-7017	mol	CCCC(C)C(CCC)C(C)C
-7018	mol	CCCC(C)CC(C)CC(C)C
-7019	mol	CCCC(C)CC(CC)CCC
-7020	mol	CCCC(C)CCC(CC)CC
-7021	mol	CCCC(C)CCCCC(C)C
-7022	mol	CCCC(C#C)=C(CCC)C#C
-7023	mol	CCCC(CC(C)C)C(C)CC
-7024	mol	CCCC(CC(C)C)CC(C)C
-7025	mol	CCCC(CC(C)CC=C)C=C
-7026	mol	CCCC(CC)=C(C(C)C)C=C
-7027	mol	CCCC(CC)(CC(C)C)C=C
-7028	mol	CCCC(CC)(CC)CC(C)C
-7029	mol	CCCC(CC)(CCC)CCC
-7030	mol	CCCC(CC)(CCC)C(C)C
-7031	mol	CCCC(CC)C(C)(CC)CC
-7032	mol	CCCC(CC)C(C)C(C)CC
-7033	mol	CCCC(CC)C(C)CC(C)C
-7034	mol	CCCC(CC)C(CC)CCC
-7035	mol	CCCC(CC)C(CC)C(C)C
-7036	mol	CCCC(CC)CC(CC)CC
-7037	mol	CCCC(CC)CCC(C)CC
-7038	mol	CCCC(CC)CCC(C)(C)C
-7039	mol	CCCC(CC)CCCC(C)C
-7040	mol	CCCC(CCC)(CCC)C=C
-7041	mol	CCCC(CCC)C(C)C(C)C
-7042	mol	CCCC(CCC)C(CC)CC
-7043	mol	CCCC(CCC)CC(C)CC
-7044	mol	CCCCC=C=C(CC)C=C=C
-7045	mol	CCCCC=C=CC#CC=C=C
-7046	mol	CCCCC=C(C=C)C=CC=C
-7047	mol	CCCCC=C(C(C)CC)C#C
-7048	mol	CCCCC=C(CC(C)C)C=C
-7049	mol	CCCCC=C(CC)CCCC
-7050	mol	CCCCC=C(CC)C(C)(C)C
-7051	mol	CCCCC=C(CCCC)C=C
-7052	mol	CCCCC=CC=CCC(C)C
-7053	mol	CCCCC=CC(C=C)=CC=C
-7054	mol	CCCCC=CC#CCC(C)C
-7055	mol	CCCCC(=CC(C)CC)C=C
-7056	mol	CCCCC(=CCC(C)C)C#C
-7057	mol	CCCCC(C=C=C)=C=CC#C
-7058	mol	CCCCC(C=C)=C(C=C)C=C
-7059	mol	CCCCC(C=C)=C(C#C)C=C
-7060	mol	CCCCC(C=C)=CC=CC=C
-7061	mol	CCCCC(C(C)C)C(C)CC
-7062	mol	CCCCC(C(C)C)C#CC=C
-7063	mol	CCCCC(C)(C=C=C)C=C=C
-7064	mol	CCCCC(C)(C(C)C)C=C=C
-7065	mol	CCCCC(C)(C)C(C)(C)CC
-7066	mol	CCCCC(C)(C)C(C)C(C)C
-7067	mol	CCCCC(C)(C)CCC(C)C
-7068	mol	CCCCC(C)(CC)CCCC
-7069	mol	CCCCC(C)(CC)C(C)CC
-7070	mol	CCCCC(C)(CC)CC(C)C
-7071	mol	CCCCC(C)(CCC)CCC
-7072	mol	CCCCC(C)C(C)(C)CCC
-7073	mol	CCCCC(C)C(C)CC(C)C
-7074	mol	CCCCC(C)C(CC)CCC
-7075	mol	CCCCC(C)C(CC)C(C)C
-7076	mol	CCCCC(C)CC(C)CCC
-7077	mol	CCCCC(C)CC(CC)CC
-7078	mol	CCCCC(C)CCCC(C)C
-7079	mol	CCCCC(CC=C)(C#C)C#C
-7080	mol	CCCCC(CC(C)C)=CCC
-7081	mol	CCCCC(CC(C)C)=CC=C
-7082	mol	CCCCC(CC(C)C)C(C)C
-7083	mol	CCCCC(CC(C)C)CC=C
-7084	mol	CCCCC(CC(C)C)CC#C
-7085	mol	CCCCC(CC)(CC)CCC
-7086	mol	CCCCC(CC)(CC)C(C)C
-7087	mol	CCCCC(CC)(CCC)C=C
-7088	mol	CCCCC(CC)C(C)CCC
-7089	mol	CCCCC(CC)C(C)CC=C
-7090	mol	CCCCC(CC)C(CC)CC
-7091	mol	CCCCC(CC)CC(C)CC
-7092	mol	CCCCC(CC)CCC(C)C
-7093	mol	CCCCC(CCC=C=C)C#C
-7094	mol	CCCCC(CCC=C)CC#C
-7095	mol	CCCCC(CCC)CCCC
-7096	mol	CCCCC(CCC)=CCCC
-7097	mol	CCCCC(CCC)(C=C)C=C
-7098	mol	CCCCC(CCC)C(C)CC
-7099	mol	CCCCC(CCC)C(C)(C)C
-7100	mol	CCCCC(CCC)CC(C)C
-7101	mol	CCCCC(CCCC)=CCC
-7102	mol	CCCCC(CCCC)C(C)C
-7103	mol	CCCCC(CCCC#C)C=C
-7104	mol	CCCCC#CC=CCCCC
-7105	mol	CCCCCC(C)CCCCC
-7106	mol	CCCCCC(C)(C=C)C=C=C
-7107	mol	CCCCCC(C)(C)CCCC
-7108	mol	CCCCCC(C)(C)C(C)CC
-7109	mol	CCCCCC(C)(C)CC(C)C
-7110	mol	CCCCCC(C)(CC)CCC
-7111	mol	CCCCCC(C)(CC)C(C)C
-7112	mol	CCCCCC(C)C(C)CCC
-7113	mol	CCCCCC(C)C(C)C(C)C
-7114	mol	CCCCCC(C)C(C#C)C#C
-7115	mol	CCCCCC(C)CC(C)CC
-7116	mol	CCCCCC(C)CCC(C)C
-7117	mol	CCCCCC(CC)CCCC
-7118	mol	CCCCCC(CC)C(C)CC
-7119	mol	CCCCCC(CC)CC(C)C
-7120	mol	CCCCCC(CCC)CCC
-7121	mol	CCCCCC(CCC)C(C)C
-7122	mol	CCCCCCC(C)CCCC
-7123	mol	CCCCCCC(C)(C)CCC
-7124	mol	CCCCCCC(C)C(C)CC
-7125	mol	CCCCCCC(C)C(C)(C)C
-7126	mol	CCCCCCC(C)CC(C)C
-7127	mol	CCCCCCC(CC)CCC
-7128	mol	CCCCCCC(CC)C(C)C
-7129	mol	CCCCCCCC(C)CCC
-7130	mol	CCCCCCCC(C)C(C)C
-7131	mol	CCCCCCCC(CC)CC
-7132	mol	CCCCCCCCC(C)CC
-7133	mol	CCCCCCCCC(C)(C)C
-7134	mol	CCCCCCCCCC(C)C
-7135	mol	CCCCCCCCc(ccc1)cc1C
-7136	mol	CC(C)C(C)(C)c(cc(C)cc1C)c1C=O
-7137	mol	CC(C)CC(C)c(cc(C)cc1C)c1C=O
-7138	mol	CCCC(C)(C)c(cc(C)cc1C)c1C=O
-7139	mol	CCCCC(C)c(cc(C)cc1C)c1C=O
-7140	mol	CCCCCC(CC)C(CCC1)CC1O
-7141	mol	CC(C)CCCC(C(C)CC)C1CCCCC1
-7142	mol	CC(C)CC(C)c(cc(C)cc1CCCC=O)c1C=O
-7143	mol	CCCCCCCCCCCCC
-7144	mol	CC(C)CC(CC)(CC)CC(C)C
-7145	mol	CC(C)CCCCC(CC)C(C)C
-7146	mol	CC(C)CCCCCC(C)C(C)C
-7147	mol	CC(C)CCCCCCCC(C)C
-7148	mol	CCC(C(C)C)CCCC(C)(C)C
-7149	mol	CCC(C)CC(CC)(CC)C(C)C
-7150	mol	CCC(C)CCC(CC)C(C)CC
-7151	mol	CCC(C)CCCC(CC)C(C)C
-7152	mol	CCC(CC)C(C)(CC)CC(C)C
-7153	mol	CCC(CC)C(C)C(C)CC(C)C
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-7173	mol	CCCC(CC)CC(CC)CCC
-7174	mol	CCCC(CC)CC(CC)C(C)C
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-7176	mol	CCCC(CC)CCCCC(C)C
-7177	mol	CCCC(CCC(C)C)CC(C)C
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-7181	mol	CCCCC(C)(C)CC(CC)CC
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-7185	mol	CCCCC(C)C(CCC)CCC
-7186	mol	CCCCC(C)C(CCC)C(C)C
-7187	mol	CCCCC(C)CC(C)CCCC
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-7189	mol	CCCCC(C)CC(CC)CCC
-7190	mol	CCCCC(C)CCCCC(C)C
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-7192	mol	CCCCC(CC(C)C)CC(C)C
-7193	mol	CCCCC(CC)(CC)CCCC
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-7195	mol	CCCCC(CC)C(CC)CCC
-7196	mol	CCCCC(CC)CCC(C)CC
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-7199	mol	CCCCC(CCC)C(C)(C)CC
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-7201	mol	CCCCC(CCC)C(CC)CC
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-7203	mol	CCCCC(CCC)CCC(C)C
-7204	mol	CCCCC(CCCC)CCCC
-7205	mol	CCCCC(CCCC)C(C)(C)C
-7206	mol	CCCCC(CCCC)CC(C)C
-7207	mol	CCCCCC(C(C)C)C(C)CC
-7208	mol	CCCCCC(C)(C)CCCCC
-7209	mol	CCCCCC(C)(CC)CCCC
-7210	mol	CCCCCC(C)(CC)CC(C)C
-7211	mol	CCCCCC(C)C(C)CCCC
-7212	mol	CCCCCC(C)C(CC)CCC
-7213	mol	CCCCCC(C)CC(C)CCC
-7214	mol	CCCCCC(C)CCCC(C)C
-7215	mol	CCCCCC(CC)CCCCC
-7216	mol	CCCCCC(CC)(CC)CCC
-7217	mol	CCCCCC(CC)(CC)C(C)C
-7218	mol	CCCCCC(CC)C(CC)CC
-7219	mol	CCCCCC(CC)CCC(C)C
-7220	mol	CCCCCC(CCC)CCCC
-7221	mol	CCCCCC(CCC)CC(C)C
-7222	mol	CCCCCC(CCCC)C(C)C
-7223	mol	CCCCCCC(C(C)C)C(C)C
-7224	mol	CCCCCCC(C)CCCCC
-7225	mol	CCCCCCC(C)(CC)C(C)C
-7226	mol	CCCCCCC(C)C(C)CCC
-7227	mol	CCCCCCC(C)C(CC)CC
-7228	mol	CCCCCCC(C)CCC(C)C
-7229	mol	CCCCCCC(CC)CCCC
-7230	mol	CCCCCCC(CC)CC(C)C
-7231	mol	CCCCCCC(CCC)CCC
-7232	mol	CCCCCCC(CCC)C(C)C
-7233	mol	CCCCCCCC(C)CCCC
-7234	mol	CCCCCCCC(C)(C)C(C)C
-7235	mol	CCCCCCCC(C)(CC)CC
-7236	mol	CCCCCCCC(C)CC(C)C
-7237	mol	CCCCCCCC(CC)CCC
-7238	mol	CCCCCCCC(CC)C(C)C
-7239	mol	CCCCCCCCC(C)CCC
-7240	mol	CCCCCCCCC(C)C(C)C
-7241	mol	CCCCCCCCC(CC)CC
-7242	mol	CCCCCCCCCC(C)CC
-7243	mol	CCCCCCCCCCC(C)C
-7244	mol	CCCC(CC)(C(C)CC)C(C)C1CCCCC1
-7245	mol	CCCCCCC(C)C(CCCC1N)C1N
-7246	mol	CCCC(CC)CC(CCC)CCBr
-7247	mol	CCCCCCCCCCCCCC
-7248	mol	CC(C)CCCCC(CC)C(C)CC
-7249	mol	CC(C)CCCCCC(C)CC(C)C
-7250	mol	CC(C)CCCCCCC(C)C(C)C
-7251	mol	CCC(C)CCC(C)(CC)C(C)CC
-7252	mol	CCC(C)CCC(C)(CC)CC(C)C
-7253	mol	CCC(C)CCCC(CC)C(C)CC
-7254	mol	CCC(CC)C(CC)(CC)CC(C)C
-7255	mol	CCCC(C)C(C(C)CC)C(C)CC
-7256	mol	CCCC(C)C(C)CCC(CC)CC
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-7258	mol	CCCC(C)CCCCC(C)CCC
-7259	mol	CCCC(C)CCCCC(CC)CC
-7260	mol	CCCC(CC)C(C(C)C)C(C)CC
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-7262	mol	CCCC(CC)C(C)(C)CC(C)CC
-7263	mol	CCCC(CC)C(C)(C)CCC(C)C
-7264	mol	CCCC(CC)C(C)(CC)C(C)(C)C
-7265	mol	CCCC(CC)C(C)C(C)CC(C)C
-7266	mol	CCCC(CC)C(C)C(CC)CCC
-7267	mol	CCCC(CC)C(C)CCCC(C)C
-7268	mol	CCCC(CC)C(CC)(CC)C(C)C
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-7270	mol	CCCC(CC)C(CC)CC(C)CC
-7271	mol	CCCC(CC)C(CCC)C(C)CC
-7272	mol	CCCC(CC)CC(C)(C)C(C)CC
-7273	mol	CCCC(CC)CC(C)(C)CC(C)C
-7274	mol	CCCC(CC)CC(C)CC(C)CC
-7275	mol	CCCC(CC)CC(C)CCC(C)C
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-7278	mol	CCCC(CC)CCCC(CC)CC
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-7280	mol	CCCC(CCC(C)C)CC(C)CC
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-7282	mol	CCCC(CCC)C(C)CCC(C)C
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-7284	mol	CCCC(CCC)CCC(CC)CC
-7285	mol	CCCC(CCC)CCCCC(C)C
-7286	mol	CCCC(CCCC(C)C)CC(C)C
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-7289	mol	CCCCC(C)(CC)C(CC)CCC
-7290	mol	CCCCC(C)C(C(C)C)C(C)CC
-7291	mol	CCCCC(C)C(C)(C)C(CC)CC
-7292	mol	CCCCC(C)C(C)C(CC)CCC
-7293	mol	CCCCC(C)C(CC(C)C)C(C)C
-7294	mol	CCCCC(C)C(CC)C(CC)CC
-7295	mol	CCCCC(C)C(CCC)CCCC
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-7298	mol	CCCCC(C)CC(C)CC(C)CC
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-7300	mol	CCCCC(C)CC(CCC)CCC
-7301	mol	CCCCC(CC)(CCC)CCCC
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-7303	mol	CCCCC(CC)(CCCC)C(C)C
-7304	mol	CCCCC(CC)C(CC)CC(C)C
-7305	mol	CCCCC(CC)CC(C)CC(C)C
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-7307	mol	CCCCC(CC)CCCC(C)CC
-7308	mol	CCCCC(CCC)C(CC)CCC
-7309	mol	CCCCC(CCC)CC(C)CCC
-7310	mol	CCCCC(CCC)CCCC(C)C
-7311	mol	CCCCC(CCCC)C(C)CCC
-7312	mol	CCCCCC(C(C)C)C(CC)CC
-7313	mol	CCCCCC(C)(C)C(CC)CCC
-7314	mol	CCCCCC(C)(CC)CCCCC
-7315	mol	CCCCCC(C)(CCC)CC(C)C
-7316	mol	CCCCCC(C)C(C)CCCCC
-7317	mol	CCCCCC(C)C(C)C(C)CCC
-7318	mol	CCCCCC(C)C(C)C(CC)CC
-7319	mol	CCCCCC(C)C(C)CC(C)CC
-7320	mol	CCCCCC(C)CC(C)CCCC
-7321	mol	CCCCCC(C)CC(CC)CCC
-7322	mol	CCCCCC(CC(C)C)C(C)CC
-7323	mol	CCCCCC(CC(C)C)CC(C)C
-7324	mol	CCCCCC(CC)(CC)CC(C)C
-7325	mol	CCCCCC(CC)C(C)CCCC
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-7327	mol	CCCCCC(CC)CC(CC)CC
-7328	mol	CCCCCC(CC)CCC(C)CC
-7329	mol	CCCCCC(CCC)CCCCC
-7330	mol	CCCCCC(CCC)CC(C)CC
-7331	mol	CCCCCC(CCC)CCC(C)C
-7332	mol	CCCCCC(CCCC)CCCC
-7333	mol	CCCCCC(CCCCC)C(C)C
-7334	mol	CCCCCCC(C(C)C)C(C)CC
-7335	mol	CCCCCCC(C)CCCCCC
-7336	mol	CCCCCCC(C)(C)CCCCC
-7337	mol	CCCCCCC(C)(C)C(C)CCC
-7338	mol	CCCCCCC(C)(C)CC(C)CC
-7339	mol	CCCCCCC(C)C(C)CCCC
-7340	mol	CCCCCCC(C)C(CC)CCC
-7341	mol	CCCCCCC(C)CC(CC)CC
-7342	mol	CCCCCCC(C)CCCC(C)C
-7343	mol	CCCCCCC(CC(C)C)C(C)C
-7344	mol	CCCCCCC(CC)CCCCC
-7345	mol	CCCCCCC(CC)C(C)CCC
-7346	mol	CCCCCCC(CC)C(CC)CC
-7347	mol	CCCCCCC(CC)CCC(C)C
-7348	mol	CCCCCCC(CCC)CCCC
-7349	mol	CCCCCCC(CCC)C(C)CC
-7350	mol	CCCCCCC(CCCC)C(C)C
-7351	mol	CCCCCCCC(C)CCCCC
-7352	mol	CCCCCCCC(C)(C)CCCC
-7353	mol	CCCCCCCC(C)(C)C(C)CC
-7354	mol	CCCCCCCC(C)(CC)CCC
-7355	mol	CCCCCCCC(C)CC(C)CC
-7356	mol	CCCCCCCC(C)CC(C)(C)C
-7357	mol	CCCCCCCC(C)CCC(C)C
-7358	mol	CCCCCCCC(CC)CCCC
-7359	mol	CCCCCCCC(CC)C(C)CC
-7360	mol	CCCCCCCC(CC)CC(C)C
-7361	mol	CCCCCCCC(CCC)CCC
-7362	mol	CCCCCCCC(CCC)C(C)C
-7363	mol	CCCCCCCCC(C)CCCC
-7364	mol	CCCCCCCCC(C)(C)CCC
-7365	mol	CCCCCCCCC(C)CC(C)C
-7366	mol	CCCCCCCCC(CC)CCC
-7367	mol	CCCCCCCCCC(C)CCC
-7368	mol	CCCCCCCCCC(CC)CC
-7369	mol	CCCCCCCCCCC(C)CC
-7370	mol	CCCCCCCCCCCC(C)C
-7371	mol	CCCCCCCC(CCC)C(C)CBr
-7372	mol	CCCCCCCCCCCCCCC
-7373	mol	CCC(C)C(C)CCC(CC)C(C)CC
-7374	mol	CCC(CC(C)C)CCC(C)CC(C)C
-7375	mol	CCC(CC)C(C)CCC(CC)C(C)C
-7376	mol	CCCC(C(C)CC)C(C)CCC(C)C
-7377	mol	CCCC(C(C)CC)C(CC)CC(C)C
-7378	mol	CCCC(C)C(C)CCC(CC)C(C)C
-7379	mol	CCCC(C)C(CC)C(CC)CC(C)C
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-7381	mol	CCCC(C)C(CCC)CC(CC)CC
-7382	mol	CCCC(C)C(CCC)CCCC(C)C
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-7385	mol	CCCC(C)CCC(CCC)CC(C)C
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-7388	mol	CCCC(CC)C(C)(C)C(CC)CCC
-7389	mol	CCCC(CC)C(C)(CC)C(CC)CC
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-7391	mol	CCCC(CC)C(CC)(C(C)C)C(C)C
-7392	mol	CCCC(CC)C(CC)C(CC)CCC
-7393	mol	CCCC(CC)C(CCC)C(CC)CC
-7394	mol	CCCC(CC)C(CCC)CCC(C)C
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-7396	mol	CCCC(CC)CC(C)CCC(C)CC
-7397	mol	CCCC(CC)CC(CC)C(C)C(C)C
-7398	mol	CCCC(CC)CC(CCC)CC(C)C
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-7400	mol	CCCC(CCC)C(CC)C(CC)CC
-7401	mol	CCCC(CCC)CCCC(CC)CC
-7402	mol	CCCC(CCC)CCCCCC(C)C
-7403	mol	CCCC(CCCC(C)CC)C(C)CC
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-7405	mol	CCCC(CCCCC(C)C)C(C)(C)C
-7406	mol	CCCC(CCCCCC(C)C)C(C)C
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-7408	mol	CCCCC(C)C(CCC)C(CC)CC
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-7410	mol	CCCCC(C)CC(C)CC(CC)CC
-7411	mol	CCCCC(C)CC(CCC)CCCC
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-7413	mol	CCCCC(CC(C)C)C(CC)CCC
-7414	mol	CCCCC(CC(C)C)CC(C)CCC
-7415	mol	CCCCC(CC)C(CCC)CCCC
-7416	mol	CCCCC(CC)CC(CC)CCCC
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-7418	mol	CCCCC(CC)CCCCCC(C)C
-7419	mol	CCCCC(CCC(C)C)C(C)CCC
-7420	mol	CCCCC(CCC)C(C)(C)CC(C)C
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-7423	mol	CCCCC(CCC)C(C)CC(C)(C)C
-7424	mol	CCCCC(CCC)C(C)CCC(C)C
-7425	mol	CCCCC(CCC)C(CC)CC(C)C
-7426	mol	CCCCC(CCC)C(CCC)CCC
-7427	mol	CCCCC(CCC)C(CCC)C(C)C
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-7429	mol	CCCCC(CCC)CCC(C)CCC
-7430	mol	CCCCC(CCC)CCCC(C)CC
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-7432	mol	CCCCCC(C(C)C)C(C)CCCC
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-7434	mol	CCCCCC(C)(C)CC(CC)CCC
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-7436	mol	CCCCCC(C)(CCC)CCCCC
-7437	mol	CCCCCC(C)(CCC)CCC(C)C
-7438	mol	CCCCCC(C)(CCCC)CC(C)C
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-7440	mol	CCCCCC(C)C(CC(C)C)C(C)C
-7441	mol	CCCCCC(C)C(CC)CCCCC
-7442	mol	CCCCCC(C)C(CCC)CCCC
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-7444	mol	CCCCCC(C)CCCCCC(C)C
-7445	mol	CCCCCC(CC)(CC)CCCCC
-7446	mol	CCCCCC(CC)(CCC)CC(C)C
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-7449	mol	CCCCCC(CC)C(C)CCC(C)C
-7450	mol	CCCCCC(CC)C(CC)CCCC
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-7452	mol	CCCCCC(CC)CC(C)CCCC
-7453	mol	CCCCCC(CC)CC(CC)CCC
-7454	mol	CCCCCC(CCC(C)C)CC(C)C
-7455	mol	CCCCCC(CCC)C(C)CC(C)C
-7456	mol	CCCCCC(CCC)C(CC)CCC
-7457	mol	CCCCCC(CCCCC)CC(C)C
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-7459	mol	CCCCCCC(C)(CC)CCCCC
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-7462	mol	CCCCCCC(C)C(C)CCC(C)C
-7463	mol	CCCCCCC(C)C(CC)CCCC
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-7465	mol	CCCCCCC(C)CC(C)CCCC
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-7467	mol	CCCCCCC(C)CCCCC(C)C
-7468	mol	CCCCCCC(CC(C)C)C(C)CC
-7469	mol	CCCCCCC(CC(C)C)C(C)(C)C
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-7471	mol	CCCCCCC(CC)CCCCCC
-7472	mol	CCCCCCC(CC)(CC)CC(C)C
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-7474	mol	CCCCCCC(CC)CCC(C)CC
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-7476	mol	CCCCCCC(CCCC)CC(C)C
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-7478	mol	CCCCCCCC(C)CCCCCC
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-7481	mol	CCCCCCCC(C)CC(C)CCC
-7482	mol	CCCCCCCC(C)CC(CC)CC
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-7484	mol	CCCCCCCC(CC)C(CC)CC
-7485	mol	CCCCCCCC(CC)CC(C)CC
-7486	mol	CCCCCCCC(CCC)CCCC
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-7488	mol	CCCCCCCC(CCCC)C(C)C
-7489	mol	CCCCCCCCC(C)CCCCC
-7490	mol	CCCCCCCCC(C)(C)CCCC
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-7492	mol	CCCCCCCCC(C)(CC)CCC
-7493	mol	CCCCCCCCC(C)CC(C)CC
-7494	mol	CCCCCCCCC(C)CCC(C)C
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-7499	mol	CCCCCCCCCC(C)CCCC
-7500	mol	CCCCCCCCCC(C)CC(C)C
-7501	mol	CCCCCCCCCC(CC)CCC
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-7507	mol	CC(C)CCC(C)C(C(C)CC)C(C)CC
-7508	mol	CC(C)CCCCC(CC(C)C)CC(C)C
-7509	mol	CC(C)CCCCCCC(C)C(CC)CC
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-7512	mol	CCCC(C)C(CCC)C(C)CCC(C)C
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-7516	mol	CCCC(CC)CC(C)(CCC)CC(C)C
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-7522	mol	CCCCC(C(C)CC)CC(C)CC(C)C
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-7524	mol	CCCCC(C(CC)CC)C(C)CC(C)C
-7525	mol	CCCCC(C)C(C(C)C)C(C)CCCC
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-7527	mol	CCCCC(C)C(C)CCCCCC(C)C
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-7530	mol	CCCCC(C)CC(C)(C)C(CC)CCC
-7531	mol	CCCCC(C)CC(C)CC(C)CCCC
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-7533	mol	CCCCC(C)CCC(CCC)CCCC
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-7535	mol	CCCCC(CC)CCC(CCC)C(C)C
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-7537	mol	CCCCC(CCC)C(CC(C)C)C(C)C
-7538	mol	CCCCC(CCC)C(CCC)CCCC
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-7541	mol	CCCCC(CCC)CCCCCC(C)C
-7542	mol	CCCCC(CCCC)C(C)CC(C)CC
-7543	mol	CCCCC(CCCC)CCCCC(C)C
-7544	mol	CCCCCC(C(C)C)C(CC)CCCC
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-7547	mol	CCCCCC(C)(CCCCC)C(C)CC
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-7550	mol	CCCCCC(C)CCCCCCC(C)C
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-7552	mol	CCCCCC(CC(C)C)CC(CC)CC
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-7558	mol	CCCCCCC(C(C)C)C(C)CCCC
-7559	mol	CCCCCCC(C(C)C)C(C)CC(C)C
-7560	mol	CCCCCCC(C(C)C)C(CC)CCC
-7561	mol	CCCCCCC(C(C)CC)C(CC)CC
-7562	mol	CCCCCCC(C)(CCC)CC(C)CC
-7563	mol	CCCCCCC(C)C(C)CCCCCC
-7564	mol	CCCCCCC(C)C(CC)CCCCC
-7565	mol	CCCCCCC(C)C(CCC)CCCC
-7566	mol	CCCCCCC(C)C(CCCC)C(C)C
-7567	mol	CCCCCCC(C)CC(C)CCCCC
-7568	mol	CCCCCCC(C)CC(CC)CCCC
-7569	mol	CCCCCCC(C)CCC(CC)C(C)C
-7570	mol	CCCCCCC(CC)(CCC)CC(C)C
-7571	mol	CCCCCCC(CC)C(CC)CCCC
-7572	mol	CCCCCCC(CCC)CCCCCC
-7573	mol	CCCCCCC(CCC)C(CC)CCC
-7574	mol	CCCCCCC(CCCC)CCCCC
-7575	mol	CCCCCCC(CCCCCC)C(C)C
-7576	mol	CCCCCCCC(C)CCCCCCC
-7577	mol	CCCCCCCC(C)(C)CCCCCC
-7578	mol	CCCCCCCC(C)(C)C(C)CCCC
-7579	mol	CCCCCCCC(C)C(C)CCCCC
-7580	mol	CCCCCCCC(C)C(C)CC(C)CC
-7581	mol	CCCCCCCC(C)CC(C)CCCC
-7582	mol	CCCCCCCC(C)CC(CC)CCC
-7583	mol	CCCCCCCC(CCC)CCCCC
-7584	mol	CCCCCCCC(CCCC)CC(C)C
-7585	mol	CCCCCCCC(CCCCC)C(C)C
-7586	mol	CCCCCCCCC(C(C)C)C(C)CC
-7587	mol	CCCCCCCCC(C)CCCCCC
-7588	mol	CCCCCCCCC(C)(C)CCCCC
-7589	mol	CCCCCCCCC(C)CC(CC)CC
-7590	mol	CCCCCCCCC(CC)CCCCC
-7591	mol	CCCCCCCCC(CC)C(CC)CC
-7592	mol	CCCCCCCCC(CC)CCC(C)C
-7593	mol	CCCCCCCCC(CCC)CCCC
-7594	mol	CCCCCCCCC(CCC)C(C)CC
-7595	mol	CCCCCCCCC(CCCC)C(C)C
-7596	mol	CCCCCCCCCC(C)CCCCC
-7597	mol	CCCCCCCCCCC(C)CCCC
-7598	mol	CCCCCCCCCCC(CC)CCC
-7599	mol	CCCCCCCCCCCCC(C)CC
-7600	mol	CCCCC(CCC)C(CCC)C(C)Cl
-7601	mol	CCCCCC(CC)C(C(C)C)C(C)CN
-7602	mol	CCCCCC(CC)C(CCC)CCCN
-7603	mol	CCCCCCCCC(CC)CCCCN
-7604	mol	CCCCCCCCC(CCC)CCCN
-7605	mol	CCCC(CC)C(CCC)CCC(C)CO
-7606	mol	CCCCCC(C)C(CC(C)C)C(C)CO
-7607	mol	CCCCCCC(C(C)C)(C(C)CC)C=O
-7608	mol	CCCCCCC(CCCCCC)CC=O
-7609	mol	CCCCCCCCC(CCC)CCCO
-7610	mol	CCCCCCCCC(CCC)C(C)CO
-7611	mol	CCCCCCCCC(CCCCC)C=O
-7612	mol	CCCCCC(CCCCC)C(C)CN
-7613	mol	CCC(C)CCC(C)C(CC)(CC)C=O
-7614	mol	CCCC(C(CC)CC)C(CCC)C=O
-7615	mol	CCCC(C)C(C(C)CC(C)CC)C=O
-7616	mol	CCCC(C)CC(C(CC)CCC)C=O
-7617	mol	CCCC(CC)C(C(CCC)CCC)=O
-7618	mol	CCCC(CC)C(C)C(C(C)C)CC=O
-7619	mol	CCCC(CC)C(CCC)(C(C)C)C=O
-7620	mol	CCCC(CC)CC(CC)CC(C)CO
-7621	mol	CCCCC(CC)CCC(C)C(C)C=O
-7622	mol	CCCCCC(C(C)CCC(C)C)C=O
-7623	mol	CCCCCC(C)(CC(C)C)C(C)C=O
-7624	mol	CCCCCC(C)C(CCCCC)C=O
-7625	mol	CCCCCCC(C(C)C)(C(C)C)C=O
-7626	mol	CCCCCCC(C(C)C)C(C)CC=O
-7627	mol	CCCCCCC(C(CC)CCC)C=O
-7628	mol	CCCCCCC(C)C(CCCC)C=O
-7629	mol	CCCCCCCC(CC(C)C)CC=O
-7630	mol	CCCCCCCCCCCC(C)C=O
-7631	mol	CCCCCCCCCCCCCC=O
-7632	mol	CCCCCC(C)C(CCCC)CC(O)C
-7633	mol	CCCCCCCCC(CCCC)C(O)C
-7634	mol	CCCCCCCC(C(CC)CC)C(=O)N
-7635	mol	CCCCCCCC(CCCCC)C(=O)N
-7636	mol	CCCCC(C)CCCCC(CC)C(O)=O
-7637	mol	CCCCCCCC(C)(CC)CCC(O)=O
-7638	mol	CCCCCCCCC(CC)C(C)C(O)=O
-7639	mol	CCCCCCC(C(C)C)C(C)CN
-7640	mol	CCCCCCC(C)C(CC)CCN
-7641	mol	CCCCCCCC(C)CCCCN
-7642	mol	CCCCCCCCC(CC)CCN
-7643	mol	CCCC(CC)C(CC)C(CC)C(N)C
-7644	mol	CCCCC(CCC)C(C)CCC(N)C
-7645	mol	CCCCCC(C)(CCCCC)C(N)C
-7646	mol	CCCCCC(CCCC)CCC(N)C
-7647	mol	CCCCCCC(CC)C(CC)C(N)C
-7648	mol	CCCCCCCCCCCCC(N)C
-7649	mol	CCCCCC(C)C(CC)CCC(N)CC
-7650	mol	CCCCCC(C)CCCCCC(N)CC
-7651	mol	CCCCCCCC(CCCC)C(N)CC
-7652	mol	CCCCCCCCCCCCC(N)CC
-7653	mol	CCCC(CC)CC(C)(CC(C)C)NC=O
-7654	mol	CCCC(CCC)C(CC)CCCNC=O
-7655	mol	CC(C)C(C)CC(CC)C(CCC)=O
-7656	mol	CC(C)CCC(C)C(C(C)CC)C=O
-7657	mol	CC(C)CCCC(CC)C(CCC)=O
-7658	mol	CCC(C)C(CC(C)C)C(CCC)=O
-7659	mol	CCC(C)CCC(C)C(C)(CC)C=O
-7660	mol	CCC(CC)C(C(C)C)C(CCC)=O
-7661	mol	CCCC(C(C)C(C)C)C(CCC)=O
-7662	mol	CCCC(C(C)C)C(C)C(CCC)=O
-7663	mol	CCCC(C(C)C)CCC(CCC)=O
-7664	mol	CCCC(C(CC)C(CC)C(C)C)=O
-7665	mol	CCCC(C)C(CCC)C(CCC)=O
-7666	mol	CCCC(C)CC(C(CC)CCC)=O
-7667	mol	CCCC(C)CC(CC)C(CCC)=O
-7668	mol	CCCC(CC(C)C)C(CCC)C=O
-7669	mol	CCCC(CC(C)C)CC(CC)C=O
-7670	mol	CCCC(CC)(C(C)C)C(CCC)=O
-7671	mol	CCCC(CC)(CCC)C(CCC)=O
-7672	mol	CCCC(CC)C(C(CC)C(C)C)=O
-7673	mol	CCCC(CC)C(C(CC)CCC)=O
-7674	mol	CCCC(CC)C(CC(C)C(C)C)=O
-7675	mol	CCCC(CC)C(CC)C(C(C)C)=O
-7676	mol	CCCC(CC)C(CC)C(CCC)=O
-7677	mol	CCCC(CC)C(CCCC(C)C)=O
-7678	mol	CCCC(CC)CC(CC(C)C)C=O
-7679	mol	CCCC(CCC(C)C)C(CCC)=O
-7680	mol	CCCCC(C)(C(C)C)C(CCC)=O
-7681	mol	CCCCC(C)CCC(CCCC)=O
-7682	mol	CCCCC(CC(C)C)C(CCC)=O
-7683	mol	CCCCC(CCC)C(CC(C)C)=O
-7684	mol	CCCCC(CCC)CC(C)CC=O
-7685	mol	CCCCC(CCC)CCC(C)C=O
-7686	mol	CCCCCC(C)C(C(C)C)CC=O
-7687	mol	CCCCCC(CC)(CCCC)C=O
-7688	mol	CCCCCC(CC)C(CCCC)=O
-7689	mol	CCCCCC(CCC)C(C)CC=O
-7690	mol	CCCCCC(CCC)C(CCC)=O
-7691	mol	CCCCCCC(C(CC)CCC)=O
-7692	mol	CCCCCCC(C)C(CCC)C=O
-7693	mol	CCCCCCC(C)CC(CC)C=O
-7694	mol	CCCCCCC(CC(C)(C)C)C=O
-7695	mol	CCCCCCC(CC)C(CCC)=O
-7696	mol	CCCCCCC(CCC(C)C)C=O
-7697	mol	CCCCCCC(CCCC)CC=O
-7698	mol	CCCCCCCC(CCCCC)=O
-7699	mol	CCCCCCCCCC(C)CC=O
-7700	mol	CCCC(CC)CC(CC)C(C)C(O)C
-7701	mol	CCC(CC)CCCCCC(CC)OC=O
-7702	mol	CCCC(C)C(CCC)(C(C)CC)OC=O
-7703	mol	CCCC(CC)C(C(C)CC(C)C)OC=O
-7704	mol	CC(C)CCCCCCCC(C)C(=O)N
-7705	mol	CCC(CC)CCCC(CCC)C(=O)N
-7706	mol	CCCC(CC(C)C)CCC(C)C(=O)N
-7707	mol	CCCC(CCC)(CC(C)C)CC(=O)N
-7708	mol	CCCCC(CC(C)C)C(CC)C(=O)N
-7709	mol	CCCCCCC(C(C)CCC)C(=O)N
-7710	mol	CCCCCCCC(CCCC)C(=O)N
-7711	mol	CCCCCCCCCCCCC(=O)N
-7712	mol	CCCC(CC)C(CC)(CC(C)CO)NN
-7713	mol	CC(C)CCCCCC(C)CCC(O)=O
-7714	mol	CCC(C)C(CC)CCCCCC(O)=O
-7715	mol	CCCCC(C(C)CC)C(CC)C(O)=O
-7716	mol	CCCCC(CCC)CCCCC(O)=O
-7717	mol	CCCCC(CCCC(C)CC)C(O)=O
-7718	mol	CCCCCC(C(C)CCCC)C(O)=O
-7719	mol	CCCCCC(C)(CCCC)CC(O)=O
-7720	mol	CCCCCC(CC)CC(C)CC(O)=O
-7721	mol	CCCCCCCCCC(CC)C(O)=O
-7722	mol	CCCCC(C)C(CC)C(C)CN
-7723	mol	CCCCC(CCC)CC(C)CN
-7724	mol	CCCCCCC(C)CCCCN
-7725	mol	CCCCCCCCCC(C)CN
-7726	mol	CCCC(CC)CC(C)CCC(N)C
-7727	mol	CCCCCC(C)(CC(C)C)C(N)C
-7728	mol	CCCCCC(CCCC)CC(N)C
-7729	mol	CCCCC(CC(C)C)C(C)C(N)C(C)C
-7730	mol	CCCCC(CCC)CCCC(N)CCC
-7731	mol	CCCCCC(C)C(CCC)C(N)CCC
-7732	mol	CCCCCCCCCCCC(N)CCC
-7733	mol	CC(C)(C)CCCCCC(CC)NC=O
-7734	mol	CC(C)CC(C)CCCCC(C)NC=O
-7735	mol	CC(C)CCCCCCC(CC)NC=O
-7736	mol	CCCC(C)C(C(CC)CCC)NC=O
-7737	mol	CCCCC(CCCC)CC(C)NC=O
-7738	mol	CCCCCC(C(C)CC(C)C)NC=O
-7739	mol	CCCCCCC(CC(C)(C)C)NC=O
-7740	mol	CCCCCCC(CCC(C)C)NC=O
-7741	mol	CCCCCCCC(C)C(CC)NC=O
-7742	mol	CCCCCCCC(CC(C)C)NC=O
-7743	mol	CCCCCCCCCC(C)CNC=O
-7744	mol	CCCCCCCCCCCCNC=O
-7745	mol	CCC(C)CC(C(C)CC)CC(N)C(O)=O
-7746	mol	CC(C)CC(CC)(C(C)C)C(C)=O
-7747	mol	CC(C)CCCC(C(C)CC)C=O
-7748	mol	CC(C)CCCC(CC)C(C)C=O
-7749	mol	CC(C)CCCCCCCCC=O
-7750	mol	CCC(C(C)C)C(CC)C(C)C=O
-7751	mol	CCC(C)CCCCCC(C)C=O
-7752	mol	CCC(CC(C)C(C)C)C(C)C=O
-7753	mol	CCC(CC)(C(C)C)C(C(C)C)=O
-7754	mol	CCCC(C(C)C(C)C)C(C)C=O
-7755	mol	CCCC(C(CC)(CC)C(C)C)=O
-7756	mol	CCCC(C)C(CCC)C(C)C=O
-7757	mol	CCCC(C)CC(CC)C(C)C=O
-7758	mol	CCCC(CC)(C(C)C)C(C)C=O
-7759	mol	CCCC(CC)(CCC)C(C)C=O
-7760	mol	CCCC(CC)C(C(C)C)C(C)=O
-7761	mol	CCCC(CC)C(C)(C(C)C)C=O
-7762	mol	CCCC(CC)C(C)(CCC)C=O
-7763	mol	CCCC(CC)C(C)C(C(C)C)=O
-7764	mol	CCCC(CC)C(C)C(CCC)=O
-7765	mol	CCCC(CC)C(CC(C)C)C=O
-7766	mol	CCCC(CC)C(CC)C(C)C=O
-7767	mol	CCCC(CC)C(CC)CC(C)=O
-7768	mol	CCCC(CC)C(CCC)C(C)=O
-7769	mol	CCCC(CC)CC(CC)C(C)=O
-7770	mol	CCCC(CCC(C)C)C(C)C=O
-7771	mol	CCCC(CCCCC(C)C)C=O
-7772	mol	CCCCC(C(CC)CCC)C=O
-7773	mol	CCCCC(C(CCC)CCC)=O
-7774	mol	CCCCC(CC)CC(C(C)C)=O
-7775	mol	CCCCC(CCCC(C)C)C=O
-7776	mol	CCCCCC(C(CC)CCC)=O
-7777	mol	CCCCCC(C)(CCCC)C=O
-7778	mol	CCCCCC(C)CC(C)CC=O
-7779	mol	CCCCCC(CC)C(C(C)C)=O
-7780	mol	CCCCCC(CCC)C(C)C=O
-7781	mol	CCCCCCC(C(C)(C)C)C=O
-7782	mol	CCCCCCC(CC)C(C)C=O
-7783	mol	CCCCCCCCC(CC)C=O
-7784	mol	CCCCCCCCCCCC=O
-7785	mol	CCCC(CCC)CCCCC(O)C
-7786	mol	CCCCCC(CC)CC(C)C(O)CCC
-7787	mol	CCCCCCC(C)CC(C)C(O)CCC
-7788	mol	CCCCCCCCCC(C)C(O)CCC
-7789	mol	CCCC(C(CCC)CC(C)C)OC=O
-7790	mol	CCCC(CC)CC(C)(CCC)OC=O
-7791	mol	CCCC(CCCC(CC)CC)OC=O
-7792	mol	CCCCC(CCC)CC(C)COC=O
-7793	mol	CCCCCC(C(C)CC)C(C=O)C=O
-7794	mol	CCCCCC(C)C(CC(C)C)OC=O
-7795	mol	CCCCC(C(CC)CCC)(C=O)C(O)=O
-7796	mol	CC(C)CCCCC(C)CCC(=O)N
-7797	mol	CC(C)CCCCC(CCC)C(=O)N
-7798	mol	CCCCC(CC)CC(C)CC(=O)N
-7799	mol	CCCCCC(C(C)C)CCC(=O)N
-7800	mol	CCCCCCCC(C(C)C)C(=O)N
-7801	mol	CCCC(C)CCCCC(C)C(O)=O
-7802	mol	CCCC(CC)CC(C(C)C)C(O)=O
-7803	mol	CCCC(CCCCC(C)C)C(O)=O
-7804	mol	CCCCC(C)(CCC)C(C)C(O)=O
-7805	mol	CCCCC(CC)CC(C)CC(O)=O
-7806	mol	CCCCC(CCC)CC(C)C(O)=O
-7807	mol	CCCCCC(CC(C)C)CC(O)=O
-7808	mol	CCCCCC(CCC(C)C)C(O)=O
-7809	mol	CCCCCCC(CCCC)C(O)=O
-7810	mol	CCCCCCCC(CC)CC(O)=O
-7811	mol	CCCCCCCC(CCC)C(O)=O
-7812	mol	CCCCCCCCC(C)CC(O)=O
-7813	mol	CCCCCCCCC(CC)C(O)=O
-7814	mol	CCCCCCCC(CC)C(F)CC
-7815	mol	CC(C)CCCCC(C)(C)Cl
-7816	mol	CCCCC(CCC)CCCl
-7817	mol	CCCCC(CC(C)C)C(Cl)CC
-7818	mol	CCCCC(CCCC)C(Cl)CC
-7819	mol	CCCCC=C(CCCC)C#N
-7820	mol	CCCCC(=CC(C)CC)C#N
-7821	mol	CCCCC(CC)CC(C)CN
-7822	mol	CCCCC(CCC)C(C)CN
-7823	mol	CCCCCC(C)CC(C)CN
-7824	mol	CCCCCCCCC(C)CN
-7825	mol	CCCCCC(CCCC)C(N)C
-7826	mol	CCCCCCCCCCC(N)C
-7827	mol	CCCCCCCCCCC(N)CC
-7828	mol	CCCCCCCC(CCCN)CCCC
-7829	mol	CCCCCCCCC(C)C(N)CCCC
-7830	mol	CCCCC(CCC)CCC(N)(C)C=O
-7831	mol	CCCC(CC)CC(CCC(N)C)NC=O
-7832	mol	CCCCC(C(CC)CCC)NC=O
-7833	mol	CCCCC(CCC)(CCC)NC=O
-7834	mol	CCCCC(CCC)C(CC)NC=O
-7835	mol	CCCCCC(C(C)C)CCNC=O
-7836	mol	CCCCCCC(CCCC)NC=O
-7837	mol	CCCCCCCC(C(C)C)NC=O
-7838	mol	CCCCCCCC(C)(CC)NC=O
-7839	mol	CCCCCCCCC(C)(C)NC=O
-7840	mol	CCCCCCCCC(CC)NC=O
-7841	mol	CCCCCCCC(C(C)C)NC(O)=O
-7842	mol	CCCCCCCCCCC(N)N
-7843	mol	CCCC(CC)C(CC)(CC)N(N)C(O)=O
-7844	mol	CCCCCCC(CC(C)C)N(O)N
-7845	mol	CC(C)(C)CC(C)CC(CC)=O
-7846	mol	CC(C)C(C)C(CC)C(CC)=O
-7847	mol	CC(C)C(C)CC(C(C)(C)C)=O
-7848	mol	CC(C)C(C)CC(C)(C)C(C)=O
-7849	mol	CC(C)CC=CC(C(C)C)=CO
-7850	mol	CC(C)CC=CC(CCC)=CO
-7851	mol	CC(C)CC(C(C)CCC=C)=O
-7852	mol	CC(C)CC(C)=C(C=C)C=CO
-7853	mol	CC(C)CC(C)(C)C(CCC)=O
-7854	mol	CC(C)CC(C)(C#C)C#CC=O
-7855	mol	CC(C)CC(C)C(C)(CC)C=O
-7856	mol	CC(C)CC(C#C)=C(C#C)C=O
-7857	mol	CC(C)CC(CC=C)(C#C)C=O
-7858	mol	CC(C)CC(CC)=C(CC)C=O
-7859	mol	CC(C)CC(CC)C(CCC)=O
-7860	mol	CC(C)CCC(C(CC)CC)=O
-7861	mol	CC(C)CCC(C)(CC)CC=O
-7862	mol	CC(C)CCC(CC)C(CC)=O
-7863	mol	CC(C)CCCC(C(C)(C)C)=O
-7864	mol	CC(C)CCCC(C(C)C)C=O
-7865	mol	CCC(C(C)C)C(C(C)(C)C)=O
-7866	mol	CCC(C(C)C)C(CC)C(C)=O
-7867	mol	CCC(C)(C)C(CC)(CC)C=O
-7868	mol	CCC(C)C=CC(C(C)CC)=O
-7869	mol	CCC(C)C(=C(C)C(C)C)C=O
-7870	mol	CCC(C)C(C(C)C(C)C)C=O
-7871	mol	CCC(C)C(C)C(C(C)CC)=O
-7872	mol	CCC(C)C(C)C(C)(C)C(C)=O
-7873	mol	CCC(C)C(C)C(C)(CC)C=O
-7874	mol	CCC(C)C(C)CC(CCC)=O
-7875	mol	CCC(C)C(CC)(C(C)C)C=O
-7876	mol	CCC(C)C(CC)C(C)(C)C=O
-7877	mol	CCC(C)C(CC)C(CCC)=O
-7878	mol	CCC(C)C(CC)CC(C)C=O
-7879	mol	CCC(C)C(CC)CCCC=O
-7880	mol	CCC(C)CC(C=C)=C(C)C=O
-7881	mol	CCC(C)CC(C(C)C)CC=O
-7882	mol	CCC(C)CC(C(C)CC)C=O
-7883	mol	CCC(C)CC(C)(CCC)C=O
-7884	mol	CCC(C)CC(CC(C)C)C=O
-7885	mol	CCC(C)CC(CC)(CC)C=O
-7886	mol	CCC(C)CC(CC)CCC=O
-7887	mol	CCC(CC)(C(C)C)C(C)C=O
-7888	mol	CCC(CC)(C(C)C)C(CC)=O
-7889	mol	CCC(CC)C(C(C)C(C)C)=O
-7890	mol	CCC(CC)C(CC)(CC)C=O
-7891	mol	CCC(CC)C(CC)C(CC)=O
-7892	mol	CCC(CC)C(CC)CCC=O
-7893	mol	CCC(CC)CCC(CC)C=O
-7894	mol	CCCC=CC(CC(C)C)=CO
-7895	mol	CCCC(C(C)C(C)CC)C=O
-7896	mol	CCCC(C(C)C)(C(C)C)C=O
-7897	mol	CCCC(C(C)CC)(C#C)C=O
-7898	mol	CCCC(C)(C(C)C)C(C)C=O
-7899	mol	CCCC(C)(C(C)C)C(CC)=O
-7900	mol	CCCC(C)(C(C)CC)C(C)=O
-7901	mol	CCCC(C)(C)C(CC)C(C)=O
-7902	mol	CCCC(C)(C)C(CCC)C=O
-7903	mol	CCCC(C)(CC)CC(C)C=O
-7904	mol	CCCC(C)C(C(CC)CC)=O
-7905	mol	CCCC(C)C(CC)C(CC)=O
-7906	mol	CCCC(C)CC(C(C)(C)C)=O
-7907	mol	CCCC(C)CC(CC)C(C)=O
-7908	mol	CCCC(C#C)C=C(C#C)C=O
-7909	mol	CCCC(C#C)C(C)(C#C)C=O
-7910	mol	CCCC(CC(C)C(C)C)C=O
-7911	mol	CCCC(CC(C)C)=CC=CO
-7912	mol	CCCC(CC)(C(C)CC)C=O
-7913	mol	CCCC(CC)(CC)C(CC)=O
-7914	mol	CCCC(CC)C(C(C)(C)C)=O
-7915	mol	CCCC(CC)C(C(C)C)C=O
-7916	mol	CCCC(CC)C(C(C)CC)=O
-7917	mol	CCCC(CC)C(C)(CC)C=O
-7918	mol	CCCC(CC)C(CC)C(C)=O
-7919	mol	CCCC(CC)C(CC)CC=O
-7920	mol	CCCC(CC)C(CCC)C=O
-7921	mol	CCCC(CC)CC(C)CC=O
-7922	mol	CCCC(CC)CC(CC)C=O
-7923	mol	CCCC(CC)CCC(C)CO
-7924	mol	CCCC(CC)CCCCC=O
-7925	mol	CCCC(CCC(C)CC)C=O
-7926	mol	CCCC(CCC)(CCC)C=O
-7927	mol	CCCC(CCC)C(CCC)=O
-7928	mol	CCCC(CCC)CCCC=O
-7929	mol	CCCCC=C(CC(C)C)C=O
-7930	mol	CCCCC(=CC(C)(C)C)C=O
-7931	mol	CCCCC(=CC(C)CC)C=O
-7932	mol	CCCCC(C(C)(C)C(C)C)=O
-7933	mol	CCCCC(C(C)(C)CC)C=O
-7934	mol	CCCCC(C(C)(C)CCC)=O
-7935	mol	CCCCC(C(C)C(C)C)C=O
-7936	mol	CCCCC(C(C)C)C(C)C=O
-7937	mol	CCCCC(C(C)C)C(CC)=O
-7938	mol	CCCCC(C(CC)C(C)C)=O
-7939	mol	CCCCC(C(CC)CC)C=O
-7940	mol	CCCCC(C(CC)CCC)=O
-7941	mol	CCCCC(C)(C(C)C)C(C)=O
-7942	mol	CCCCC(C)(C(C)CC)C=O
-7943	mol	CCCCC(C)(C)C(CCC)=O
-7944	mol	CCCCC(C)(CC)C(C)CO
-7945	mol	CCCCC(C)(CC)C(C)C=O
-7946	mol	CCCCC(C)(CCCC)C=O
-7947	mol	CCCCC(C)C(C)(C)C(C)=O
-7948	mol	CCCCC(C)C(C)(CC)C=O
-7949	mol	CCCCC(C)C(CC)C(C)=O
-7950	mol	CCCCC(C)C(CC)CC=O
-7951	mol	CCCCC(C)C(CCC)C=O
-7952	mol	CCCCC(C)C(CCCC)=O
-7953	mol	CCCCC(C)CCCCC=O
-7954	mol	CCCCC(C#C)=C(C#C)C=O
-7955	mol	CCCCC(CC(C)C)CC=O
-7956	mol	CCCCC(CC(C)CC)C=O
-7957	mol	CCCCC(CC)(C(C)C)C=O
-7958	mol	CCCCC(CC)(CC)CC=O
-7959	mol	CCCCC(CC)(CCC)C=O
-7960	mol	CCCCC(CC)C(C)CC=O
-7961	mol	CCCCC(CC)C(CC)C=O
-7962	mol	CCCCC(CC)CC(C)C=O
-7963	mol	CCCCC(CCC(C)CC)=O
-7964	mol	CCCCC(CCC)C(CC)=O
-7965	mol	CCCCC(CCCC)CC=O
-7966	mol	CCCCCC(C(C)C)C(C)=O
-7967	mol	CCCCCC(C(CC)CC)=O
-7968	mol	CCCCCC(C)(C(C)C)C=O
-7969	mol	CCCCCC(C)(CC)C(C)=O
-7970	mol	CCCCCC(C)(CCC)C=O
-7971	mol	CCCCCC(C)C(C(C)C)=O
-7972	mol	CCCCCC(C)CC(CC)=O
-7973	mol	CCCCCC(CC(C)C)C=O
-7974	mol	CCCCCC(CC)(CC)C=O
-7975	mol	CCCCCC(CC)C(C)C=O
-7976	mol	CCCCCC(CC)C(CC)=O
-7977	mol	CCCCCC(CC)CCC=O
-7978	mol	CCCCCC(CCC)CC=O
-7979	mol	CCCCCC(CCCC)C=O
-7980	mol	CCCCCCC(C(C)(C)C)=O
-7981	mol	CCCCCCC(C(C)C)C=O
-7982	mol	CCCCCCC(C(C)CC)=O
-7983	mol	CCCCCCC(CC)C(C)=O
-7984	mol	CCCCCCC(CC)CC=O
-7985	mol	CCCCCCC(CCC)C=O
-7986	mol	CCCCCCC(CCCC)=O
-7987	mol	CCCCCCCC(C)CC=O
-7988	mol	CCCCCCCCC(C)CO
-7989	mol	CCC(C)C(C(CC)CCC=O)c1ccccc1
-7990	mol	CCCC(C)C(C)CCCC(O)CC
-7991	mol	CCCCCC(CCC)CC(O)CC
-7992	mol	CCCCCCC(C)CCC(O)CCC
-7993	mol	CCCC(CC)CC(C)CC(O)C(C)CC
-7994	mol	CC(C)CC(C(CC(C)C)C=O)C=O
-7995	mol	CCC(C)C(CC)CCC(C)OC=O
-7996	mol	CCCCCC(CCCCC)OC=O
-7997	mol	CCCCCCC(CCCC)OC=O
-7998	mol	CCCCCCCC(C(C)C)OC=O
-7999	mol	CC(C)CCCCCCCC(=O)N
-8000	mol	CCC(C)C(C)(CC(C)C)C(=O)N
-8001	mol	CCCC(CC)CC(C)CC(=O)N
-8002	mol	CCCCCCCC(C)(C)C(=O)N
-8003	mol	CCCCCCCC(C)CC(=O)N
-8004	mol	CCCCCCCCCCC(=O)N
-8005	mol	CC(C)CC(CC(C)C)CC(O)=O
-8006	mol	CCC(C)CCCCC(C)C(O)=O
-8007	mol	CCCC(CC)C(C(C)C)C(O)=O
-8008	mol	CCCC(CC)C(C)C(C)C(O)=O
-8009	mol	CCCC(CC)CC(C)CC(O)=O
-8010	mol	CCCC(CC)CCCCC(O)=O
-8011	mol	CCCCC(C)C(C(C)C)C(O)=O
-8012	mol	CCCCC(C)C(C)(C)CC(O)=O
-8013	mol	CCCCC(C)C(CCC)C(O)=O
-8014	mol	CCCCC(C)CC(C)CC(O)=O
-8015	mol	CCCCC(CC)(CCC)C(O)=O
-8016	mol	CCCCC(CC)C(CC)C(O)=O
-8017	mol	CCCCC(CCC)CCC(O)=O
-8018	mol	CCCCCCC(C(C)C)C(O)=O
-8019	mol	CCCCCCC(C)(CC)C(O)=O
-8020	mol	CCCCCCC(CCC)C(O)=O
-8021	mol	CCCCCCCC(C)CC(O)=O
-8022	mol	CCCCCCCCCCC(O)=O
-8023	mol	CC(C)CC=C=CC=C=CF
-8024	mol	CCCCCCCC(C)CF
-8025	mol	CCC=C=CC(C#C)=C=C(F)Br
-8026	mol	CCCCC(CCC)CC(F)CC
-8027	mol	CCCCCCCC(CCF)CCC
-8028	mol	CCC(C)CC(CC)CCl
-8029	mol	CC(C)CC(C=C)=C=C(Cl)C=C
-8030	mol	CCCCCCCC(CCl)CCCCC
-8031	mol	CCCC(CC)C(C)(C)CN
-8032	mol	CCCC(CC)CC(C)CN
-8033	mol	CCCCC(C)C(C)(C)CN
-8034	mol	CCCCC(C)CC(C)CN
-8035	mol	CCCCC(CCC)=C(C)N
-8036	mol	CCCCC(CCCC)=CN
-8037	mol	CCCCCC(CC)CCN
-8038	mol	CCCCCCC(C)(C)CN
-8039	mol	CCCCCCCC(C)CN
-8040	mol	CCCC(CC(C)C)CC(N)CC
-8041	mol	CCCCC(CC)C(C)(CN)CCC
-8042	mol	CCCC(CC)CC(C)C(N)CC(C)C
-8043	mol	CCCCCC(C)C(CCN)CCCC
-8044	mol	CCCC(CC)CC(C)C(N)CC(C)CC
-8045	mol	CCCCCCC(C(C)CN)C(CC)CC
-8046	mol	CCCCCCC(C)CC(N)CCCCC
-8047	mol	CCCCCCCC(CCN)CCCCC
-8048	mol	CCCCCCCCCC(N)CCC(=O)N
-8049	mol	CCCCC(CC)CC(CN)CC(O)=O
-8050	mol	CCCCCCCC(CC)N(C)C(O)=O
-8051	mol	CCCCCCCCC(CN)CN
-8052	mol	CCC(CC(C)C)CCCNC=O
-8053	mol	CCCCC(CC)C(CC)NC=O
-8054	mol	CCCCC(CC)CCCNC=O
-8055	mol	CCCCCC(CC)CCNC=O
-8056	mol	CCCCCCCC(C)CNC=O
-8057	mol	CCCCCCCC(CC)NC=O
-8058	mol	CCCCCCCCCCNC=O
-8059	mol	CCCCCCCCC(CN)C(=O)N
-8060	mol	CCCCCCCCCC(N)C(=O)N
-8061	mol	CCCCC(C)C(C)(CCN)C(O)=O
-8062	mol	CCCCC(CCC)CC(N)C(O)=O
-8063	mol	CCCCCCC(C)(C)C(N)C(O)=O
-8064	mol	CCCCCCCCCC(N)C(O)=O
-8065	mol	CCC(CC)CCC(CC)NN
-8066	mol	CCCCCCCCCC(N)N
-8067	mol	CCCCCCC(C)CC(N)(N)C(N)(N)N
-8068	mol	CCCCC(C(CC)CCN)NC=O
-8069	mol	CC(C(CC#C)CC#C)C=O
-8070	mol	CC(C)(C)C(C(C)(C)C)C=O
-8071	mol	CC(C)C(C)C(C(C)C)C=O
-8072	mol	CC(C)C(C)C(C)(CC)C=O
-8073	mol	CC(C)C(C)C(C)C(CC)=O
-8074	mol	CC(C)C(C)CC(C)(C)C=O
-8075	mol	CC(C)C(C)CC(C)C(C)=O
-8076	mol	CC(C)C(C)CC(CC)C=O
-8077	mol	CC(C)CC=C(C=C)C=CO
-8078	mol	CC(C)CC=CC(CC)=CO
-8079	mol	CC(C)CC(C=C)=C(C)C=O
-8080	mol	CC(C)CC(C=C)=CC=CO
-8081	mol	CC(C)CC(C(C)C(C)C)=O
-8082	mol	CC(C)CC(C)(CC=C)C=O
-8083	mol	CC(C)CC(C)(CC)C(C)=O
-8084	mol	CC(C)CC(C)(CC)CC=O
-8085	mol	CC(C)CC(C)C(C)(C)C=O
-8086	mol	CC(C)CC(C)C(CC)C=O
-8087	mol	CC(C)CC(C#C)=C=CC=O
-8088	mol	CC(C)CC(CC(C)C)=CO
-8089	mol	CC(C)CC(CC)(CC)C=O
-8090	mol	CC(C)CC#CC#CC#CO
-8091	mol	CC(C)CCC(C(C)C)C=O
-8092	mol	CC(C)CCC(C(C)CC)=O
-8093	mol	CC(C)CCC(C)(C#C)C=O
-8094	mol	CC(C)CCC(C)(CC)C=O
-8095	mol	CC(C)CCC(C)C(C)C=O
-8096	mol	CC(C)CCC(CC)CC=O
-8097	mol	CC(C)CCCC(C(C)C)=O
-8098	mol	CC(C)CCCC(CC)C=O
-8099	mol	CC(C)CCCCCC#CO
-8100	mol	CCC(C(C)(C)C(C)C)C=O
-8101	mol	CCC(C(C)C(C)C)CC=O
-8102	mol	CCC(C(C)C)(C(C)C)C=O
-8103	mol	CCC(C(C)C)C(C(C)C)=O
-8104	mol	CCC(C(C)C)C(CC)C=O
-8105	mol	CCC(C(C)C)CC(C)C=O
-8106	mol	CCC(C(C)C)CCC(C)=O
-8107	mol	CCC(C)(C(C)C)C(CC)=O
-8108	mol	CCC(C)(C)C(C)C(CC)=O
-8109	mol	CCC(C)(CC)C(C(C)C)=O
-8110	mol	CCC(C)C(=C(C)CC)C=O
-8111	mol	CCC(C)C(C=C)=C(C)C=O
-8112	mol	CCC(C)C(C(C)C(C)C)=O
-8113	mol	CCC(C)C(C(C)C)CC=O
-8114	mol	CCC(C)C(C(C)CC)C=O
-8115	mol	CCC(C)C(C(CC)CC)=O
-8116	mol	CCC(C)C(C)(C(C)C)C=O
-8117	mol	CCC(C)C(C)(C)C(CC)=O
-8118	mol	CCC(C)C(C)C(C(C)C)=O
-8119	mol	CCC(C)C(C)C(CC)C=O
-8120	mol	CCC(C)C(C)C(CCC)=O
-8121	mol	CCC(C)C(CC(C)C)=CO
-8122	mol	CCC(C)C(CC(C)C)C=O
-8123	mol	CCC(C)C(CC)(CC)C=O
-8124	mol	CCC(C)C(CC)C(C)C=O
-8125	mol	CCC(C)C(CC)C(CC)=O
-8126	mol	CCC(C)CC(C(C)CC)=O
-8127	mol	CCC(C)CC(C)C(C)CO
-8128	mol	CCC(C)CC(C)C(C)C=O
-8129	mol	CCC(C)CC(C)CCC=O
-8130	mol	CCC(C)CC(CC)C(C)=O
-8131	mol	CCC(C)CC(CC)CC=O
-8132	mol	CCC(C)CCC(CC)C=O
-8133	mol	CCC(C)CCC(CCC)=O
-8134	mol	CCC(C)CCCC(C)C=O
-8135	mol	CCC(CC(C)C)CCC=O
-8136	mol	CCC(CC(CC)=CC)C=O
-8137	mol	CCC(CC)(C(C)C)C(C)=O
-8138	mol	CCC(CC)(CC)C(CC)=O
-8139	mol	CCC(CC)C(C(C)C)C=O
-8140	mol	CCC(CC)C(C)C(CC)=O
-8141	mol	CCC(CC)C(CC(C)C)=O
-8142	mol	CCC(CC)CC(CCC)=O
-8143	mol	CCCC=C(C=C)C=CC=O
-8144	mol	CCCC(C(C)(CC)CC)=O
-8145	mol	CCCC(C(C)C(C)C)C=O
-8146	mol	CCCC(C(C)C)C(C)C=O
-8147	mol	CCCC(C(C)CC)=CC=O
-8148	mol	CCCC(C(C)CC)C(C)=O
-8149	mol	CCCC(C(C)CC)CC=O
-8150	mol	CCCC(C(CC)C(C)C)=O
-8151	mol	CCCC(C)(C(C)C)CC=O
-8152	mol	CCCC(C)(C(C)CC)C=O
-8153	mol	CCCC(C)(C)C(C(C)C)=O
-8154	mol	CCCC(C)(C)C(CC)C=O
-8155	mol	CCCC(C)(C)C(CCC)=O
-8156	mol	CCCC(C)(CC)C(C)CO
-8157	mol	CCCC(C)(CC)C(CC)=O
-8158	mol	CCCC(C)(CCC)CC=O
-8159	mol	CCCC(C)C(C(C)C)C=O
-8160	mol	CCCC(C)C(C(C)CC)=O
-8161	mol	CCCC(C)C(C)(CC)C=O
-8162	mol	CCCC(C)C(C)C(CC)=O
-8163	mol	CCCC(C)C(CC(C)C)=O
-8164	mol	CCCC(C)C(CCC)C=O
-8165	mol	CCCC(C)C#CC#CC=O
-8166	mol	CCCC(C)CC(C(C)C)=O
-8167	mol	CCCC(C)CC(CC)C=O
-8168	mol	CCCC(C)CC(CCC)=O
-8169	mol	CCCC(C)CCCCC=O
-8170	mol	CCCC(CC(C)C)C=CO
-8171	mol	CCCC(CC(C)C)CC=O
-8172	mol	CCCC(CC(C)CC)C=O
-8173	mol	CCCC(CC)(C(C)C)C=O
-8174	mol	CCCC(CC)(CCC)C=O
-8175	mol	CCCC(CC)C(C(C)C)=O
-8176	mol	CCCC(CC)C(C)(C)C=O
-8177	mol	CCCC(CC)C(C)CC=O
-8178	mol	CCCC(CC)C(CC)C=O
-8179	mol	CCCC(CC)C(CCC)=O
-8180	mol	CCCC(CC)CC(C)CO
-8181	mol	CCCC(CC)CC(C)C=O
-8182	mol	CCCC(CCC(C)C)C=O
-8183	mol	CCCC(CCC)C(C)C=O
-8184	mol	CCCC(CCC)CCC=O
-8185	mol	CCCCC=C(C=C)C=CO
-8186	mol	CCCCC=C(CCC)C=O
-8187	mol	CCCCC(=CCCC)C=O
-8188	mol	CCCCC(C(C)C(C)C)=O
-8189	mol	CCCCC(C(C)C)=CC=O
-8190	mol	CCCCC(C(C)C)CC=O
-8191	mol	CCCCC(C(C)CC)C=O
-8192	mol	CCCCC(C(C)CCC)=O
-8193	mol	CCCCC(C)(C(C)C)C=O
-8194	mol	CCCCC(C)(C)C(C)C=O
-8195	mol	CCCCC(C)(C)C(CC)=O
-8196	mol	CCCCC(C)(CC)CC=O
-8197	mol	CCCCC(C)(CCC)C=O
-8198	mol	CCCCC(C)C(C(C)C)=O
-8199	mol	CCCCC(C)C(CC)C=O
-8200	mol	CCCCC(C)C(CCC)=O
-8201	mol	CCCCC(C)CC(C)CO
-8202	mol	CCCCC(C)CC(C)C=O
-8203	mol	CCCCC(C)CC(CC)=O
-8204	mol	CCCCC(CC(C)C)=CO
-8205	mol	CCCCC(CC(C)C)C=O
-8206	mol	CCCCC(CC(C)CC)=O
-8207	mol	CCCCC(CC)=C=CC=O
-8208	mol	CCCCC(CC)(CC)C=O
-8209	mol	CCCCC(CC)C(C)C=O
-8210	mol	CCCCC(CC)C(CC)=O
-8211	mol	CCCCC(CC)CC(C)=O
-8212	mol	CCCCC(CCC=C)C=O
-8213	mol	CCCCC(CCC(C)C)=O
-8214	mol	CCCCC(CCC)C(C)=O
-8215	mol	CCCCC(CCC)CC=O
-8216	mol	CCCCC(CCCC)C=O
-8217	mol	CCCCCC=C(C#C)C=O
-8218	mol	CCCCCC(C(C)C)C=O
-8219	mol	CCCCCC(C(C)CC)=O
-8220	mol	CCCCCC(C)CCCO
-8221	mol	CCCCCC(C)(C)C(C)=O
-8222	mol	CCCCCC(C)(CC)C=O
-8223	mol	CCCCCC(C)C(C)C=O
-8224	mol	CCCCCC(C)CCC=O
-8225	mol	CCCCCC(CC)C(C)=O
-8226	mol	CCCCCC(CC)CC=O
-8227	mol	CCCCCC(CCC)C=O
-8228	mol	CCCCCC(CCCC)=O
-8229	mol	CCCCCCC(C(C)C)=O
-8230	mol	CCCCCCC(C)C(C)=O
-8231	mol	CCCCCCC(C)CC=O
-8232	mol	CCCCCCC(CC)C=O
-8233	mol	CCCCCCC(CCC)=O
-8234	mol	CCCCCCCC(C)CO
-8235	mol	CCCCCCCC(C)C=O
-8236	mol	CC(C)CC(C(C)C)=CC(O)=C
-8237	mol	CCC(C)C(CC(C)C)=C(O)C
-8238	mol	CCCC(CC(C)C)=CC(O)=C
-8239	mol	CCCCC(C)(CC)CC(O)C
-8240	mol	CCCCC(CC(C)C)=C(O)C
-8241	mol	CCCCC(CCC)CC(O)C
-8242	mol	CCCCC(CCCC)C(O)C
-8243	mol	CCCC(CC(C)C(C)C=O)c1ccccc1
-8244	mol	CCCC(CC(C)C)CC(O)CC
-8245	mol	CCCCC(C)CCCC(O)CC
-8246	mol	CCCCCCCCCC(O)CC
-8247	mol	CCC(C)C(C)C(CC)(C=O)Cc1ccccc1
-8248	mol	CCCCCC(CCC)C(O)CCC
-8249	mol	CCCC(CC)CC(C)C(O)C(C)(C)C
-8250	mol	CCCC(CC)CC(C)C(O)CC(C)C
-8251	mol	CCCCCCC(C(C)CO)C(CC)CC
-8252	mol	CCCCCCCCC(CO)CCC(C)C
-8253	mol	CCCCCCCCCC(O)C(C)C=O
-8254	mol	CCCCCCCCCC(O)(C)CNC=O
-8255	mol	CCCCCC(C(C)C)C(O)(C)C(O)=O
-8256	mol	CCC(C(C)C)C(CC)C(OC)=O
-8257	mol	CCC(C)(CC)C(CC)C(OC)=O
-8258	mol	CCC(C)C(C(C)CC)C(OC)=O
-8259	mol	CCC(C)C(C)C(CC)C(OC)=O
-8260	mol	CCC(C)C(CC)(CC)C(OC)=O
-8261	mol	CCC(CC)C(CC)(CC)OC=O
-8262	mol	CCCC(CC)C(CC)C(OC)=O
-8263	mol	CCCC(CC)C(CCC)OC=O
-8264	mol	CCCC(CC)CCCCOC=O
-8265	mol	CCCCC(C(C)CC)C(OC)=O
-8266	mol	CCCCC(C)C(CC)C(OC)=O
-8267	mol	CCCCC(C)CC(C)(C)OC=O
-8268	mol	CCCCC(CC)C(CC)OC=O
-8269	mol	CCCCC(CC)CCC(O)C=O
-8270	mol	CCCCC(CC)CCCOC=O
-8271	mol	CCCCC(CCC)CCOC=O
-8272	mol	CCCCCCCC(C)COC=O
-8273	mol	CCCCCCCCCCOC=O
-8274	mol	CC(C)CC(C(C(CC)C=O)C=O)C=O
-8275	mol	CCCCCC(C)C(CC=O)C(O)=O
-8276	mol	CCCC(CC(C)(C(C)C=O)C(O)=O)c1ccccc1
-8277	mol	CC(C)CCCCCCC(=O)N
-8278	mol	CCC(C)CC(CCC)C(=O)N
-8279	mol	CCC(C)CCC(C)CC(=O)N
-8280	mol	CCCCCC(C)(CC)C(=O)N
-8281	mol	CCCCCC(C)C(C)C(=O)N
-8282	mol	CCCCCCCC(C)C(O)N
-8283	mol	CCCC(CC)C(CC)(C=O)N(C)C(O)=O
-8284	mol	CC(C)C(C)CC(C)(C)C(O)=O
-8285	mol	CC(C)CC=C=CC#CC(O)=O
-8286	mol	CC(C)CC=C(CCC)C(O)=O
-8287	mol	CC(C)CC=CC(=CC)C(O)=O
-8288	mol	CC(C)CC(C#C)(C#C)C(O)=O
-8289	mol	CC(C)CC(CCC=C)C(O)=O
-8290	mol	CC(C)CCC(CC)CC(O)=O
-8291	mol	CC(C)CCCC(CC)C(O)=O
-8292	mol	CC(C)CCCCC(C)C(O)=O
-8293	mol	CCC(C)C(C)(CC)CC(O)O
-8294	mol	CCC(C)C(CC(C)C)C(O)=O
-8295	mol	CCC(C)CC(CC=C)C(O)=O
-8296	mol	CCC(C)CC(CC)CC(O)=O
-8297	mol	CCC(CC)(CC)C(C)C(O)=O
-8298	mol	CCC(CC)CC(C)CC(O)=O
-8299	mol	CCCC=C(CC(C)C)C(O)=O
-8300	mol	CCCC(C(C)(CC)CC=O)=O
-8301	mol	CCCC(C)C(CCC)C(O)=O
-8302	mol	CCCC(C#C)=C(C=C)C(O)=O
-8303	mol	CCCC(CCC)C(C)C(O)=O
-8304	mol	CCCC(CCC)CCC(O)=O
-8305	mol	CCCC(CCCC=C)C(O)=O
-8306	mol	CCCCC(=CCCC)C(O)=O
-8307	mol	CCCCC(C=C=C)=CC(O)=O
-8308	mol	CCCCC(C(C)CC)C(O)=O
-8309	mol	CCCCC(C(CC)CC=O)=O
-8310	mol	CCCCC(C)(C)C(C)C(O)=O
-8311	mol	CCCCC(C)(CCC)C(O)=O
-8312	mol	CCCCC(C)C(C)(C)C(O)=O
-8313	mol	CCCCC(CC(C)C)=C(O)O
-8314	mol	CCCCC(CC(CC)C=O)=O
-8315	mol	CCCCC(CC#C)CC(O)=O
-8316	mol	CCCCC(CCCCC=O)=O
-8317	mol	CCCCCC(C)(C)CC(O)=O
-8318	mol	CCCCCC(C)(CC)C(O)=O
-8319	mol	CCCCCC(CC)CC(O)=O
-8320	mol	CCCCCC(CCC)C(O)=O
-8321	mol	CCCCCCC(C)CC(O)=O
-8322	mol	CCCCCCCCCC(O)=O
-8323	mol	CCCC(CCC)C(CC(O)=O)C(O)=O
-8324	mol	CCCCCCCCC(C(O)O)C(O)=O
-8325	mol	CC(C=C)C#CC#CCl
-8326	mol	CCC(C)C=CC#CCl
-8327	mol	CCCCC=CC#CCl
-8328	mol	CCCCC(C)CCCl
-8329	mol	CCCCC(CC)CCl
-8330	mol	CCCCCC(C)C(Cl)CC
-8331	mol	CCCCCCCC(Cl)CC
-8332	mol	CCCCCC(C)C(Cl)(CC)C(C)CC
-8333	mol	CCCCCC(C)C(Cl)(CC)C(O)=O
-8334	mol	CCC(C)C#CC(=CCl)C=O
-8335	mol	CCCCC(C)C(CCl)N(=O)=O
-8336	mol	CCCCC(C)CC(Cl)N(=O)=O
-8337	mol	C=CC#CC#CC=CC#N
-8338	mol	CCC(C)C=C(C(C)C)N
-8339	mol	CCC(C)C(C(C)C)C#N
-8340	mol	CCCC(C)C(C)(C)CN
-8341	mol	CCCC(CC(C)C)C#N
-8342	mol	CCCCC(CC)=C(C)N
-8343	mol	CCCCCC(C)CCN
-8344	mol	CCCCCC(C)CC#N
-8345	mol	CCCCCCC(C)CN
-8346	mol	CCCCCCCCC#N
-8347	mol	CC(C)(C)C(C)C(CC)N(Br)C(=O)N
-8348	mol	CCC(C)CCCCC(N)C
-8349	mol	CCC(CC)C(CC)C(N)C
-8350	mol	CCCC(CC(C)C)C(N)C
-8351	mol	CCCC(CC)CCC(N)C
-8352	mol	CCCCC(CC)CC(N)C
-8353	mol	CCCCC(CCC)C(N)C
-8354	mol	CCCCCC(CC)C(N)C
-8355	mol	CCCCCCCCC(N)C
-8356	mol	CCC(CC)(CC)CC(N)(C)C
-8357	mol	CCCCC(CCC)C(N)CC
-8358	mol	CCCCCCCCC(N)CC
-8359	mol	CCCCC(CCC)C(N)CCC
-8360	mol	CCCCCCC(C)C(N)C(C)C
-8361	mol	CCCCC(CCC)C(N)(C)CCC
-8362	mol	CCCCCC(CCCN)CCCC
-8363	mol	CCCC(CC)CC(CN)CCC(C)C
-8364	mol	CCCCC(C)CC(CN)CC(C)CC
-8365	mol	CCCCCC(C)(CCN)CCCCC
-8366	mol	CCCCCC(CC)C(N)C(CC)CC
-8367	mol	CCCCCCC(C)C(N)CCCCC
-8368	mol	CCCCCCCC(CN)CCC(C)C
-8369	mol	CCCCCC(CCCN)C(CC)CCC
-8370	mol	CCCCCCC(C)C(N)C(CC)CCC
-8371	mol	CCCCCCCC(CN)CCCCCC
-8372	mol	CCCCCCCCC(N)CCCCCC
-8373	mol	CC(C)CCC(CCC)N(CCC)C=O
-8374	mol	CCCCC(CCC)C(N)C(C)CC=O
-8375	mol	CCCC(C)CCCC(N)(C)C=O
-8376	mol	CCCC(CC(C)C)(C(N)C)C(O)=O
-8377	mol	CCCC(C)C(C)(C)CNC=O
-8378	mol	CCCC(CCC)C(C)NC=O
-8379	mol	CCCCC(C(C)C)C(N)C=O
-8380	mol	CCCCC(C)(CCC)NC=O
-8381	mol	CCCCC(C)C(CC)NC=O
-8382	mol	CCCCC(CCC)CNC=O
-8383	mol	CCCCCC(C(C)CN)C=O
-8384	mol	CCCCCC(C)C(C)NC=O
-8385	mol	CCCCCCC(C)CNC=O
-8386	mol	CCCCCCCC(C)(NC=O)NC=O
-8387	mol	CCCCCC(C)CC(N)C(O)=O
-8388	mol	CC(C)CCCC(CC)NN
-8389	mol	CCC(CC)CC(C)C(N)N
-8390	mol	CCCCC(CCC)C(N)N
-8391	mol	CCCCCC(CC)C(N)N
-8392	mol	CCCCCCC(C)C(N)N
-8393	mol	CCCCCCC(CC)NN
-8394	mol	CCCCC(CCC)C(N)(N)C(=O)N
-8395	mol	CCCCCCC(CC)N(N)C(=O)N
-8396	mol	CCCCC(CCC)C(N)(N)C(O)=O
-8397	mol	C=CC#CC(C=C)=CC=O
-8398	mol	C=CC#CC(C#C)=CC=O
-8399	mol	C=CC#CC#CC=CC=O
-8400	mol	C=CCCC(CC=C)C=O
-8401	mol	C#CC(C#C)=C(C#C)C=O
-8402	mol	C#CCC(CC#C)CC=O
-8403	mol	CC(C)(C)C=CC(C)=CO
-8404	mol	CC(C)(C)CC(C)CC=O
-8405	mol	CC(C)C=CC(C(C)C)=O
-8406	mol	CC(C)C=CC(CC)=CO
-8407	mol	CC(C)C(C)C(CC)C=O
-8408	mol	CC(C)C(C)CC(C)C=O
-8409	mol	CC(C)C#CC(C)(C)C=O
-8410	mol	CC(C)CC=C(C#C)C=O
-8411	mol	CC(C)CC=CC=CC=O
-8412	mol	CC(C)CC=CC(C)=CO
-8413	mol	CC(C)CC(=C)C(C)=CO
-8414	mol	CC(C)CC(C=C)=CC=O
-8415	mol	CC(C)CC(C(C)C)=CO
-8416	mol	CC(C)CC(C(C)C)C=O
-8417	mol	CC(C)CC(C)(C)C=CO
-8418	mol	CC(C)CC(C)(CC)C=O
-8419	mol	CC(C)CC(C)CC(C)=O
-8420	mol	CC(C)CC(CC(C)C)=O
-8421	mol	CC(C)CC(CC)=CC=O
-8422	mol	CC(C)CC(CC)C(C)=O
-8423	mol	CC(C)CCC(C(C)C)=O
-8424	mol	CC(C)CCC(C)CC=O
-8425	mol	CC(C)CCC(CC)C=O
-8426	mol	CC(C)CCC(CCC)=O
-8427	mol	CC(C)CCCC(C)C=O
-8428	mol	CC(C#C)=C(C)C#CC=O
-8429	mol	CC(C#C)C(C)(C#C)C=O
-8430	mol	CC(C#C)C#CC#CC=O
-8431	mol	CC(CC#C)C(C#C)C=O
-8432	mol	CC(CCC=C(C)C)C=O
-8433	mol	CCC(C(C=C)C=C)C=O
-8434	mol	CCC(C(C)C)C(C)C=O
-8435	mol	CCC(C(C)C)CC(C)=O
-8436	mol	CCC(C(C)C)CCC=O
-8437	mol	CCC(C)=C(C(C)C)C=O
-8438	mol	CCC(C)(C(C)(C)C)C=O
-8439	mol	CCC(C)(C)C(CC)C=O
-8440	mol	CCC(C)C=C(C#C)C=O
-8441	mol	CCC(C)C=C(CC)C=O
-8442	mol	CCC(C)C(C(C)C)C=O
-8443	mol	CCC(C)C(C(C)CC)=O
-8444	mol	CCC(C)C(C)(C#C)C=O
-8445	mol	CCC(C)C(C)(CC)C=O
-8446	mol	CCC(C)C(C)C(C)C=O
-8447	mol	CCC(C)C(C)C(CC)=O
-8448	mol	CCC(C)C(C)CCC=O
-8449	mol	CCC(C)C(CC(C)C)=O
-8450	mol	CCC(C)C(CC)CC=O
-8451	mol	CCC(C)C#CC#CC=O
-8452	mol	CCC(C)CC(C)(C)C=O
-8453	mol	CCC(C)CC(C)CC=O
-8454	mol	CCC(C)CC(CC)C=O
-8455	mol	CCC(C)CCC(C)C=O
-8456	mol	CCC(C)CCCCC=O
-8457	mol	CCC(C#C)=C(C#C)C=O
-8458	mol	CCC(CC)(C(C)C)C=O
-8459	mol	CCC(CC)C(C(C)C)=O
-8460	mol	CCC(CC)C(CC)C=O
-8461	mol	CCC(CC)CC(C)C=O
-8462	mol	CCC(CC)CC(CC)=O
-8463	mol	CCCC=CC(CC)=CO
-8464	mol	CCCC=CC(CCC)=O
-8465	mol	CCCC(=C)C=CC=CO
-8466	mol	CCCC(C(C)(C)CC)=O
-8467	mol	CCCC(C(C)C)CC=O
-8468	mol	CCCC(C(C)CC)=CO
-8469	mol	CCCC(C(C)CC)C=O
-8470	mol	CCCC(C(CC)CC)=O
-8471	mol	CCCC(C)(C(C)C)C=O
-8472	mol	CCCC(C)(C)C(CC)=O
-8473	mol	CCCC(C)(CC=C)C=O
-8474	mol	CCCC(C)(CC)C(C)=O
-8475	mol	CCCC(C)(CC)CC=O
-8476	mol	CCCC(C)(CCC)C=O
-8477	mol	CCCC(C)C(C(C)C)=O
-8478	mol	CCCC(C)C(C)CC=O
-8479	mol	CCCC(C)C(CC)C=O
-8480	mol	CCCC(C)C(CCC)=O
-8481	mol	CCCC(C)CC(C)C=O
-8482	mol	CCCC(C)CC(CC)=O
-8483	mol	CCCC(C#C)C=CC=O
-8484	mol	CCCC(C#C)C(CC)=O
-8485	mol	CCCC(CC(C)C)=CO
-8486	mol	CCCC(CC(C)C)C=O
-8487	mol	CCCC(CC)(CC)C=O
-8488	mol	CCCC(CC)C(C)CO
-8489	mol	CCCC(CC)C(C)C=O
-8490	mol	CCCC(CC)C(CC)=O
-8491	mol	CCCC(CC)CC(C)=O
-8492	mol	CCCC(CC)CCC=O
-8493	mol	CCCC(CCC)C(C)=O
-8494	mol	CCCCC=C(C#C)C=O
-8495	mol	CCCCC=CC#CC=O
-8496	mol	CCCCC(=C)C=CC=O
-8497	mol	CCCCC(=C)C#CC=O
-8498	mol	CCCCC(C=C)=CC=O
-8499	mol	CCCCC(C(C)C)=CO
-8500	mol	CCCCC(C(C)C)C=O
-8501	mol	CCCCC(C(C)C#C)=O
-8502	mol	CCCCC(C(C)CC)=O
-8503	mol	CCCCC(C)(C)C(C)=O
-8504	mol	CCCCC(C)(CC)C=O
-8505	mol	CCCCC(C)C(C)CO
-8506	mol	CCCCC(C)C(C)C=O
-8507	mol	CCCCC(C)C(CC)=O
-8508	mol	CCCCC(C)CC(C)=O
-8509	mol	CCCCC(C)CCC=O
-8510	mol	CCCCC(C#C)C(C)=O
-8511	mol	CCCCC(C#C)C#CO
-8512	mol	CCCCC(CC=C)C=O
-8513	mol	CCCCC(CC(C)C)=O
-8514	mol	CCCCC(CC)CCO
-8515	mol	CCCCC(CC)=CC=O
-8516	mol	CCCCC(CC)C(C)=O
-8517	mol	CCCCC(CC)CC=O
-8518	mol	CCCCC(CCC)=CO
-8519	mol	CCCCC(CCC)C=O
-8520	mol	CCCCC(CCCC)=O
-8521	mol	CCCCCC(C(C)C)=O
-8522	mol	CCCCCC(C)(C)C=O
-8523	mol	CCCCCC(C)C(C)=O
-8524	mol	CCCCCC(C)CC=O
-8525	mol	CCCCCC(CC)C=O
-8526	mol	CCCCCC(CCC)=O
-8527	mol	CCCCCCC(C)CO
-8528	mol	CCCCCCC(C)C=O
-8529	mol	CCCCCCC(CC)=O
-8530	mol	CCCCCCCCC=O
-8531	mol	CC(C)CC(C(C)C)=C(O)C
-8532	mol	CCC(C)C(C)C(C)C(O)C
-8533	mol	CCCC=CC(CC)=C(O)C
-8534	mol	CCCC(C(C)CC)=C(O)C
-8535	mol	CCCC(CC(C)C)C(O)C
-8536	mol	CCCC(CCC)CC(O)C
-8537	mol	CCCCC(C)(CC)C(O)C
-8538	mol	CCCCC(CCC)C(O)C
-8539	mol	CCCCCCCCC(O)C
-8540	mol	CCCC(CCC(C)C=O)c1ccccc1
-8541	mol	CCC(C)C(CCCC=O)C1CCCCC1
-8542	mol	CCC(C)C(CCCC=O)(C1CCCCC1)C=O
-8543	mol	CC(C)C=CC(CC)=C(O)CC
-8544	mol	CC(C)CC=CC(C)=C(O)CC
-8545	mol	CC(C)CC=CC(C)(CO)C=C
-8546	mol	CC(C)CC(C=C)=C(C=O)C=C
-8547	mol	CC(C)CC(C=C)=CC(=O)C=C
-8548	mol	CC(C)CC(C(C)C)C(=O)C=C
-8549	mol	CC(C)CC(C(C)C)C(=O)C#C
-8550	mol	CC(C)CCC(CC)C(=O)C=C
-8551	mol	CCC(C(C)(C)C=C)(C=O)C=C
-8552	mol	CCC(C)C=CC(C)(CO)CC
-8553	mol	CCC(C)C(CC)CC(=O)C=C
-8554	mol	CCC(CC)C(C)(CC=O)C=C
-8555	mol	CCCC=CC(C=C)=C(O)C=C
-8556	mol	CCCC(=C)C(C=C)=C(O)C=C
-8557	mol	CCCC(CC(C)C)=C(O)C=C
-8558	mol	CCCC(CC(CC)C=O)C#C
-8559	mol	CCCCC=C(C)C=C(O)C=C
-8560	mol	CCCCC(C(C)C)C(O)CC
-8561	mol	CCCCC(C)(C)C(C)OCC
-8562	mol	CCCCC(C)C(CC)OCC
-8563	mol	CCCCC(CC=C)(C=O)C=C
-8564	mol	CCCCC(CC)=C(C=O)C=C
-8565	mol	CCCCC(CC)(CC)OCC
-8566	mol	CCCCC(CC)(CCO)C=C
-8567	mol	CCCCC(CCC)(C=O)C=C
-8568	mol	CCCCC(CCC)C(O)(C)C
-8569	mol	CCCCCC(CC)C(O)(C)C
-8570	mol	CCCCCCCCC(O)(C)C
-8571	mol	CC(C)C(C)c(cc(C=O)cc1C)c1C
-8572	mol	CC(C)CCc(cc(C=O)cc1C)c1C
-8573	mol	CCC(C)Cc(cc(C=O)cc1C)c1C
-8574	mol	CCCC(C)c(cc(C=O)cc1C)c1C
-8575	mol	CCCCCc(cc(C=O)cc1C)c1C
-8576	mol	CCCCC(CC)C(CO)CCC
-8577	mol	CCCCC(CC)CC(O)CCC
-8578	mol	CCCCC(CCC)C(O)CCC
-8579	mol	CCCCCCCCC(O)CCC
-8580	mol	CCCCCCCCC(O)C(C)C
-8581	mol	CC(C)CCCc(c(C=O)ccc1C=O)c1C
-8582	mol	CCCCC(C)CC(CO)CCCC
-8583	mol	CCCCC(C)CC(CO)CC(C)C
-8584	mol	CCCCCC(C)(CCO)CCCCC
-8585	mol	CCCCCCCC(CO)CCCCCC
-8586	mol	CCCCCCCC(CO)CC(CC)CC
-8587	mol	CCCCCCCCC(O)CCCCCC
-8588	mol	CCCCC(CC)CC(O)CCCC=O
-8589	mol	CCCCC(CCC)C(O)(CCC)C(=O)N
-8590	mol	CCCCC(CC)CC(O)(C)CC=O
-8591	mol	CCCCCCCCC(O)(C)C=O
-8592	mol	CC(C)CC(C)C(CC(O)C)C(O)=O
-8593	mol	CCCCC(C)C(C)(CO)CN
-8594	mol	CCCCC(C)CC(CO)CN
-8595	mol	CC(C)C(C)C(CC)C(OC)=O
-8596	mol	CC(C)CC(=C)C(C)=COC=O
-8597	mol	CC(C)CC(C)C(C)(C=O)C=O
-8598	mol	CC(C)CC#CC#CC(=O)C=O
-8599	mol	CC(C)CCC(C(C)C=O)C=O
-8600	mol	CCC(C(CC)(CC)C=O)C=O
-8601	mol	CCC(C(CC)C(CC)=O)C=O
-8602	mol	CCC(C)(CC)C(C)C(O)C=O
-8603	mol	CCC(C)C(C)CCC(=O)C=O
-8604	mol	CCC(C)C(CC)C(C=O)C=O
-8605	mol	CCC(C)C(CC)CCOC=O
-8606	mol	CCC(C)CCC(CC=O)C=O
-8607	mol	CCC(CC)(CCCC=O)C=O
-8608	mol	CCC(CC)C(C(C)C)OC=O
-8609	mol	CCCC(C)(CCC)C(=O)C=O
-8610	mol	CCCC(C)C(CC)C(OC)=O
-8611	mol	CCCC(C)C(CCC)OC=O
-8612	mol	CCCC(CC(CCC)=O)C=O
-8613	mol	CCCC(CC)CCCOC=O
-8614	mol	CCCC#CC#CC#COC=O
-8615	mol	CCCCC(C)C(C)(C=O)C=O
-8616	mol	CCCCC(C)C(C)COC=O
-8617	mol	CCCCC(CC)C#COC=O
-8618	mol	CCCCC(CC)CC(=O)C=O
-8619	mol	CCCCC(CCC)(C=O)C=O
-8620	mol	CCCCC(CCC)COC=O
-8621	mol	CCCCCC(C)(C)C(=O)C=O
-8622	mol	CCCCCC(C)C(C=O)C=O
-8623	mol	CCCCCC(CCC=O)C=O
-8624	mol	CCCCCCC(CC=O)C=O
-8625	mol	CCC(C(C)C(C)(C)C=O)(C=O)Cc1ccccc1
-8626	mol	CC(C)CC(CCCCOC=O)CC(C)C
-8627	mol	CCC(CCC(CCC=O)C=O)C(=O)N
-8628	mol	CCCC(C(CC)CC)OC(=O)C(O)=O
-8629	mol	CCC(CCCCCC=O)C(=O)N
-8630	mol	CC(C)CCCCCC(O)C(O)=O
-8631	mol	CCCC(CC(CC)C=O)C(O)=O
-8632	mol	CCCCCCCC(C=O)C(O)=O
-8633	mol	CCCCCCCCC(O)C(O)=O
-8634	mol	CC(C)CC(C)(CC)C(=O)N
-8635	mol	CCC(C)C(C)C(C)C(=O)N
-8636	mol	CCC(CC)CCCC(=O)N
-8637	mol	CCCC(CC(C)C)C(=O)N
-8638	mol	CCCCC(CCC)C(=O)N
-8639	mol	CCCCCC(C)CC(=O)N
-8640	mol	CCCCCC(CC)C(=O)N
-8641	mol	CCCCCCC(C)C(=O)N
-8642	mol	CCCCCCCCC(=O)N
-8643	mol	CCCCC(CCC)C(O)(N)CCC
-8644	mol	CCC(CCC(CC)C(=O)N)C=O
-8645	mol	CCCCCC(CC)C(=O)NN
-8646	mol	CCCCCCC(C)C(=O)NN
-8647	mol	CCCCC(CC)C(C=O)N(N)C=O
-8648	mol	CCC(C)CC(CC)C(ON)=O
-8649	mol	CC(C)CC=CC=CC(O)=O
-8650	mol	CC(C)CC(=C(C)C)C(O)=O
-8651	mol	CC(C)CC(C=C)=CC(O)=O
-8652	mol	CC(C)CC(C(C)C)=C(O)O
-8653	mol	CC(C)CC(C(C)C)C(O)=O
-8654	mol	CC(C)CC(C)(C)CC(O)=O
-8655	mol	CC(C)CC(C)(C#C)C(O)=O
-8656	mol	CC(C)CC(C)(CC)C(O)=O
-8657	mol	CC(C)CC(C)C(C)C(O)=O
-8658	mol	CC(C)CCC(C)(C)C(O)=O
-8659	mol	CC(C)CCC(C)CC(O)=O
-8660	mol	CC(C)CCCC(C)C(O)=O
-8661	mol	CCC(C(C=C)C=C)C(O)=O
-8662	mol	CCC(C(C)(C)C)CC(O)=O
-8663	mol	CCC(C(C)CC=C)C(O)=O
-8664	mol	CCC(C)C=C(C#C)C(O)=O
-8665	mol	CCC(C)C(C(C)C)C(O)=O
-8666	mol	CCC(C)C(C)(CC)C(O)=O
-8667	mol	CCC(C)C(C)CCC(O)=O
-8668	mol	CCC(C)C(CC)CC(O)=O
-8669	mol	CCC(C)C#CC#CC(O)=O
-8670	mol	CCC(C)CC(C)CC(O)=O
-8671	mol	CCC(C)CC(CC)C(O)=O
-8672	mol	CCC(C#C)C(C#C)C(O)=O
-8673	mol	CCC(CC(C)C)CC(O)=O
-8674	mol	CCC(CC)(C(C)C)C(O)=O
-8675	mol	CCC(CC#C)C=CC(O)=O
-8676	mol	CCC#CCCCCC(O)=O
-8677	mol	CCCC=C=C(C=C)C(O)=O
-8678	mol	CCCC=C(CCC)C(O)=O
-8679	mol	CCCC(C(C(C)C)C=O)=O
-8680	mol	CCCC(C(C)(C)CC=O)=O
-8681	mol	CCCC(C(C)(CC)C=O)=O
-8682	mol	CCCC(C(C)CC)C(O)=O
-8683	mol	CCCC(C(CC)CC=O)=O
-8684	mol	CCCC(C)=C(C#C)C(O)=O
-8685	mol	CCCC(C)(CCC)C(O)=O
-8686	mol	CCCC(C)C(CC)C(O)=O
-8687	mol	CCCC(C)CC(C)C(O)=O
-8688	mol	CCCC(C#C)(C=C)C(O)=O
-8689	mol	CCCC(CC(C)C)C(O)=O
-8690	mol	CCCC(CC(C)CC=O)=O
-8691	mol	CCCC(CC)C(C)C(O)=O
-8692	mol	CCCC(CC)CCC(O)=O
-8693	mol	CCCC(CCC=C)C(O)=O
-8694	mol	CCCCC=C(C=C)C(O)=O
-8695	mol	CCCCC=C(C#C)C(O)=O
-8696	mol	CCCCC=C(CC)C(O)=O
-8697	mol	CCCCC(=CCC)C(O)=O
-8698	mol	CCCCC(C=C)=CC(O)=O
-8699	mol	CCCCC(C(CC)C=O)=O
-8700	mol	CCCCC(C)(C)CC(O)=O
-8701	mol	CCCCC(C)(CC)C(O)=O
-8702	mol	CCCCC(C)CCC(O)=O
-8703	mol	CCCCC(CC)=CC(O)=O
-8704	mol	CCCCC(CC)CC(O)=O
-8705	mol	CCCCC(CCC)=C(O)O
-8706	mol	CCCCC(CCC)C(O)=O
-8707	mol	CCCCCC(C)(C)C(O)=O
-8708	mol	CCCCCC(C)CC(O)=O
-8709	mol	CCCCCC(CC)C(O)=O
-8710	mol	CCCCCCC(C)C(O)=O
-8711	mol	CCCCCCCCC(O)=O
-8712	mol	CCCCCC(C)(CC)OOCC
-8713	mol	CCC(CCCCCC(O)=O)C=O
-8714	mol	CCC(CCCCCC(O)=O)C(O)=O
-8715	mol	CCCC(CC(CC)C(O)=O)C(O)=O
-8716	mol	CCCCC(CCC)(C(O)=O)C(O)=O
-8717	mol	CC(C)C(C(C)(C)CC(O)=O)=O
-8718	mol	CCCC(C(C)(C)CC(O)=O)=O
-8719	mol	CCCC(C(C)(CC)C(O)=O)=O
-8720	mol	CCCC(C(CC)CC(O)=O)=O
-8721	mol	CCCCC(C(CC)C(O)=O)=O
-8722	mol	CCC=C=CC=C=CF
-8723	mol	CCCC(CC)=C=CF
-8724	mol	CCCCC#CC=CF
-8725	mol	CC(C)C=CC#CC(F)=C
-8726	mol	CCCC(CC)CC(F)C
-8727	mol	CC(C)CC(C#C)=C(F)C=C
-8728	mol	CCC(C)C(C=C)=C(F)C=C
-8729	mol	CCCCC(C=C)=C(F)C=C
-8730	mol	CCC(CC)C(CC(F)CC1O)C1C
-8731	mol	CCCCCCCC(F)(CC)CC(C)C
-8732	mol	CCCCCC(C)C(F)(CC)C(O)=O
-8733	mol	CCCCC(C)CC(F)(F)O
-8734	mol	CCC=C(C)C#CC(F)=O
-8735	mol	CCCCCCCCl
-8736	mol	CC(C)CC=C=CCl
-8737	mol	CCC=C(C)C#CCl
-8738	mol	CCC(C)CC(C)Cl
-8739	mol	CCCC=C=C(C)Cl
-8740	mol	CCCCC(C)C(Cl)CC
-8741	mol	CCCCC=C=C(Cl)CC(C)C
-8742	mol	CCCCC(C)C(Cl)C(C)NC=O
-8743	mol	CCCCCCC(Cl)C(C)NC=O
-8744	mol	CC(C)C(C(C)(C)Cl)C=O
-8745	mol	CCC(C)C(=C=CCl)N(=O)=O
-8746	mol	CCC(C)CC(C)(Cl)N(=O)=O
-8747	mol	CCCC(C)C(CCl)N(=O)=O
-8748	mol	CCCCC(=C=CCl)N(=O)=O
-8749	mol	CC(C)CC=C=C(Cl)OC=O
-8750	mol	CC(C)C(CC#C)C#N
-8751	mol	CC(C)CCCCC#N
-8752	mol	CC(CCC=C=C)C#N
-8753	mol	CCC(C)C(C)(C)C#N
-8754	mol	CCCCC=C=CC#N
-8755	mol	CCCCC(C)CCN
-8756	mol	CCCCC(C)CC#N
-8757	mol	CCCCCC(C)CN
-8758	mol	CCCCCC(C)C#N
-8759	mol	CCCCC(CC)CNC
-8760	mol	CCCCCCCCNC1CCCCC1
-8761	mol	CCCCCCCC(N)C1CCCCC1
-8762	mol	CCCC(C(C)(C)C#N)C#C
-8763	mol	CCCC(C(C)C)C(N)CC
-8764	mol	CCCC(CC)C(CN)CC
-8765	mol	CCCC(CC)CC(N)(C)C
-8766	mol	CCCCC(CC)C(N)CC
-8767	mol	CCCCCC(C)C(N)CC
-8768	mol	CCCCCC(CC)NCC
-8769	mol	CCCCCCCC(N)CC
-8770	mol	CCCCCCCC(N)(C)C
-8771	mol	CC(C)CCC(C)C(N)C(C)C
-8772	mol	CC(C)CCCCC(N)(C)CC
-8773	mol	CCCCC(C)C(CN)CCC
-8774	mol	CCCCC(CC)C(N)CCC
-8775	mol	CCCCC(CC)C(N)(C)C=C
-8776	mol	CCCCC(CC)C(N)C(C)C
-8777	mol	CCCCCC(C)C(N)C(C)C
-8778	mol	CCCCCC(CCN)C(C)C
-8779	mol	CCCCCCCC(N)CCC
-8780	mol	CCCCCCCC(N)C(C)C
-8781	mol	CCC(C)CCCC(N)CC(C)C
-8782	mol	CCCC(CC)C(CN)CC(C)C
-8783	mol	CCCCCC(C)C(N)C(C)CC
-8784	mol	CCCCCCCC(N)CCCC
-8785	mol	CCCCCCCC(N)CC(C)C
-8786	mol	CCCC(CC)CC(N)C(CC)CC
-8787	mol	CCCCCCCC(N)CCCCC
-8788	mol	CCCCC(C)C(CN)C(CC)CCC
-8789	mol	CCCCCC(CC)NC(CC)CCC
-8790	mol	CCCCCC(CCN)C(CC)CCC
-8791	mol	CCCCCCC(CN)C(CC)CCC
-8792	mol	CCCCCCCC(N)(CC)CC(C)C
-8793	mol	CCCCCCCCNC(CC)CCC
-8794	mol	CCCCC(C)C(C(N)CC)C(CC)CC
-8795	mol	CCCCC(CC)C(N)(CCC)CCCC
-8796	mol	CCCCC(CC)C(N)CCCC(C)CC
-8797	mol	CCCCCCC(CN)C(CC)CCCC
-8798	mol	CCCCCCC(CN)C(CCC)CCC
-8799	mol	CCCCCCCC(N)(C)CCCCCC
-8800	mol	CCCCCCCC(N)(CCC)CCCC
-8801	mol	CCCCCCCC(N)C(C)CCCCC
-8802	mol	CCCCCCC(C)N(C(C)CC)C=O
-8803	mol	CCCCC(CC)C(N)(CCCC)C(O)=O
-8804	mol	CCCCCC(CC)NC(CCC)=O
-8805	mol	CCCCCCCCNC(CCC)=O
-8806	mol	CCCCC(CC)C(N)C(C)CN
-8807	mol	CCCCCCCC(N)C(C)CN
-8808	mol	CCCC(CCC)C(N)CCCNC=O
-8809	mol	CC(C)CCCCC(N)CCC(=O)N
-8810	mol	CCCC(CC)C(CN)CCC(=O)N
-8811	mol	CCCCC(CC)CN(CC)N
-8812	mol	CCCCC(CC)C(N)C(CN)CC(O)=O
-8813	mol	CCCCC(CC)C(N)C(CN)CN
-8814	mol	CCC(C)C(C(C)C(N)(C)C)=O
-8815	mol	CCCCC(CCC)NC(C)=O
-8816	mol	CCCCCCC(CN)CC=O
-8817	mol	CCCCCCC(C)NCl
-8818	mol	CCCC(C)C(C)(CN)CN
-8819	mol	CCCC(CC)C(CN)CN
-8820	mol	CCCCCCCC(N)C(N)(C)C
-8821	mol	CC(C)CC(C(C)C)NC=O
-8822	mol	CCC(C)C(C(C)C(N)C)=O
-8823	mol	CCCC(CC(C)C)NC=O
-8824	mol	CCCC(CC)C(C)NC=O
-8825	mol	CCCCC(CCC)NC=O
-8826	mol	CCCCCC(CC)NC=O
-8827	mol	CCCCCCC(C)NC=O
-8828	mol	CCCCCCCCNC=O
-8829	mol	CCCCCC(CC)N(C=O)C(=O)C(O)=O
-8830	mol	CCCCCCC(C)(NC=O)C(=O)N
-8831	mol	CCC(C)CCCC(N)C(=O)N
-8832	mol	CCCCCC(CC)NC(=O)N
-8833	mol	CCCCCCCCNC(=O)N
-8834	mol	CCC(C)CCCC(N)C(O)=O
-8835	mol	CCCC(C(C)C)C(N)C(O)=O
-8836	mol	CCCC(CC)CC(N)C(O)=O
-8837	mol	CCCCCC(CCN)C(O)=O
-8838	mol	CCCCCCCCNC(O)=O
-8839	mol	CCCC(CCC(C)NC=O)OC=O
-8840	mol	CCC(C)CCCC(N)N
-8841	mol	CCCCCC(CC)NN
-8842	mol	CCCCCCCC(N)N
-8843	mol	CCCC(CC)CC(N)(N)C
-8844	mol	CC(C)CCCCC(N)(N)CC
-8845	mol	CCCCCC(C)C(N)(N)CCCC
-8846	mol	CCCCC(CCC)N(N)C(CC=O)=O
-8847	mol	CCCCCCC(C)NO
-8848	mol	CCCCCCC(CN)OC=O
-8849	mol	CCCC(CCCC(N)OC=O)C(C)CC
-8850	mol	CCCCC(CCC)N(OC=O)C=O
-8851	mol	CCC(C)CCCC(N)(OC=O)C(O)=O
-8852	mol	CCCCCCC(C)N(O)N
-8853	mol	C=C=CC=C=CC#CN(=O)=O
-8854	mol	C=C=CC=C(C=C=C)N(=O)=O
-8855	mol	C=C=CC(C=C=C)=CN(=O)=O
-8856	mol	CC(C)C=C=C(C=C)N(=O)=O
-8857	mol	CC(C)C(CC=C=C)N(=O)=O
-8858	mol	CC(C)CC(C)C(C)N(=O)=O
-8859	mol	CC(C)CCCC(C)N(=O)=O
-8860	mol	CC(CC=C)(C=C)CN(=O)=O
-8861	mol	CCC(C)CC(CC)N(=O)=O
-8862	mol	CCCC=C=CC#CN(=O)=O
-8863	mol	CCCC(C)C(C)CN(=O)=O
-8864	mol	CCCCC(C)C(C)N(=O)=O
-8865	mol	CC(C)(C)C#CC#CO
-8866	mol	CC(C)(C#C)C#CC=O
-8867	mol	CC(C)C=CC=CC=O
-8868	mol	CC(C)C(C=C)=CC=O
-8869	mol	CC(C)C(C(C)(C)C)=O
-8870	mol	CC(C)C(C(C)C)C=O
-8871	mol	CC(C)C(C)(C)C(C)=O
-8872	mol	CC(C)C(C)(C#C)C=O
-8873	mol	CC(C)C(C)C(C)C=O
-8874	mol	CC(C)C(C)CCC=O
-8875	mol	CC(C)C(C#C)C(C)=O
-8876	mol	CC(C)C#CC#CC=O
-8877	mol	CC(C)CC=C(C)C=O
-8878	mol	CC(C)CC=CC=CO
-8879	mol	CC(C)CC(=C)C=CO
-8880	mol	CC(C)CC(=CC)C=O
-8881	mol	CC(C)CC(C(C)C)=O
-8882	mol	CC(C)CC(C)(C)C=O
-8883	mol	CC(C)CC(C)C=CO
-8884	mol	CC(C)CC(C)C(C)=O
-8885	mol	CC(C)CC(C)CC=O
-8886	mol	CC(C)CC(C#C)C=O
-8887	mol	CC(C)CC(CC)=CO
-8888	mol	CC(C)CC(CC)C=O
-8889	mol	CC(C)CC#CC#CO
-8890	mol	CC(C)CCC(C)C=O
-8891	mol	CC(C)CCC(CC)=O
-8892	mol	CC(C)CCCCC=O
-8893	mol	CC(C#C)=C(C#C)C=O
-8894	mol	CC(C#C)C(C#C)C=O
-8895	mol	CC(CC#C)C#CC=O
-8896	mol	CCC(C=C=C)=CC=O
-8897	mol	CCC(C(C)C)CC=O
-8898	mol	CCC(C)(C(C)C)C=O
-8899	mol	CCC(C)(C)C(C)C=O
-8900	mol	CCC(C)(C)C(CC)=O
-8901	mol	CCC(C)(C)CCC=O
-8902	mol	CCC(C)(CC)C(C)=O
-8903	mol	CCC(C)(CC)CC=O
-8904	mol	CCC(C)C=C=CC=O
-8905	mol	CCC(C)C(C(C)C)=O
-8906	mol	CCC(C)C(C)(C)CO
-8907	mol	CCC(C)C(C)(C)C=O
-8908	mol	CCC(C)C(C)CC=O
-8909	mol	CCC(C)C(C#C)C=O
-8910	mol	CCC(C)C(CC)=CO
-8911	mol	CCC(C)C(CC)C=O
-8912	mol	CCC(C)CC(C)C=O
-8913	mol	CCC(C)CC(CC)=O
-8914	mol	CCC(C)CCCC=O
-8915	mol	CCC(C#C)(C#C)C=O
-8916	mol	CCC(CC)(CC)C=O
-8917	mol	CCC(CC)C(C)C=O
-8918	mol	CCC(CC)C(CC)=O
-8919	mol	CCC(CC)CCC=O
-8920	mol	CCCC=C(C#C)C=O
-8921	mol	CCCC=C(CC)C=O
-8922	mol	CCCC(C(C)(C)C)=O
-8923	mol	CCCC(C(C)C)=CO
-8924	mol	CCCC(C(C)C)C=O
-8925	mol	CCCC(C(C)CC)=O
-8926	mol	CCCC(C)(C)C(C)=O
-8927	mol	CCCC(C)(C)CC=O
-8928	mol	CCCC(C)(C#C)C=O
-8929	mol	CCCC(C)(CC)C=O
-8930	mol	CCCC(C)C(C)C=O
-8931	mol	CCCC(C)C(CC)=O
-8932	mol	CCCC(C)CCC=O
-8933	mol	CCCC(C#C)C#CO
-8934	mol	CCCC(CC(C)C)=O
-8935	mol	CCCC(CC)C(C)=O
-8936	mol	CCCC(CC)CC=O
-8937	mol	CCCC(CCC=C)=O
-8938	mol	CCCC(CCC)=CO
-8939	mol	CCCC(CCC)C=O
-8940	mol	CCCC#CC#CC=O
-8941	mol	CCCCC=C(C)C=O
-8942	mol	CCCCC=CC=CO
-8943	mol	CCCCC(=C=C)C=O
-8944	mol	CCCCC(=C)C=CO
-8945	mol	CCCCC(=C)C(C)=O
-8946	mol	CCCCC(C(C)C)=O
-8947	mol	CCCCC(C)CCO
-8948	mol	CCCCC(C)(C)CO
-8949	mol	CCCCC(C)(C)C=O
-8950	mol	CCCCC(C)C(C)=O
-8951	mol	CCCCC(C)CC=O
-8952	mol	CCCCC(C#C)C=O
-8953	mol	CCCCC(CC)=CO
-8954	mol	CCCCC(CC)C=O
-8955	mol	CCCCC(CCC)=O
-8956	mol	CCCCC#CC=CO
-8957	mol	CCCCC#CC#CO
-8958	mol	CCCCCC(C)CO
-8959	mol	CCCCCC(C)C=O
-8960	mol	CCCCCC(CC)=O
-8961	mol	CCCCCCC(C)=O
-8962	mol	CCCCCCCC=O
-8963	mol	CC(C)CC=CC=C(O)C
-8964	mol	CCC(C(C)C)=CC(O)=C
-8965	mol	CCC(C)C(C)(C)C(O)C
-8966	mol	CCC(C)CCCC(O)C
-8967	mol	CCC(CC(C)C)C(O)C
-8968	mol	CCCC(C=C)=CC(O)=C
-8969	mol	CCCC(CC)CC(O)C
-8970	mol	CCCCC(C)C(C)OC
-8971	mol	CCCCC(C)CC(O)C
-8972	mol	CCCCC(CC)COC
-8973	mol	CCCCC(CC)C(O)C
-8974	mol	CCCCCCCC(O)C
-8975	mol	CC(C)C(C)C(CC=O)c1ccccc1
-8976	mol	CCC(C)C(CC)(C=O)c1ccccc1
-8977	mol	CCC(C)C(CC)C(=O)c1ccccc1
-8978	mol	CCCC(C)CC(C=O)c1ccccc1
-8979	mol	CCCCC(C)(C)C(O)C1CCCCC1
-8980	mol	CCCCCCC(CO)C1CCCCC1
-8981	mol	CCCCCCCC(OC1CCCCC1)=O
-8982	mol	CC(C)(C)C=CC(=CO)C=C
-8983	mol	CC(C)(C)C(=C)C(=CO)C=C
-8984	mol	CC(C)CC=CC=C(O)CC
-8985	mol	CC(C)CC=CC=C(O)C=C
-8986	mol	CC(C)CC=CC(=CO)C=C
-8987	mol	CC(C)CC(=C)C=C(O)C=C
-8988	mol	CC(C)CC(=C)C(=CO)C=C
-8989	mol	CC(C)CC(=C)C#COC#C
-8990	mol	CC(C)CC(C=C)=C(O)C=C
-8991	mol	CC(C)CC(C)(C)COC#C
-8992	mol	CC(C)CC(C)C(=CO)C=C
-8993	mol	CC(C)CC(C#C)=C(O)C#C
-8994	mol	CC(C)CC(CC)=C(O)CC
-8995	mol	CC(C)CC(CC)C(O)C=C
-8996	mol	CC(C)CC#CC#COC#C
-8997	mol	CC(C)CCC(C)C(O)C=C
-8998	mol	CC(C)CCC(C)COC#C
-8999	mol	CC(C)CCCC(CO)C=C
-9000	mol	CCC(C=C)=C=C(C=O)C=C
-9001	mol	CCC(C=C)=CC(=CO)C=C
-9002	mol	CCC(C)(C(C#C)C=O)C#C
-9003	mol	CCC(C)C=CC=C(O)CC
-9004	mol	CCC(C)C(C=C)=C(O)C=C
-9005	mol	CCC(C)C(C)C(CO)C=C
-9006	mol	CCC(C)C(C)CC(O)(C)C
-9007	mol	CCC(C)C(C)CC(O)C=C
-9008	mol	CCC(CC=C)C(CO)C=C
-9009	mol	CCCC(C(C)C)=C(O)C=C
-9010	mol	CCCC(C(C)C)(C=O)C=C
-9011	mol	CCCC(CC(C)C)OC#C
-9012	mol	CCCC(CC)CC(=O)C=C
-9013	mol	CCCC(CCC)=C(O)C=C
-9014	mol	CCCC(CCC)(C=O)C=C
-9015	mol	CCCCC=CC=C(O)C=C
-9016	mol	CCCCC=CC(=CO)C=C
-9017	mol	CCCCC(=C)C=C(O)C=C
-9018	mol	CCCCC(C=C)=C(O)C=C
-9019	mol	CCCCC(C)C(C=O)C=C
-9020	mol	CCCCC(C)C(C)OCC
-9021	mol	CCCCC(C#C)=C(O)C=C
-9022	mol	CCCCC(CC)=C(O)CC
-9023	mol	CCCCC(CC)=C(O)C=C
-9024	mol	CCCCC(CC)(C=O)C=C
-9025	mol	CCCCC(CC)C(O)CC
-9026	mol	CCCCC(CC)C(O)(C)C
-9027	mol	CCCCC#CC#COC#C
-9028	mol	CCCCCC(C)COCC
-9029	mol	CCCCCC(C)C(O)CC
-9030	mol	CCCCCCC(C)OCC
-9031	mol	CCCCCCCC(O)CC
-9032	mol	CCCCCCCC(O)(C)C
-9033	mol	CC(C)Cc(cc(C=O)cc1CC)c1C
-9034	mol	CCCCc(cc(C=O)cc1CC)c1C
-9035	mol	CC(C)CC=CC(=C(O)C)C=C
-9036	mol	CC(C)CC=CC(=CO)C=CC
-9037	mol	CC(C)CC=CCC(O)CC=C
-9038	mol	CC(C)CC(=C)C=C(O)C(C)C
-9039	mol	CC(C)CCC(CC=O)CC=C
-9040	mol	CCC(C(C)(C)C)=C(O)C(C)C
-9041	mol	CCC(C)C(CC)C(OC)CC
-9042	mol	CCC(C)CCCC(O)C(C)C
-9043	mol	CCC(C)CCCCOC(C)C
-9044	mol	CCCC(C(C)C)=C(O)C(C)C
-9045	mol	CCCC(C)(CCC)OC(C)C
-9046	mol	CCCC(C)CCC(O)C(C)C
-9047	mol	CCCC(CC)(CC)OC(C)C
-9048	mol	CCCC(CCC)=C(O)C(C)C
-9049	mol	CCCCC=CCC(O)(C)C=C
-9050	mol	CCCCC(C)CCOC(C)C
-9051	mol	CCCCC(CC)C(O)(C)CC
-9052	mol	CCCCC(CC)C(O)C(C)C
-9053	mol	CCCCC(CC)COC(C)C
-9054	mol	CCCCC(CCC)OC(C)C
-9055	mol	CCCCCC(CC)OCCC
-9056	mol	CCCCCCC(C)OC(C)C
-9057	mol	CCCCCCCC(O)CCC
-9058	mol	CCCCCCCC(O)C(C)C
-9059	mol	CCCCCCCCOC(C)C
-9060	mol	CCCC(CC)(CC)OCC(C)C
-9061	mol	CCCCC(CCC)OCC(C)C
-9062	mol	CCCCCC(C)C(O)CCCC
-9063	mol	CCCCCC(C)C(O)C(C)CC
-9064	mol	CCCCCC(C)COCC(C)C
-9065	mol	CCCCCC(CCO)CCCC
-9066	mol	CCCCCCC(CO)CCCC
-9067	mol	CCCCCCCC(O)C(C)CC
-9068	mol	CCCCCCCC(O)CC(C)C
-9069	mol	CCCCCCCC(O)CCCCC
-9070	mol	CCCCCC(CC)OC(C)CCCC
-9071	mol	CCCCCCC(CO)C(CC)CCC
-9072	mol	CCCCCCC(CO)C(C)CCCCC
-9073	mol	CCCCCCC(CO)C(CC)CCCC
-9074	mol	CCCCCCCC(O)C(C)CCCCC
-9075	mol	CCCCCCCC(OCCCC)=O
-9076	mol	CCCCCCCCOC(C(C)C)=O
-9077	mol	CCCCC(CC)C(O)(C)CC=O
-9078	mol	CC(C)(C)C(C)CC(OC#C)=O
-9079	mol	CC(C)CC(C)CC(OC=C)=O
-9080	mol	CCC(C)C(C)(CC)OC(C)=O
-9081	mol	CCC(C)C(CC)C(=O)C(C)=O
-9082	mol	CCC(C)C(CCC=O)CC=O
-9083	mol	CCC(CC)C(C)(C(O)C)C=O
-9084	mol	CCCC(CC)C(C=O)C(C)=O
-9085	mol	CCCC(CC)C(CO)CC=O
-9086	mol	CCCCC(CC)C(O)(C)CO
-9087	mol	CCCCC(CCC=O)CC=O
-9088	mol	CCCCCC(C)(CO)C(C)=O
-9089	mol	CCCCCC(C)COC(C)=O
-9090	mol	CCCCCCC(CO)CC=O
-9091	mol	CCCC(C(CC)C=O)C(CO)C(O)=O
-9092	mol	CCCCCCCC(O)(C)C(=O)N
-9093	mol	CCCCCCCC(OCl)=O
-9094	mol	CCC(CC)C(C)(CO)CN
-9095	mol	CCCC(CC)C(CO)CN
-9096	mol	CCCCCCCC(O)(C)N(C)C=O
-9097	mol	CCCCC(C)C(CO)(CN)CN
-9098	mol	CCCCCCCC(O)(C)NC=O
-9099	mol	CCCCC(C)C(CO)(CN)COC=O
-9100	mol	CC(C)C(C)(C)C#COC=O
-9101	mol	CC(C)C(CC(C)C=O)C=O
-9102	mol	CC(C)C(CC(CC)=O)C=O
-9103	mol	CC(C)C(CCCC=O)C=O
-9104	mol	CC(C)CC=C(CC)OC=O
-9105	mol	CC(C)CC=CC(=CO)C=O
-9106	mol	CC(C)CC(=C)C=COC=O
-9107	mol	CC(C)CC(C(C)C)OC=O
-9108	mol	CC(C)CC(C)(C)C(=O)C=O
-9109	mol	CC(C)CC(CC)=C(O)C=O
-9110	mol	CC(C)CC(CC)C(O)C=O
-9111	mol	CC(C)CC(CCC=O)C=O
-9112	mol	CC(C)CC#CC#COC=O
-9113	mol	CC(C)CCC(C)COC=O
-9114	mol	CC(C)CCC(CC=O)C=O
-9115	mol	CC(C)CCCC(C=O)C=O
-9116	mol	CC(C)CCCCCOC=O
-9117	mol	CC(CCC=C(C)C=O)C=O
-9118	mol	CCC(C(C(C)C)C=O)C=O
-9119	mol	CCC(C(C)(C)C(C)=O)C=O
-9120	mol	CCC(C)(CC(C)C=O)C=O
-9121	mol	CCC(C)(CC)C(CO)C=O
-9122	mol	CCC(C)C(C(C)C=O)C=O
-9123	mol	CCC(C)C(C)C(C=O)C=O
-9124	mol	CCC(C)C(C)C(C)OC=O
-9125	mol	CCC(C)C(C)CCOC=O
-9126	mol	CCC(C)C(CC)C(OC)=O
-9127	mol	CCC(C)C(CC)COC=O
-9128	mol	CCC(C)C#CC#COC=O
-9129	mol	CCC(C)CC(C)(C)OC=O
-9130	mol	CCC(C)CC(CC=O)C=O
-9131	mol	CCC(C)CCC(C=O)C=O
-9132	mol	CCC(C)CCC(C)OC=O
-9133	mol	CCC(C)CCC(CO)C=O
-9134	mol	CCC(C)CCCC(O)C=O
-9135	mol	CCC(CC(C)C)COC=O
-9136	mol	CCC(CCCCC=O)C=O
-9137	mol	CCCC(C(C)C)(C=O)C=O
-9138	mol	CCCC(C(C)CC)OC=O
-9139	mol	CCCC(C)(CCC)OC=O
-9140	mol	CCCC(C#C)C#COC=O
-9141	mol	CCCC(CC(C)C=O)C=O
-9142	mol	CCCC(CC)(CC=O)C=O
-9143	mol	CCCC(CC)(CC)OC=O
-9144	mol	CCCC(CC)CCOC=O
-9145	mol	CCCC(CCC)(C=O)C=O
-9146	mol	CCCCC(=C)C#COC=O
-9147	mol	CCCCC(C(C)C=O)C=O
-9148	mol	CCCCC(C(C)C)OC=O
-9149	mol	CCCCC(C(C)CO)C=O
-9150	mol	CCCCC(C)(C)C(=O)C=O
-9151	mol	CCCCC(C)(CC)OC=O
-9152	mol	CCCCC(C)C(C=O)C=O
-9153	mol	CCCCC(C)C(C)OC=O
-9154	mol	CCCCC(C)CCOC=O
-9155	mol	CCCCC(CC)=C(O)C=O
-9156	mol	CCCCC(CC)(C=O)C=O
-9157	mol	CCCCC(CC)C(=O)C=O
-9158	mol	CCCCC(CC)C(O)C=O
-9159	mol	CCCCC(CC)COC=O
-9160	mol	CCCCC(CCC)OC=O
-9161	mol	CCCCC#CC=COC=O
-9162	mol	CCCCC#CC#COC=O
-9163	mol	CCCCCC(C)(C=O)C=O
-9164	mol	CCCCCC(C)(C)OC=O
-9165	mol	CCCCCC(C)(CO)C=O
-9166	mol	CCCCCC(C)C(=O)C=O
-9167	mol	CCCCCC(C)COC=O
-9168	mol	CCCCCC(CC=O)C=O
-9169	mol	CCCCCC(CC)OC=O
-9170	mol	CCCCCCC(C=O)C=O
-9171	mol	CCCCCCC(C)OC=O
-9172	mol	CCCCCCCC(O)C=O
-9173	mol	CCCCCCCCOC=O
-9174	mol	CCC(C)C(C(C)COC=O)=C
-9175	mol	CC(C)CC(C(CC=O)C=O)C=O
-9176	mol	CCC(CCC(CC(O)C=O)C=O)C(=O)N
-9177	mol	CCCC(C(CC)C=O)C(=O)N
-9178	mol	C=CCC#CC=C(C=O)C(O)=O
-9179	mol	CC(C)C(C)C(C)(C=O)C(O)=O
-9180	mol	CC(C)CC(CC)=C(O)C(O)=O
-9181	mol	CC(C)CCC(C)C(=O)C(O)=O
-9182	mol	CC(C)CCC(C)C(O)C(O)=O
-9183	mol	CCC(C)C(C)C(C)OC(O)=O
-9184	mol	CCC(C)CC(C)(C)OC(O)=O
-9185	mol	CCC(C)CC(CC=O)C(O)=O
-9186	mol	CCC(C)CC(CC)OC(O)=O
-9187	mol	CCCC(C(C)C(C=O)C=O)=O
-9188	mol	CCCC(C(CC)(C=O)C=O)=O
-9189	mol	CCCC(C(CC)COC=O)=O
-9190	mol	CCCC(C)C(C)COC(O)=O
-9191	mol	CCCC(CC(C)(CO)C=O)=O
-9192	mol	CCCC(CC(C)C=O)C(O)=O
-9193	mol	CCCC(CC)(CC)OC(O)=O
-9194	mol	CCCC(CC)C(C=O)C(O)=O
-9195	mol	CCCC(CCC)C(O)C(O)=O
-9196	mol	CCCCC(C=C)C(=O)C(O)=O
-9197	mol	CCCCC(C)(CC)OC(O)=O
-9198	mol	CCCCC(CC(C=O)C=O)=O
-9199	mol	CCCCC(CC)=C(O)C(O)=O
-9200	mol	CCCCC(CCC)OC(O)=O
-9201	mol	CCCCCC(C)C(OC=O)=O
-9202	mol	CC(C)C(C(C)C)C(=O)N
-9203	mol	CCC(C)C(C=C)C(=O)N
-9204	mol	CCCC(C=C)CC(=O)N
-9205	mol	CCCC(C)C=CC(=O)N
-9206	mol	CCCC(C)CCC(=O)N
-9207	mol	CCCC(CC)CC(=O)N
-9208	mol	CCCC(CCC)C(=O)N
-9209	mol	CCCCC(C=C)C(=O)N
-9210	mol	CCCCC(C)CC(=O)N
-9211	mol	CCCCC(CC)CON
-9212	mol	CCCCC(CC)C(=O)N
-9213	mol	CCCCCC(C)CON
-9214	mol	CCCCCC(C)C(=O)N
-9215	mol	CCCCCCCC(=O)N
-9216	mol	CCCCC(C)CC(O)(N)C
-9217	mol	CCCCC(CC)C(=O)NCC
-9218	mol	CCCCCCCC(=O)NCCCC
-9219	mol	CCCCCCCC(=O)NC(CC)CC
-9220	mol	CCCCCCCC(=O)N(C)C(CC)C=O
-9221	mol	CCCCC(C)(C=C)ONC=O
-9222	mol	CCCCC(CC)C(=O)N(O)CC
-9223	mol	CC(C(C#C)C=C)C(O)=O
-9224	mol	CC(C(C#C)C#C)C(O)=O
-9225	mol	CC(C)(C)C=CC=C(O)O
-9226	mol	CC(C)(C)C(C)CC(O)=O
-9227	mol	CC(C)C(C)C(C)C(O)=O
-9228	mol	CC(C)C(C)CCC(O)=O
-9229	mol	CC(C)CC=CC=C(O)O
-9230	mol	CC(C)CC(=CC)C(O)=O
-9231	mol	CC(C)CC(C)(C)C(O)=O
-9232	mol	CC(C)CC(C)CC(O)=O
-9233	mol	CC(C)CC(CC)=C(O)O
-9234	mol	CC(C)CC(CC)C(O)=O
-9235	mol	CC(C)CCC(C)C(O)=O
-9236	mol	CC(C)CCCCC(O)=O
-9237	mol	CC(C#C)C(C#C)C(O)=O
-9238	mol	CC(CCC=C=C)C(O)=O
-9239	mol	CC#CC#CC#CC(O)=O
-9240	mol	CCC=C=C(C=C)C(O)=O
-9241	mol	CCC(C(C)C)CC(O)=O
-9242	mol	CCC(C)=C(CC)C(O)=O
-9243	mol	CCC(C)C(C(C)C=O)=O
-9244	mol	CCC(C)C(C)(C)C(O)=O
-9245	mol	CCC(C)C(C)CC(O)=O
-9246	mol	CCC(C)C(CC)C(O)O
-9247	mol	CCC(C)C(CC)C(O)=O
-9248	mol	CCC(C)CC(C)C(O)O
-9249	mol	CCC(C)CC(C)C(O)=O
-9250	mol	CCC(C)CCCC(O)O
-9251	mol	CCC(C)CCCC(O)=O
-9252	mol	CCC(CC)(C=C)C(O)=O
-9253	mol	CCC(CC)(CC)C(O)=O
-9254	mol	CCC(CC)C(C)C(O)=O
-9255	mol	CCC(CC)CCC(O)=O
-9256	mol	CCC(CCC#C)C(O)=O
-9257	mol	CCC(CCCCC=O)=O
-9258	mol	CCCC=C(C=C)C(O)=O
-9259	mol	CCCC=C(C#C)C(O)=O
-9260	mol	CCCC(=CCC)C(O)=O
-9261	mol	CCCC(C(C)(C)C=O)=O
-9262	mol	CCCC(C(C)C)C(O)=O
-9263	mol	CCCC(C(C)CC=O)=O
-9264	mol	CCCC(C)(C)CC(O)=O
-9265	mol	CCCC(C)(CC)C(O)=O
-9266	mol	CCCC(C)C(C)C(O)=O
-9267	mol	CCCC(C)CCC(O)=O
-9268	mol	CCCC(C#C)=CC(O)=O
-9269	mol	CCCC(CC=C)C(O)=O
-9270	mol	CCCC(CC)CC(O)=O
-9271	mol	CCCC(CCC)C(O)=O
-9272	mol	CCCC#CC#CC(O)=O
-9273	mol	CCCCC(C=C)C(O)=O
-9274	mol	CCCCC(C(C)C=O)=O
-9275	mol	CCCCC(C)(C)C(O)=O
-9276	mol	CCCCC(C)CC(O)=O
-9277	mol	CCCCC(C#C)C(O)=O
-9278	mol	CCCCC(CC)C(O)=O
-9279	mol	CCCCC(CCC=O)=O
-9280	mol	CCCCCC(C)C(O)=O
-9281	mol	CCCCCCCC(O)O
-9282	mol	CCCCCCCC(O)=O
-9283	mol	CC(C)CC(CC)C(O)(O)C
-9284	mol	CC(C)CC=CC(=C(O)O)C=C
-9285	mol	CCCC(C)(C(C)C(O)=O)C=C
-9286	mol	CCCC(CCCC(O)=O)C=C
-9287	mol	CCCCC=CC(=C(O)O)C=C
-9288	mol	CCCCCC(CC(O)=O)C=C
-9289	mol	CC(C)CC(CCC(O)=O)C=O
-9290	mol	CCCCC(C)(CCO)OC=O
-9291	mol	CCCCC(CC)=C(O)OC=O
-9292	mol	CCCCCC(CCO)OC=O
-9293	mol	CCC(C(C)C(C)C(O)=O)=O
-9294	mol	CCC(C)C(C(C)C(O)=O)=O
-9295	mol	CCC(C)C(CC)C(O)(O)O
-9296	mol	CCC(C)C(CC)C(OO)=O
-9297	mol	CCC(CCC(C)C(O)=O)=O
-9298	mol	CCC(CCCCC(O)=O)=O
-9299	mol	CCCC(C(CC)C(O)=O)=O
-9300	mol	CC(C)CC#CC=C[SiH3]
-9301	mol	CCC(CC)C(C)(C)[SiH3]
-9302	mol	CCCCCC(C)C[SiH3]
-9303	mol	CCCC=CC#CC([SiH3])=C
-9304	mol	CC(C)CC=C=CF
-9305	mol	CCC(C=C)=C=CF
-9306	mol	CCC(C)C=C=CF
-9307	mol	CCCCC=C=CF
-9308	mol	CCCCCCC(F)C
-9309	mol	CC(C)CC(C)(CF)C#C
-9310	mol	CCCC(CC)C(F)(F)O
-9311	mol	CCCCCCCl
-9312	mol	CC(C=C)C#CCl
-9313	mol	CC(C)C=C=CCl
-9314	mol	CC(C)CC=CCl
-9315	mol	CC(C)CC#CCl
-9316	mol	CCC#CC=CCl
-9317	mol	CCCC=C=CCl
-9318	mol	CCCC(C)CCl
-9319	mol	CCCC(C)(C)Cl
-9320	mol	CCCCC#CCl
-9321	mol	CCCC=C=C(Cl)Br
-9322	mol	CCCCC(CCl)C1CC=CO1
-9323	mol	CCCCCC(Cl)CC
-9324	mol	CCCC=C=C(Cl)C=C=C
-9325	mol	CCCCC(CCl)C(C)C
-9326	mol	CCCCCC(Cl)CCC
-9327	mol	CCCCCC(Cl)(CC)CCCC
-9328	mol	CCCCC(C(Cl)CC)C(CC)CC
-9329	mol	CCCCC=C(Cl)C(C[SiH3])C=C
-9330	mol	CCCCC(=CCl)C#N
-9331	mol	CCC(C)C(=CCl)C(O)=O
-9332	mol	CCCC(=C=CCl)N(=O)=O
-9333	mol	C=C=CC#CC(=C)N
-9334	mol	CC(C)CC(=C)C#N
-9335	mol	CCC(C(C)C)C#N
-9336	mol	CCC#CC=CC#N
-9337	mol	CCCC=C=CC#N
-9338	mol	CCCCC=CC#N
-9339	mol	CCCCC(=C)C#N
-9340	mol	CCCCC(C)CN
-9341	mol	CCC=Cc(ccn1)cc1Br
-9342	mol	CCC(C)c(ccn1)cc1[SiH3]
-9343	mol	CCCC(CC)C(N)C
-9344	mol	CCCCC(C)C(N)C
-9345	mol	CCCCCCC(N)C
-9346	mol	CCCCCCC(N)c1ccccc1
-9347	mol	CCCCCCCNC1CCCCCCC1
-9348	mol	CCC(CC)CC(N)(C)C
-9349	mol	CCCC(CC)C(N)CC
-9350	mol	CCCCC(C)(CN)C=C
-9351	mol	CCCCC(C)C(N)CC
-9352	mol	CCCCCC(C)NCC
-9353	mol	CCCCCC(CN)CC
-9354	mol	CCCCCCC(N)CC
-9355	mol	CCCCCCC(N)(C)C
-9356	mol	CCCCC(C)C(N)Cc1ccccc1
-9357	mol	CCCCC(C)C(N)CC1CCCCC1
-9358	mol	CCCCCCC(N)CC1CCCCC1
-9359	mol	CCC(C)C(=CC#N)C=C=C
-9360	mol	CCC(CC)C(CN)C(C)C
-9361	mol	CCCC(CC)C(N)C(C)C
-9362	mol	CCCCC(C)(CN)CCC
-9363	mol	CCCCC(C)C(N)CCC
-9364	mol	CCCCC(C)C(N)C(C)C
-9365	mol	CCCCC(CCN)CCC
-9366	mol	CCCCCCC(N)C(C)C
-9367	mol	CCCC(CC)C(N)C(C)CC
-9368	mol	CCCCC(CC)NCC(C)C
-9369	mol	CCCCCC(C)NC(C)(C)C
-9370	mol	CCCCCC(C)NCC(C)C
-9371	mol	CCCCCC(CN)C(C)CC
-9372	mol	CCCCCCC(N)CCCC
-9373	mol	CCCCCCC(N)CC(C)C
-9374	mol	CCCCCCCNCC(C)C
-9375	mol	CCCCCC(CN)CC(C)CC
-9376	mol	CCCCCC(CN)CCC(C)C
-9377	mol	CCCCCCC(N)CCCCC
-9378	mol	CCCCCCC(N)(C)C(C)(C)C
-9379	mol	CCCCCCC(N)C(CC)CC
-9380	mol	CCCCC(C)C(N)C(C)CCCC
-9381	mol	CCCCC(CC)N(CC)CC(C)C
-9382	mol	CCCCC(CC)NCC(C)CCC
-9383	mol	CCCCCCC(N)C(C)CCCC
-9384	mol	CCCCCCC(N)C(CC)CCC
-9385	mol	CCCCCCC(N)CC(CC)CC
-9386	mol	CCCCCCC(N)(C(C)C)C(C)CC
-9387	mol	CCCCCCC(N)C(C)CCC(C)C
-9388	mol	CCCCCC(C)N(CC(C)C)CC(C)C
-9389	mol	CCCCCCC(N)C(CCC)CCCC
-9390	mol	CCCCCCCN(CC(C)C)CC(C)C
-9391	mol	CCCCCCCN(C(C)CCCC)N
-9392	mol	CCCCCCCNC(CCCCC)=O
-9393	mol	CCCC(CC)CNC(CCCC)=O
-9394	mol	CCCCCCCN(CC)C(Cl)=O
-9395	mol	CCCCC(C)C(N)C(C)(C)C=O
-9396	mol	CCCCC(C)C(N)C(C)CC(O)=O
-9397	mol	CCCCC(CC)N(CC)C(=O)N
-9398	mol	CCCCCC(C)NCCC(O)=O
-9399	mol	CCCCCCC(N)C(C)NC=O
-9400	mol	CCCC(CC)C(N)(C)C(N)(N)N
-9401	mol	CCCC(CC)CNC(CN)=O
-9402	mol	CCCC(CC)C(N)C(C=O)C(O)=O
-9403	mol	CCCCCCC(N)C(C=O)C(O)=O
-9404	mol	CCCC(C(C)C(N)C)C(O)=O
-9405	mol	CCCC(CC)C(N)CC(O)=O
-9406	mol	CCCCC(CC(N)C)(C(O)=O)C(O)=O
-9407	mol	CCCCC(C)C(N)CN
-9408	mol	CCCCCC(C)N(C)N
-9409	mol	CCCCCCC(N)CN
-9410	mol	CCCCC(C)C(N)CNC
-9411	mol	CCCC(C)C(CN)(CN)CC(O)=O
-9412	mol	CCCCCCC(N)C(N)C=O
-9413	mol	CCCCCCC(N)C(N)C(O)=O
-9414	mol	CCCCCCC(N)(C(N)C(O)=O)C(=O)N
-9415	mol	CCCCCCC(N)C(N)(N)N
-9416	mol	CC(C)C(CC=C)NC=O
-9417	mol	CC(C)CCC(C)NC=O
-9418	mol	CC(C)CCCCNC=O
-9419	mol	CCC(C)C(C=C)NC=O
-9420	mol	CCC(C)CCCNC=O
-9421	mol	CCC(CC)C(C)NC=O
-9422	mol	CCCC(C(C)C(N)C)=O
-9423	mol	CCCC(CC)CNC=O
-9424	mol	CCCC(CCC)NC=O
-9425	mol	CCCCC(C=C)NC=O
-9426	mol	CCCCC(CC)NC=O
-9427	mol	CCCCCCCNC=O
-9428	mol	CCCCCC(CN)COC=O
-9429	mol	CCCCCCC(N)C(O)C=O
-9430	mol	CCCC(CC)CNC(=O)N
-9431	mol	CCCCCCCNC(=O)N
-9432	mol	CCCCC(CC)N(C(=O)N)C(=O)C=O
-9433	mol	CCCCCCCNC(=O)N(N)NCC
-9434	mol	CC(C)C(C)(C)C(N)C(O)=O
-9435	mol	CCCCC(C)C(N)C(O)=O
-9436	mol	CCCCCCCNC(O)=O
-9437	mol	CCCCCCCNN
-9438	mol	CCCC(C)C(C)NN
-9439	mol	CCCCC(CC)NN
-9440	mol	CCCCCC(C)NN
-9441	mol	CCCCCCC(N)N
-9442	mol	CCCCC(C)C(N)(N)C
-9443	mol	CCCCC(CC)NNC
-9444	mol	CCCCCC(C(N)N)C1CCCCC1
-9445	mol	CCCCCCC(N)(N)C1CCCCC1
-9446	mol	CCCCCCC(N)(N)CC(C)C
-9447	mol	CCCCC(C)C(N)(N)C(CC)CC
-9448	mol	CCCC(CC)C(N)(N)C(N)(C)C(C)C
-9449	mol	CCCC(CC)C(N)(N)C(N)(N)C
-9450	mol	CCCCCCC(N)(N)C(N)(N)C(N)(N)C
-9451	mol	CCCCCCC(N)(N)C(N)(N)N
-9452	mol	CCCC(CC)C(N)NC(=O)N
-9453	mol	CCCCC(CC)N(N)C(=O)N
-9454	mol	CCCCCCCN(N)C(=O)N
-9455	mol	CCCCCCCNNC(=O)N
-9456	mol	CCCCC(CC(N)N)C(O)=O
-9457	mol	CCCCC(CC)N(N)C(O)=O
-9458	mol	CCCCC(CC(N)N)NC=O
-9459	mol	CCCC(CC)C(N)N(NC=O)C(=O)N
-9460	mol	CCCCC(CC)NNO
-9461	mol	CCCC(C)CC(N)N(O)CC
-9462	mol	CCCC(C)C(CN)=O
-9463	mol	CCCCCC(C)N(O)Br
-9464	mol	CCCC(CCC)N(O)c1ccccc1
-9465	mol	CCCC(C)CCN(O)CC
-9466	mol	CCCC(CC)CN(O)CC
-9467	mol	CCCC(CCC)N(O)CC
-9468	mol	CCCCC(C)CN(O)CC
-9469	mol	CCCCC(CC)NOC(C(N)C(C)C)=O
-9470	mol	CCCCCC(C)NOC(=O)N
-9471	mol	CCCCC(CC)NOC(=O)NN
-9472	mol	CCCCCC(C)NOC(=O)NN
-9473	mol	CCCC(C)C(C)N(O)N
-9474	mol	C=CC(C=C)=C=CN(=O)=O
-9475	mol	CC(C)C(CC#C)N(=O)=O
-9476	mol	CC(CC#C)C(C)N(=O)=O
-9477	mol	CCC(C=C=C)=CN(=O)=O
-9478	mol	CCCCC(CC)N(=O)=O
-9479	mol	C=C=CC=C=CC=O
-9480	mol	C=C=CC(=C=C)C=O
-9481	mol	C=CC=C(C#C)C=O
-9482	mol	C=CC#CC=CC=O
-9483	mol	C#CC=C(C#C)C=O
-9484	mol	C#CC(CC=C)C=O
-9485	mol	C#CC#CC=CC=O
-9486	mol	C#CC#CC(=C)C=O
-9487	mol	C#CC#CC#CC=O
-9488	mol	C#CCC(C#C)C=O
-9489	mol	C#CCCCCC=O
-9490	mol	CC(C=C)C#CC=O
-9491	mol	CC(C)=C(C#C)C=O
-9492	mol	CC(C)(C)C#CC=O
-9493	mol	CC(C)(CC=C)C=O
-9494	mol	CC(C)C=CC=CO
-9495	mol	CC(C)C(C(C)C)=O
-9496	mol	CC(C)C(C)(C)C=O
-9497	mol	CC(C)C(C)C(C)=O
-9498	mol	CC(C)C(C)CC=O
-9499	mol	CC(C)C(C#C)C=O
-9500	mol	CC(C)CC=C=CO
-9501	mol	CC(C)CC=CC=O
-9502	mol	CC(C)CC(=C)C=O
-9503	mol	CC(C)CC(C)=CO
-9504	mol	CC(C)CC(C)C=O
-9505	mol	CC(C)CC(CC)=O
-9506	mol	CC(C)CC#CC=O
-9507	mol	CC(C)CCC(C)=O
-9508	mol	CC(C)CCCC=O
-9509	mol	CC(C#C)=C(C)C=O
-9510	mol	CC(C#C)(C#C)C=O
-9511	mol	CC(CC#C)CC=O
-9512	mol	CC(CCC=C)C=O
-9513	mol	CC(CCC#C)C=O
-9514	mol	CCC=C(C#C)C=O
-9515	mol	CCC=C(CC)C=O
-9516	mol	CCC=CC#CC=O
-9517	mol	CCC(=C(C)C)C=O
-9518	mol	CCC(C(C)(C)C)=O
-9519	mol	CCC(C(C)C)=CO
-9520	mol	CCC(C(C)C)C=O
-9521	mol	CCC(C(C)C#C)=O
-9522	mol	CCC(C)(C)C(C)=O
-9523	mol	CCC(C)(C)CC=O
-9524	mol	CCC(C)(C#C)C=O
-9525	mol	CCC(C)(CC)C=O
-9526	mol	CCC(C)C=CC=O
-9527	mol	CCC(C)C(=C)C=O
-9528	mol	CCC(C)C(C)=CO
-9529	mol	CCC(C)C(C)C=O
-9530	mol	CCC(C)C(CC)=O
-9531	mol	CCC(C)C#CC=O
-9532	mol	CCC(C)CC(C)=O
-9533	mol	CCC(C)CCC=O
-9534	mol	CCC(CC=C)C=O
-9535	mol	CCC(CC)=CC=O
-9536	mol	CCC(CC)C(C)=O
-9537	mol	CCC(CC)CC=O
-9538	mol	CCC(CC#C)C=O
-9539	mol	CCC(CCC#C)=O
-9540	mol	CCC#CC#CC=O
-9541	mol	CCCC=CC=CO
-9542	mol	CCCC(=CC)C=O
-9543	mol	CCCC(C(C)C)=O
-9544	mol	CCCC(C)=CC=O
-9545	mol	CCCC(C)(C)C=O
-9546	mol	CCCC(C)C(C)=O
-9547	mol	CCCC(C)CC=O
-9548	mol	CCCC(C#C)C=O
-9549	mol	CCCC(CC=C)=O
-9550	mol	CCCC(CC)C=O
-9551	mol	CCCC(CCC)=O
-9552	mol	CCCC#CC#CO
-9553	mol	CCCCC=CC=O
-9554	mol	CCCCC(=C)C=O
-9555	mol	CCCCC(C)CO
-9556	mol	CCCCC(C)=CO
-9557	mol	CCCCC(C)C=O
-9558	mol	CCCCC(CC)=O
-9559	mol	CCCCC#CC=O
-9560	mol	CCCCCC(C)=O
-9561	mol	CCCCCCC=O
-9562	mol	CC(C)CC(CCO1)=C1CC
-9563	mol	CC(C)CCCC(O)Br
-9564	mol	CC(C)CC=CC(O)C
-9565	mol	CC(C)CC=CC(O)=C
-9566	mol	CC(C)CC(=C)C(O)=C
-9567	mol	CCC(C(C)C)=C(O)C
-9568	mol	CCC(C)(C)CC(O)C
-9569	mol	CCC(C)C(C)C(O)C
-9570	mol	CCCC=CC=C(O)C
-9571	mol	CCCC(C)C(C)OC
-9572	mol	CCCC(C)CC(O)C
-9573	mol	CCCC(CC)=C(O)C
-9574	mol	CCCC(CC)C(O)C
-9575	mol	CCCCC=CC(O)=C
-9576	mol	CCCCC(=C)C(O)=C
-9577	mol	CCCCC(C)COC
-9578	mol	CCCCC(C)C(O)C
-9579	mol	CCCCCC(C)OC
-9580	mol	CCCCCCC(O)C
-9581	mol	CCCCCCc(oc1)cc1C
-9582	mol	CC(C)Cc(c(C)oc1C)c1O
-9583	mol	CCC(C)c(c(C)oc1C)c1O
-9584	mol	CCCCc(c(C)oc1C)c1O
-9585	mol	CC(C)C(C)CC(=O)c1ccccc1
-9586	mol	CC(C)CCCC(=O)c1ccccc1
-9587	mol	CCC(C(C)C)C(=O)c1ccccc1
-9588	mol	CCC(C)C(CC=O)c1ccccc1
-9589	mol	CCC(C)CCC(=O)c1ccccc1
-9590	mol	CCC(CC)C(C=O)c1ccccc1
-9591	mol	CCC(CC)C(C)Oc1ccccc1
-9592	mol	CCC(CCCC=O)c1ccccc1
-9593	mol	CCCC(C)CC(=O)c1ccccc1
-9594	mol	CCCC(CC)C(=O)c1ccccc1
-9595	mol	CCCC(CCC=O)c1ccccc1
-9596	mol	CCCCC(C)(C=O)c1ccccc1
-9597	mol	CCCCC(CC=O)c1ccccc1
-9598	mol	CCCCCCC(=O)c1ccccc1
-9599	mol	CCCCCC(CO)C1CCCCC1
-9600	mol	CCC(CCCC=O)c1ccccc1O
-9601	mol	CCCCCCC(OC1CCCCC1)=O
-9602	mol	CCCC(C)CC(O)C1CCCCCCC1
-9603	mol	CC(C)C(C)c(coc1N)c1O
-9604	mol	CCC(C)c(c(C)oc1O)c1O
-9605	mol	C=C=CC=C=C(C=O)C=C
-9606	mol	C=CC=C(C=C)C(=O)C=C
-9607	mol	C#CC#CC#CC(=O)C=C
-9608	mol	CC(C)(C=C)C(=CO)C=C
-9609	mol	CC(C)(C(C#C)C=O)C=C
-9610	mol	CC(C)(C)C=CC(O)C=C
-9611	mol	CC(C)C=CC=C(O)CC
-9612	mol	CC(C)C(C#C)C(=O)C=C
-9613	mol	CC(C)C(C#C)C(=O)C#C
-9614	mol	CC(C)CC=CC(O)=CC
-9615	mol	CC(C)CC=CC(O)C=C
-9616	mol	CC(C)CC(=C)C(O)=CC
-9617	mol	CC(C)CC(C)=C(O)CC
-9618	mol	CC(C)CC(C)=C(O)C=C
-9619	mol	CC(C)CC(C)C(O)C=C
-9620	mol	CC(C)CC#CC(=O)C#C
-9621	mol	CC(C)CCC(=CO)C=C
-9622	mol	CC(C)CCC(C)OC#C
-9623	mol	CCC=CC#CC(=O)C=C
-9624	mol	CCC(C(C)C)(C=O)C=C
-9625	mol	CCC(C(C)CC=O)C#C
-9626	mol	CCC(C)C=C(C=O)C=C
-9627	mol	CCC(C)C=CC(=O)C=C
-9628	mol	CCC(C)C(C)(C=O)C=C
-9629	mol	CCC(CC#C)C(=O)C=C
-9630	mol	CCC(CC#C)C(=O)C#C
-9631	mol	CCCC=CC(=CO)C=C
-9632	mol	CCCC(=C)C=C(O)C=C
-9633	mol	CCCC(=C)C(=CO)C=C
-9634	mol	CCCC(C)(CC=O)C=C
-9635	mol	CCCC(C)CC(=O)C=C
-9636	mol	CCCC(C)CC(O)CC
-9637	mol	CCCC(CC)=COC=C
-9638	mol	CCCC(CC)(C=O)C=C
-9639	mol	CCCC(CC)C(O)(C)C
-9640	mol	CCCC(CC)C(O)C=C
-9641	mol	CCCCC=C(C=O)C=C
-9642	mol	CCCCC=CC(O)=CC
-9643	mol	CCCCC(=C)C(O)=CC
-9644	mol	CCCCC(C)=C(O)C=C
-9645	mol	CCCCC(C)(C=O)C=C
-9646	mol	CCCCC(C)(C)OCC
-9647	mol	CCCCC(C)(C)OC=C
-9648	mol	CCCCC(C)(CO)CC
-9649	mol	CCCCC(C)(CO)C=C
-9650	mol	CCCCC(C)C(O)CC
-9651	mol	CCCCC(CC=O)C#C
-9652	mol	CCCCC(CC)OCC
-9653	mol	CCCCC(CCO)C#C
-9654	mol	CCCCCC(C)OCC
-9655	mol	CCCCCC(CO)CC
-9656	mol	CCCCCCC(O)(C)C
-9657	mol	CCCc(cc(C=O)cc1CC)c1C
-9658	mol	CCC(C(CC)C=O)Cc1ccccc1
-9659	mol	CCC(C(C)C)C(O)(C)C1CCCCC1
-9660	mol	C=C=CC=C=C(C=O)C=C=C
-9661	mol	CC(C)(C)C=CC(O)=CC=C
-9662	mol	CC(C)CC=CC(O)=CCC
-9663	mol	CC(C)CC=CC(O)=CC=C
-9664	mol	CC(C)CC=CC(O)(C)C=C
-9665	mol	CC(C)CC=CC(O)C(C)C
-9666	mol	CC(C)CC(=C)C(O)=CC=C
-9667	mol	CC(C)CC(C)=C(O)C(C)C
-9668	mol	CC(C)CC(CC=O)CC=C
-9669	mol	CC(C)CCC(C)OC(C)C
-9670	mol	CCC(C)C(C)C(O)C(C)C
-9671	mol	CCC(C)C(CC)OC(C)C
-9672	mol	CCC(C)CCC(O)C(C)C
-9673	mol	CCC(C)CCCOC(C)C
-9674	mol	CCC(CC#C)C(O)=CC=C
-9675	mol	CCCC(C)(C)COC(C)C
-9676	mol	CCCC(C)(CC)OC(C)C
-9677	mol	CCCC(CC)C(O)C(C)C
-9678	mol	CCCC(CC)COC(C)C
-9679	mol	CCCC(CCC)OC(C)C
-9680	mol	CCCCC=CC(O)=CC=C
-9681	mol	CCCCC(C)=C(O)CCC
-9682	mol	CCCCC(C)(C)OC(C)C
-9683	mol	CCCCC(C)C(O)C(C)C
-9684	mol	CCCCC(C)C(OC)CC
-9685	mol	CCCCC(C)COC(C)C
-9686	mol	CCCCC(CCO)CCC
-9687	mol	CCCCC(CCO)C(C)C
-9688	mol	CCCCCC(C)OC(C)C
-9689	mol	CCCCCC(CO)CCC
-9690	mol	CCCCCC(CO)CC#C
-9691	mol	CCCCCCC(O)CCC
-9692	mol	CCCCCCC(O)C(C)C
-9693	mol	CCCCCCCOC(C)C
-9694	mol	CCC(CCCC=O)c(cc1)ccc1O
-9695	mol	CC(C)CC=CC(O)=CC=CC
-9696	mol	CC(C)CC=CC(O)=CC(C)C
-9697	mol	CC(C)CC=CC(O)(CC)C=C
-9698	mol	CC(C)CC(=C)C(O)=C(C)C=C
-9699	mol	CC(C)CC(CC=O)(C=C)C=C
-9700	mol	CC(C#C)CCC(O)=C(C)C#C
-9701	mol	CCC(C)C(C)=C(O)CC(C)C
-9702	mol	CCC(C)C#CC(=O)C#CCC
-9703	mol	CCC(C)CC(CO)C(C)CC
-9704	mol	CCC(C)CCC(O)(C)C(C)C
-9705	mol	CCCC(=C)C(=C(O)CC)C=C
-9706	mol	CCCC(C)C(C)OC(C)CC
-9707	mol	CCCC(CC)C(O)C(C)CC
-9708	mol	CCCCC(=C)C(O)=CCCC
-9709	mol	CCCCC(C)=C(O)C(C)CC
-9710	mol	CCCCC(C)=C(O)CC(C)C
-9711	mol	CCCCC(C)(C(O)(C)C)C=C
-9712	mol	CCCCC(C)(C)OC(C)CC
-9713	mol	CCCCC(C)(CO)C(C)CC
-9714	mol	CCCCC(C)COC(C)CC
-9715	mol	CCCCC(CC(O)(C)C=C)=C
-9716	mol	CCCCC(CC(O)C)C(C)C
-9717	mol	CCCCC(CC)OC(C)CC
-9718	mol	CCCCC(CCO)CCCC
-9719	mol	CCCCCC(C(O)C)C(C)C
-9720	mol	CCCCCC(C)OC(C)CC
-9721	mol	CCCCCC(CO)CCCC
-9722	mol	CCCCCC(CO)CC(C)C
-9723	mol	CCCCCCC(O)CCCC
-9724	mol	CCCCCCC(O)C(C)CC
-9725	mol	CCC(CCCC=O)c(ccc1)cc1O
-9726	mol	CCCC(CC)C(O)(CC)C(C)C
-9727	mol	CCC(C)CCC(O)(CC)C(C)CC
-9728	mol	CCCCCCC(O)(C)CC(C)CCCC
-9729	mol	CCCCC(CC)(OCC(C)C)C=O
-9730	mol	CCCCCC(C)OC(CC(C)C)=O
-9731	mol	CCCCCCC(OCCCC)=O
-9732	mol	CCC(C)C=C(C=O)C#CCl
-9733	mol	CCCCCCC(O)CCCN
-9734	mol	CC(C)C(C)CC(O)(C)C(C)=O
-9735	mol	CC(C)C(C)CC(O)(CC)C=O
-9736	mol	CC(C)C(CCC=O)C(C)C=O
-9737	mol	CC(C)CC(C=CO)=CC=CO
-9738	mol	CCC(C)CCC(O)(CC)C=O
-9739	mol	CCCC(C)(CC)OC(C)CO
-9740	mol	CCCC(CC)C(=O)C(CC)=O
-9741	mol	CCCC(CC)C(O)(C)CC=O
-9742	mol	CCCCC(CC(O)C(C)C)=O
-9743	mol	CCCCC(CC)(OCC)C=O
-9744	mol	CCCCC#CC(=O)C#CC=O
-9745	mol	CCCCCC(C)(OCC)C=O
-9746	mol	CCCCCC(CO)(CC)C=O
-9747	mol	CC(C)CCC(CO)C(Cl)C=C
-9748	mol	CCCCCCCOC(Cl)=O
-9749	mol	CC(C)C(C)(CC=O)C(C)=O
-9750	mol	CC(C)C(C)C(C)(OC)C=O
-9751	mol	CC(C)C(C)CC(O)(C)C=O
-9752	mol	CC(C)CC=CC(OC=C)=O
-9753	mol	CC(C)CC#CC(OC=C)=O
-9754	mol	CC(C)CC#CC(OC#C)=O
-9755	mol	CC(C)CCC(C)(OC)C=O
-9756	mol	CC(CC#C)CC(OC=C)=O
-9757	mol	CC(CCC#C)C(OC#C)=O
-9758	mol	CCC(C(C)CC=O)CC=O
-9759	mol	CCC(C)C#CC(OC#C)=O
-9760	mol	CCC(CC)C(C(O)C)C=O
-9761	mol	CCCC(C(C)(CO)CC)=O
-9762	mol	CCCC(C)C(C)(OC)C=O
-9763	mol	CCCC(C)CC(O)(C)C=O
-9764	mol	CCCC(CC)(C=O)C(C)=O
-9765	mol	CCCC(CC)(C(O)C)C=O
-9766	mol	CCCCC=CC(OC#C)=O
-9767	mol	CCCCC(C(CO)CC)=O
-9768	mol	CCCCC(C)C(O)(C)C=O
-9769	mol	CCCCC(CC=O)CC=O
-9770	mol	CCCCC(CC(O)C)C=O
-9771	mol	CCCCC#CC(=O)C#CO
-9772	mol	CCCCC#CC(OC#C)=O
-9773	mol	CCCCCC(C)(OC)C=O
-9774	mol	CCCCCCC(O)CC=O
-9775	mol	CC(C)CCC(CO)CC(O)=O
-9776	mol	CCCC(C(CC=O)CC=O)=O
-9777	mol	CCCCC(C)C(O)CN
-9778	mol	C=CCC(C#C)(C=O)C=O
-9779	mol	C#CCC(C#C)(C=O)C=O
-9780	mol	CC(C)(C)C=C(C=O)C=O
-9781	mol	CC(C)(C)C=CC(O)=CO
-9782	mol	CC(C)(CCCC=O)C=O
-9783	mol	CC(C)C(C(C)C=O)C=O
-9784	mol	CC(C)C(C(C)C)OC=O
-9785	mol	CC(C)C(C)C(C=O)C=O
-9786	mol	CC(C)C(C#C)C(=O)C=O
-9787	mol	CC(C)C(CCC=O)C=O
-9788	mol	CC(C)CC=CC(O)=CO
-9789	mol	CC(C)CC(=C)C(O)=CO
-9790	mol	CC(C)CC(C)(C)OC=O
-9791	mol	CC(C)CC(CC=O)C=O
-9792	mol	CC(C)CCC(C=O)C=O
-9793	mol	CC(C)CCC(C)OC=O
-9794	mol	CC(C)CCC(CO)C=O
-9795	mol	CC(C)CCC#COC=O
-9796	mol	CC(C)CCCC(O)C=O
-9797	mol	CC(CC=C)CC(=O)C=O
-9798	mol	CCC(C(C)C(C)=O)C=O
-9799	mol	CCC(C(C)C)C(O)C=O
-9800	mol	CCC(C(C)C)COC=O
-9801	mol	CCC(C(C)CC=O)C=O
-9802	mol	CCC(C(CC)C=O)C=O
-9803	mol	CCC(C)C(C)(C)OC=O
-9804	mol	CCC(C)C(C)(CO)CO
-9805	mol	CCC(C)C(C)(CO)C=O
-9806	mol	CCC(C)C(C)C(O)C=O
-9807	mol	CCC(C)C(C)COC=O
-9808	mol	CCC(C)C(CC=O)C=O
-9809	mol	CCC(C)C(CC)OC=O
-9810	mol	CCC(C)CC(C=O)C=O
-9811	mol	CCC(C)CC(C)OC=O
-9812	mol	CCC(C)CCC(=O)C=O
-9813	mol	CCC(C)CCCOC=O
-9814	mol	CCC(CC(C)C=O)C=O
-9815	mol	CCC(CC(C)C)OC=O
-9816	mol	CCC(CC)(CC)OC=O
-9817	mol	CCC(CC)C(C=O)C=O
-9818	mol	CCC(CC)C(CO)C=O
-9819	mol	CCC(CC)CCOC=O
-9820	mol	CCC(CCCC=O)C=O
-9821	mol	CCCC(C(C)C=O)C=O
-9822	mol	CCCC(C(C)C)OC=O
-9823	mol	CCCC(C(C)CO)C=O
-9824	mol	CCCC(C)(C)C(=O)C=O
-9825	mol	CCCC(C)(C)COC=O
-9826	mol	CCCC(C)(CC=O)C=O
-9827	mol	CCCC(C)C(C)OC=O
-9828	mol	CCCC(C)CCOC=O
-9829	mol	CCCC(C#C)(C=O)C=O
-9830	mol	CCCC(CC)(C=O)C=O
-9831	mol	CCCC(CC)C(=O)C=O
-9832	mol	CCCC(CC)C(O)C=O
-9833	mol	CCCC(CC)COC=O
-9834	mol	CCCC(CCC=O)C=O
-9835	mol	CCCC(CCC)OC=O
-9836	mol	CCCC#CC#COC=O
-9837	mol	CCCCC(C)(C=O)C=O
-9838	mol	CCCCC(C)(C)OC=O
-9839	mol	CCCCC(C)(CO)C=O
-9840	mol	CCCCC(C)C(=O)C=O
-9841	mol	CCCCC(C)C(OC)=O
-9842	mol	CCCCC(CC=O)C=O
-9843	mol	CCCCC(CC(O)C)=O
-9844	mol	CCCCC(CC)OC=O
-9845	mol	CCCCC(CCO)C=O
-9846	mol	CCCCC#CC(OC)=O
-9847	mol	CCCCCC(C=O)C=O
-9848	mol	CCCCCC(C)OC=O
-9849	mol	CCCCCC(CO)C=O
-9850	mol	CCCCCC#COC=O
-9851	mol	CCCCCCC(=O)C=O
-9852	mol	CCCCCCC(O)C=O
-9853	mol	CCCCCCCOC=O
-9854	mol	CC(C)CC#CC(OC=O)=C
-9855	mol	CCCC(C(C)C=O)(C=O)c1ccccc1
-9856	mol	CC(C)(C)C=CC(O)=C(O)C=C
-9857	mol	CC(C)C(C#C)C(=O)C(=O)C#C
-9858	mol	CC(C)CC=CC(O)=C(O)CC
-9859	mol	CC(C)CC=CC(O)=C(O)C=C
-9860	mol	CC(C)CC(CCOC=O)C=C
-9861	mol	CCCCCCC(O)=C(O)C=C
-9862	mol	CC(C)C(C(C)(C)OC=O)C=O
-9863	mol	CCC(C(C)C)C(OC=O)C=O
-9864	mol	CCC(C)C(C)C(OC=O)C=O
-9865	mol	CCC(C)CCC(O)(CO)C=O
-9866	mol	CCCC(CC(C)OC=O)C=O
-9867	mol	CCCCC(CC=O)(C=O)C=O
-9868	mol	CCCCCCCOC(OC=O)=O
-9869	mol	CCCCC(CC=O)C(=O)N
-9870	mol	CCC(CC)C(C=O)(C=O)N(N)C(O)=O
-9871	mol	C=CCC(C=C)C(=O)C(O)=O
-9872	mol	CC(C)(C)C#CC(=O)C(O)=O
-9873	mol	CC(C)C(CC(C=O)C=O)=O
-9874	mol	CC(C)CC(C)COC(O)=O
-9875	mol	CC(CC=C)CC(=O)C(O)=O
-9876	mol	CCC(C(C)C)=C(O)C(O)=O
-9877	mol	CCC(C)(C(C)C=O)C(O)=O
-9878	mol	CCC(C)CC(C=O)C(O)=O
-9879	mol	CCC(C)CC(CO)C(O)=O
-9880	mol	CCC(CC)(CC)OC(O)=O
-9881	mol	CCCC(C(C)C(O)C=O)=O
-9882	mol	CCCC(C(CC)OC=O)=O
-9883	mol	CCCC(C)(CC)OC(O)=O
-9884	mol	CCCC(CC)(C=O)C(O)=O
-9885	mol	CCCC(CC)COC(O)=O
-9886	mol	CCCCC=CC(OC=O)=O
-9887	mol	CCCCC(CC)OC(O)=O
-9888	mol	CCCCCC(C=O)C(O)=O
-9889	mol	CCCCCC(C)OC(O)=O
-9890	mol	CCCCCCC(=O)C(O)=O
-9891	mol	CCCCCCC(O)C(O)=O
-9892	mol	CC(C)CC#CC(OC(O)=O)=O
-9893	mol	CCCC(CC)C(=O)N
-9894	mol	CCCCC(C)C(=O)N
-9895	mol	CCCCCC(C)ON
-9896	mol	CCCCCCC(=O)N
-9897	mol	CCCCCCC(=O)NC1CCCCC1
-9898	mol	CCCCCCC(O)(N)CC1CCCCC1
-9899	mol	CCCCCCC(=O)NC(C)CC
-9900	mol	CCCCCCC(=O)NCCCCC
-9901	mol	CCCCCCC(=O)N(CCC)C(C)C
-9902	mol	CCCC(CCC)ONC(CCC)=O
-9903	mol	CCCCCCC(=O)N(CC)N
-9904	mol	CCC(CCCC(=O)N)C(O)=O
-9905	mol	CCCCCCC(=O)NC(O)=O
-9906	mol	CCCC(CC)C(=O)NO
-9907	mol	CCCCCCC(=O)NO
-9908	mol	CCCC(C)(C)C(=O)N(O)CC
-9909	mol	CC(C)=C(C#C)C(O)=O
-9910	mol	CC(C)(CC=C)C(O)=O
-9911	mol	CC(C)C(=C=C)C(O)=O
-9912	mol	CC(C)C(C=C)C(O)=O
-9913	mol	CC(C)C(C)(C)C(O)=O
-9914	mol	CC(C)C(C)CC(O)=O
-9915	mol	CC(C)C(C#C)C(O)=O
-9916	mol	CC(C)CC=CC(O)=O
-9917	mol	CC(C)CC(=C)C(O)=O
-9918	mol	CC(C)CC(C)=C(O)O
-9919	mol	CC(C)CC(C)C(O)=O
-9920	mol	CC(C)CC#CC(O)=O
-9921	mol	CC(C)CCCC(O)=O
-9922	mol	CC(C#C)(C=C)C(O)=O
-9923	mol	CC(CC=C)CC(O)=O
-9924	mol	CC(CC#C)CC(O)=O
-9925	mol	CC(CCC=C)C(O)=O
-9926	mol	CC(CCC#C)C(O)=O
-9927	mol	CCC=C(CC)C(O)=O
-9928	mol	CCC(=C(C)C)C(O)=O
-9929	mol	CCC(C(C)C)C(O)=O
-9930	mol	CCC(C)(C)CC(O)=O
-9931	mol	CCC(C)(CC)C(O)=O
-9932	mol	CCC(C)C(=C)C(O)=O
-9933	mol	CCC(C)C(C)C(O)O
-9934	mol	CCC(C)C(C)C(O)=O
-9935	mol	CCC(C)C#CC(O)=O
-9936	mol	CCC(C)CCC(O)=O
-9937	mol	CCC(C#C)=CC(O)=O
-9938	mol	CCC(CC=C)C(O)=O
-9939	mol	CCC(CC)CC(O)=O
-9940	mol	CCCC=C=CC(O)=O
-9941	mol	CCCC=C(C)C(O)=O
-9942	mol	CCCC(C=C)C(O)=O
-9943	mol	CCCC(C(C)CO)=O
-9944	mol	CCCC(C)(C)C(O)=O
-9945	mol	CCCC(C)CC(O)=O
-9946	mol	CCCC(C#C)C(O)=O
-9947	mol	CCCC(CC)C(O)O
-9948	mol	CCCC(CC)C(O)=O
-9949	mol	CCCCC=CC(O)=O
-9950	mol	CCCCC(=C)C(O)=O
-9951	mol	CCCCC(C)=C(O)O
-9952	mol	CCCCC(C)C(O)=O
-9953	mol	CCCCC(CCO)=O
-9954	mol	CCCCC#CC(O)=O
-9955	mol	CCCCCCC(O)O
-9956	mol	CCCCCCC(O)=O
-9957	mol	CC(C)C(C)CC(O)(O)C
-9958	mol	CCCC(C)CC(O)(O)C
-9959	mol	CCCCC(C)C(O)OC
-9960	mol	CCCCC(C)C(O)(O)C
-9961	mol	CCC(C)C(C)(C(O)=O)c1ccccc1
-9962	mol	CCC(CCCC(O)=O)c1ccccc1
-9963	mol	CC(C)CC=CC(O)(O)C=C
-9964	mol	CC(C)CC(CC(O)=O)C=C
-9965	mol	CC(C)CC(CC(O)=O)C#C
-9966	mol	CC(C)CCCC(O)(O)C=C
-9967	mol	CCC(C)C(CC(O)=O)C#C
-9968	mol	CCCC(C)C(CO)OC#C
-9969	mol	CCCCC(C)C(O)OCC
-9970	mol	CCCCCCC(O)(O)C=C
-9971	mol	CCCCC(CC(O)=O)Cc1ccccc1
-9972	mol	C=CC(C)(C)C(C(O)=O)=CC=C
-9973	mol	CC(C)CCCC(O)(O)C(C)C
-9974	mol	CCCC(CC)C(O)OC(C)C
-9975	mol	CCCCC=C(C(O)=O)C=C=C
-9976	mol	CCCCC(C)C(O)OC(C)C
-9977	mol	CCCCC(CCO)OC(C)C
-9978	mol	CC(C)C(C)CC(O)(O)C(C)=O
-9979	mol	CCCC(CCC(O)=O)CC=O
-9980	mol	CCCCC(C)(C(O)=O)C(C)=O
-9981	mol	CC(C)CC(C)=C(O)OC=O
-9982	mol	CC(C)CC(CC(O)=O)C=O
-9983	mol	CC(C)CCCC(O)OC=O
-9984	mol	CCC(C(C)C)=C(O)OC=O
-9985	mol	CCC(C)C(CC(O)=O)C=O
-9986	mol	CCCC(C(C)C(O)=O)C=O
-9987	mol	CCCCC(CCO)OC=O
-9988	mol	CCCCCCC(O)OC=O
-9989	mol	CCC(C)(C(C)C(O)=O)C(O)=O
-9990	mol	CCC(C)CC(C(O)=O)C(O)=O
-9991	mol	CCCC(C=C)(C(O)=O)C(O)=O
-9992	mol	CCCC(C(C)C(O)=O)C(O)=O
-9993	mol	CCCCC(C)(C(O)=O)C(O)=O
-9994	mol	CCCCC(CCO)OC(O)=O
-9995	mol	CCCCCC(C(O)=O)C(O)=O
-9996	mol	CC(C)C(CCC(O)=O)=O
-9997	mol	CC(C)CC(CC(O)=O)=O
-9998	mol	CCC(C(C)CC(O)=O)=O
-9999	mol	CCC(C)C(CC(O)=O)=O
-10000	mol	CCCC(C(C)C(O)=O)=O
-10001	mol	CCCCC(CC(O)=O)=O
-10002	mol	CC(C)CC=C=C[Si](F)(F)CC
-10003	mol	CC(C)CC=C=C[Si](F)(F)C#C
-10004	mol	CC(C)CC=C=C[Si](F)(F)F
-10005	mol	CC(C)(C=C)C=C[SiH3]
-10006	mol	CCC(C)C(C)(C)[SiH3]
-10007	mol	CCCCC=C=C[SiH3]
-10008	mol	CCCCC(C)C[SiH3]
-10009	mol	CCCC(C(C)(C)[SiH3])C#C
-10010	mol	CCCCC=C=C([SiH3])C=C=C
-10011	mol	CCC(C)CC(C[SiH3])N(=O)=O
-10012	mol	CCC(C)CC(C)([SiH3])N(=O)=O
-10013	mol	CC(C)C=C=CF
-10014	mol	CC(C)CC#CF
-10015	mol	CCC=CC#CF
-10016	mol	CCC#CC=CF
-10017	mol	CCCC=C=CF
-10018	mol	CCCC(C)CF
-10019	mol	CCCCC=CF
-10020	mol	CCCCC=C(F)Br
-10021	mol	CCC=C=CC(F)=C(Br)C=C=C
-10022	mol	CC(C)C(C#CF)C=C
-10023	mol	CC(C)CC=C(F)C#C
-10024	mol	CCC(C)C=C(F)C=C
-10025	mol	CCCCCC(F)CC
-10026	mol	CC(C)c(cc(F)cc1F)c1O
-10027	mol	CCCc(cc(F)cc1O)c1F
-10028	mol	CC(C)c(cc(F)cc1O)c1O
-10029	mol	CCC(C)(C)C(F)=CC#C
-10030	mol	CCCCC(CF)CCC
-10031	mol	CCC(CC)C(F)(CC)CC
-10032	mol	CCCC=C=C(F)Cl
-10033	mol	CCCC(C)C(F)(F)C(F)(F)F
-10034	mol	CCCCCC(F)(F)C(F)(F)F
-10035	mol	CCCCCC(F)(N)CC
-10036	mol	CCCC=C=C(F)[Si](F)(F)C=O
-10037	mol	CCCCCCl
-10038	mol	CC(C)C(C)Cl
-10039	mol	CCC=C=CCl
-10040	mol	CCC(C)CCl
-10041	mol	CCC(C)(C)Cl
-10042	mol	CCCCC(Cl)Br
-10043	mol	C#CCCC(Cl)=C
-10044	mol	CCCCC(Cl)=C
-10045	mol	CCC=C=C(Cl)c1cocc1
-10046	mol	CCCC(CCl)CBr
-10047	mol	CC(C)CC(Cl)=C=C
-10048	mol	CCC=C=C(Cl)C=C
-10049	mol	CCC(C)C(Cl)=C=C
-10050	mol	CCCCC(Cl)=Cc1cocc1
-10051	mol	CC(C)CC(Cl)=C=CBr
-10052	mol	CCC=C=C(Cl)C=C=C
-10053	mol	CCCCC(Cl)CCC
-10054	mol	CC(C)CC(Cl)=C=CC=C
-10055	mol	CCCC(CCl)CC=C=C
-10056	mol	CC(C)CC(Cl)=C=CC=C=C
-10057	mol	CCCC(CCl)CC#N
-10058	mol	CCCCC(Cl)=C=CN(=O)=O
-10059	mol	CC(C)CC(Cl)=C=C(O)C=C
-10060	mol	CC(C)CC(Cl)=C=C(O)C#N
-10061	mol	CC(C)CC(Cl)(CC)OC=O
-10062	mol	CCCC(CCl)C(O)=O
-10063	mol	C=C=CC=C=CN
-10064	mol	C=CC#CC=CN
-10065	mol	CC(C)(C)C(=C)N
-10066	mol	CC(C)CC(=C)N
-10067	mol	CCC=C=CC#N
-10068	mol	CCC=C(CC)N
-10069	mol	CCC(=CC)C#N
-10070	mol	CCC(C)C(=C)N
-10071	mol	CCC(C)C#CN
-10072	mol	CCCC=C=CN
-10073	mol	CCCC(C)CN
-10074	mol	CCCCC(=C)N
-10075	mol	C=CC#CC=CN1CCCCC1
-10076	mol	CC(C=C)=C=CN1CCCCC1
-10077	mol	CCCC(C)C(N)C
-10078	mol	CCCCC(C)NC
-10079	mol	CCCCCC(N)C
-10080	mol	CCC#Cc(cnc1)cc1C
-10081	mol	CC(C)Cc(cnc1)cc1CC
-10082	mol	CCCCCC(N)c1ccccc1
-10083	mol	CCCCCCNC1CCCCC1
-10084	mol	CCC(CC)C(N)C1CCCCCCC1
-10085	mol	CCCCCC(N)C1CCCCCCC1
-10086	mol	CCC(C)C(CN)CC
-10087	mol	CCCC(C)(CN)C=C
-10088	mol	CCCC(CC)N(C)C
-10089	mol	CCCCC(C)N(C)C
-10090	mol	CCCCC(C#N)=C=C
-10091	mol	CCCCC(CN)CC
-10092	mol	CCCCCC(N)CC
-10093	mol	CCCCCC(N)(C)C
-10094	mol	CCCC(C)CNC(C1CCCCC1)=O
-10095	mol	CC(C)CCC(N)(C)CC
-10096	mol	CCC(CC)C(N)(C)CC
-10097	mol	CCC(CC)C(N)C(C)C
-10098	mol	CCCC(C)C(N)C(C)C
-10099	mol	CCCCC(CN)CCC
-10100	mol	CCCCCC(N)CCC
-10101	mol	CCCCCC(N)(C)CC
-10102	mol	CCCCCC(N)C(C)C
-10103	mol	CCCCCC(NC)CC
-10104	mol	CCCCCCN(C)CC
-10105	mol	CCCCCCNC(C)C
-10106	mol	CCC(C)C(CN)C(C)CC
-10107	mol	CCCC(CC)N(C)C(C)C
-10108	mol	CCCC(CC)NCC(C)C
-10109	mol	CCCCC(CN)(CC)C=C
-10110	mol	CCCCC(CN)C(C)CC
-10111	mol	CCCCC(CN)CC(C)C
-10112	mol	CCCCCC(N)CCCC
-10113	mol	CCCCCC(N)C(C)CC
-10114	mol	CCCCCC(N)CC(C)C
-10115	mol	CCCCCCN(CC)CC
-10116	mol	CCCCCCN(CCC)c1ccccc1
-10117	mol	CCC(C)CC(N)(C)C(C)CC
-10118	mol	CCCC(CC)N(CC)C(C)C
-10119	mol	CCCCC(C(N)CCC)C=C
-10120	mol	CCCCC(CN)(CCC)C=C
-10121	mol	CCCCCC(N)(C)C(C)CC
-10122	mol	CCCCCC(N)CCC(C)C
-10123	mol	CCCCCCN(CC)CCC
-10124	mol	CCCCCCN(CC)C(C)C
-10125	mol	CCCCCCNCCCCCC
-10126	mol	CCCC(CC)N(CCC)C(C)C
-10127	mol	CCCC(CC)NC(CC)CCC
-10128	mol	CCCCC(C)N(CCC)C(C)C
-10129	mol	CCCCCC(N)CC(CC)CC
-10130	mol	CCCC(CC)N(C)C(CC)CCC
-10131	mol	CCCC(CC)N(CCC)C(C)CC
-10132	mol	CCCC(CC)NC(CCC)CCC
-10133	mol	CCCCCC(N)CCC(C)CCC
-10134	mol	CCCCC(C(N)CC)C(CC)CCC
-10135	mol	CCCCCC(N)CCC(CC)CCC
-10136	mol	CCCC(CC)N(C(C)C)C(CC)CCC
-10137	mol	CCCC(CC)N(CCC)C(CC)CCC
-10138	mol	CCCC(CC)N(CCC)C(C)CO
-10139	mol	CCCCC(C)N(CCC)C(C)COC=O
-10140	mol	CCCCCCN(C(CC)CC)N
-10141	mol	CCCCC(C)N(C(C)CC)NC=O
-10142	mol	CCCCCC(N)C(C)CC=O
-10143	mol	CCCC(CC)N(CCC)N
-10144	mol	CCCCCC(N)(CC)C(N)C
-10145	mol	CCC(CC)C(N)(CC)C=O
-10146	mol	CCCC(CC)NC(C)CO
-10147	mol	CCCCCC(N)CCC(O)=O
-10148	mol	CCCCCCN(CC)C(O)=O
-10149	mol	CCCCCCN(CC)N
-10150	mol	CCCCCCN(CC)NC=O
-10151	mol	CCCCC(C(N)CC)=O
-10152	mol	CCCCC(C#N)=CC=O
-10153	mol	CC(C)CCC(N)(C)COC=O
-10154	mol	CCC(C)CC(N)CC(O)C(O)=O
-10155	mol	CCCC(CC)N(C)C(O)=O
-10156	mol	CCCCC(C#N)=CC(O)=O
-10157	mol	CCCCC(CN)CC(O)=O
-10158	mol	CC(C)C=C=C(N)C#N
-10159	mol	CCCC=C=C(N)C#N
-10160	mol	CCCCC(CN)CN
-10161	mol	CCCCCC(N)C(N)C
-10162	mol	CCCCCC(N)(CN)C1CCCCC1
-10163	mol	CCCCC(CN)(CN)CCC
-10164	mol	CCCCC(CN)(CN)CC(O)=O
-10165	mol	CCCCCC(N)C(N)(N)C(N)(N)C(O)=O
-10166	mol	CCCCCC(N)C(N)(N)C(N)(N)N
-10167	mol	CC(C)CC(CN)C=O
-10168	mol	CCC(CC)C(N)C=O
-10169	mol	CCCC(CC)NC=O
-10170	mol	CCCCC(C)NC=O
-10171	mol	CCCCCC(N)C=O
-10172	mol	CCCCCCNC=O
-10173	mol	CCCCCC(N)(C=O)c1ccccc1
-10174	mol	CC(C)CCC(N)(CO)CN
-10175	mol	CCCCCC(N)(CO)CN
-10176	mol	CCC(C)C=C(N)C(OC)=O
-10177	mol	CCCCCC(N)(C=O)C(=O)N
-10178	mol	CCCC(CC)NC(=O)NC=O
-10179	mol	CCC(CC)C(N)(C=O)N(N)C(O)=O
-10180	mol	CC(C)CC(CN)C(O)=O
-10181	mol	CCC(C)C=CNC(O)=O
-10182	mol	CCC(C)C(=CN)C(O)=O
-10183	mol	CCC(CC)C(N)C(O)=O
-10184	mol	CCC(CC)CNC(O)=O
-10185	mol	CCCC(=CC)NC(O)=O
-10186	mol	CCCC(C)C(N)C(O)=O
-10187	mol	CCCC(CC)NC(O)=O
-10188	mol	CCCCC(C)NC(O)=O
-10189	mol	CCCCC(C#N)C(O)=O
-10190	mol	CCCCCC(N)C(O)=O
-10191	mol	CCCCCCNC(O)=O
-10192	mol	CCCCCCN(F)N
-10193	mol	CCCCCCNN
-10194	mol	CCC(C)(CC)NN
-10195	mol	CCC(CC)C(N)N
-10196	mol	CCCC(CC)NN
-10197	mol	CCCCC(C)NN
-10198	mol	CC(C)CCC(N)(N)C
-10199	mol	CCC(CC)C(N)(N)C1CCCCCCC1
-10200	mol	CCCC(CC)NNC(CCC)CCC
-10201	mol	CCCC(CC)NN(C(C)C)C(O)=O
-10202	mol	CCCC(CC)NNC=O
-10203	mol	CCCCC(C)NNC=O
-10204	mol	CCCC(CC)N(N)C(=O)N
-10205	mol	CCCC(CC)NNC(=O)N
-10206	mol	CCCC(CC)NN(C(=O)N)C(=O)N
-10207	mol	CCCC(CC)NNC(O)=O
-10208	mol	CCCC(CC)NN(C(O)=O)C(=O)N
-10209	mol	CCCC(CC)NN(C(O)=O)C(=O)NN
-10210	mol	CCCC(CC)NNN
-10211	mol	CCCC(CC)NNNCCC
-10212	mol	CCCC(CC)NN(N)C(=O)N
-10213	mol	CCCC(CC)NN(N)C(O)=O
-10214	mol	CCCC(CC)NNN(C(O)=O)C(O)=O
-10215	mol	CCCC(CC)NNNN
-10216	mol	CCCC(CC)NN(N)N
-10217	mol	CCCC(CC)NNN(N)C(O)=O
-10218	mol	CCCC(CC)NN(O)C(=O)N
-10219	mol	CCC(C)C(=C)NO
-10220	mol	CCCCC(CN)=O
-10221	mol	CCCC(C)(C)N(O)CC
-10222	mol	CCC(C)C=CN(O)C(O)=O
-10223	mol	CCCCCCN(O)C(O)=O
-10224	mol	CCCC(CC)N(O)N
-10225	mol	C=C=CC=C=CN(=O)=O
-10226	mol	C=C=CC(=C=C)N(=O)=O
-10227	mol	C=CC#CC(=C)N(=O)=O
-10228	mol	C=CC#CC#CN(=O)=O
-10229	mol	C#CC=CC#CN(=O)=O
-10230	mol	CC=C=CC#CN(=O)=O
-10231	mol	CC(C)C(C)(C)N(=O)=O
-10232	mol	CC(C)CC#CN(=O)=O
-10233	mol	CC(CC=C)CN(=O)=O
-10234	mol	CCC(C(C)C)N(=O)=O
-10235	mol	CCC(C)C=CN(=O)=O
-10236	mol	CCC(C)C(=C)N(=O)=O
-10237	mol	CCC(CC#C)N(=O)=O
-10238	mol	CCCC=C=CN(=O)=O
-10239	mol	CCCC(=C=C)N(=O)=O
-10240	mol	CCCCC=CN(=O)=O
-10241	mol	CCCCC(=C)N(=O)=O
-10242	mol	C#CCC(C(C)N(=O)=O)N(=O)=O
-10243	mol	C=C=CC=CC=O
-10244	mol	C=C=CC(=C)C=O
-10245	mol	C#CC=C=CC=O
-10246	mol	C#CC(=C=C)C=O
-10247	mol	C#CC(C#C)C=O
-10248	mol	C#CCC#CC=O
-10249	mol	C#CCCCC=O
-10250	mol	CC=C(C#C)C=O
-10251	mol	CC(=C)C=CC=O
-10252	mol	CC(C)=C(C)C=O
-10253	mol	CC(C)(C)C=CO
-10254	mol	CC(C)(C)C(C)=O
-10255	mol	CC(C)(C)CC=O
-10256	mol	CC(C)(C#C)C=O
-10257	mol	CC(C)C=CC=O
-10258	mol	CC(C)C(=C)C=O
-10259	mol	CC(C)C(C)C=O
-10260	mol	CC(C)C#CC=O
-10261	mol	CC(C)CC=CO
-10262	mol	CC(C)CC(C)=O
-10263	mol	CC(C)CC#CO
-10264	mol	CC(C)CCC=O
-10265	mol	CC(C#C)=CC=O
-10266	mol	CC(C#C)C(C)=O
-10267	mol	CC(CC=C)C=O
-10268	mol	CC(CC#C)C=O
-10269	mol	CC#CC#CC=O
-10270	mol	CCC=C=CC=O
-10271	mol	CCC=C(C)C=O
-10272	mol	CCC(=CC)C=O
-10273	mol	CCC(C(C)C)=O
-10274	mol	CCC(C)(C)C=O
-10275	mol	CCC(C)C=CO
-10276	mol	CCC(C)C(C)=O
-10277	mol	CCC(C)C#CO
-10278	mol	CCC(C)CC=O
-10279	mol	CCC(C#C)C=O
-10280	mol	CCC(CC)=CO
-10281	mol	CCC(CC)C=O
-10282	mol	CCC#CC#CO
-10283	mol	CCC#CCC=O
-10284	mol	CCCC=CC=O
-10285	mol	CCCC(=C)C=O
-10286	mol	CCCC(C)CO
-10287	mol	CCCC(C)=CO
-10288	mol	CCCC(C)C=O
-10289	mol	CCCC(CC)=O
-10290	mol	CCCC#CC=O
-10291	mol	CCCCC=CO
-10292	mol	CCCCC(C)=O
-10293	mol	CCCCC#CO
-10294	mol	CCCCCC=O
-10295	mol	CCCC(CCO1)=C1CC
-10296	mol	CC(C)Cc(co1)cc1C
-10297	mol	CCC(C)c(co1)cc1C
-10298	mol	CCCCc(co1)cc1C
-10299	mol	CC(C)CC(CO1)CC1C
-10300	mol	CCCCC(CO1)CC1C
-10301	mol	CC(C)Cc(co1)cc1CC
-10302	mol	CCC(C)c(co1)cc1CC
-10303	mol	CC(C)Cc(co1)cc1Cl
-10304	mol	CCCCc(co1)cc1Cl
-10305	mol	CC(C)(C)c(co1)cc1F
-10306	mol	CC(C)Cc(co1)cc1F
-10307	mol	CC(C)Cc(co1)cc1O
-10308	mol	CCC(C)c(co1)cc1O
-10309	mol	CC(C)CC(CO1)CC1O
-10310	mol	CC(C)C(C)=C(O)C
-10311	mol	CC(C)CC#COC
-10312	mol	CCC(C)CC(O)C
-10313	mol	CCC(CC)=C(O)C
-10314	mol	CCC(CC)C(O)C
-10315	mol	CCCC=CC(O)=C
-10316	mol	CCCC(C)C(O)C
-10317	mol	CCCCC=C(O)C
-10318	mol	CCCCC(C)OC
-10319	mol	CCCCC#COC
-10320	mol	CCCCCC(O)C
-10321	mol	CCCCCC(O)=C
-10322	mol	CCC(C)c(coc1C)c1C
-10323	mol	CCCCc(coc1C)c1C
-10324	mol	CC(C)(C)c(coc1C)c1C#C
-10325	mol	CC(C)Cc(coc1C)c1C=C
-10326	mol	CCC(C)c(coc1C)c1CC
-10327	mol	CCCCc(coc1C)c1CC
-10328	mol	CCCCc(coc1C)c1C=C
-10329	mol	CCC(C)c(coc1C)c1C=O
-10330	mol	CC(C)Cc(coc1C)c1O
-10331	mol	CCC(C)c(coc1C)c1O
-10332	mol	CCCCc(coc1C)c1O
-10333	mol	CCC(C)c(coc1CC)c1O
-10334	mol	CCCCc(coc1CC)c1O
-10335	mol	CC(C)C(C)C(=O)c1ccccc1
-10336	mol	CC(C)C(CC=O)c1ccccc1
-10337	mol	CC(C)CCC(=O)c1ccccc1
-10338	mol	CCC(C(C)C=O)c1ccccc1
-10339	mol	CCC(C)(CC=O)c1ccccc1
-10340	mol	CCC(C)C(C=O)c1ccccc1
-10341	mol	CCC(CCC=O)c1ccccc1
-10342	mol	CCCC(C)C(=O)c1ccccc1
-10343	mol	CCCC(CC=O)c1ccccc1
-10344	mol	CCCC(CC)Oc1ccccc1
-10345	mol	CCCCCC(=O)c1ccccc1
-10346	mol	CCCC(C)C(O)C1CCCCCCC1
-10347	mol	CCCCC(CO)C1CCCCCCC1
-10348	mol	CC(C)(C(C)C=O)C1CC=CO1
-10349	mol	CC(C)(C)CC(O)C1=CCCO1
-10350	mol	CC(C)CC=C(O)C1CC=CO1
-10351	mol	CC(C)CC#COC1CCCO1
-10352	mol	CCC(CC)=C(O)C1CCCO1
-10353	mol	CCCCC=C(O)C1CCCO1
-10354	mol	CCC(CC)=C(O)C1CCOC1
-10355	mol	CCCCC=C(O)C1C=COC1
-10356	mol	CC(C)CC(COC1Cl)C1Cl
-10357	mol	CC=Cc(c(C)oc1C=O)c1C
-10358	mol	CC(C)CC=C(O)c1cocc1
-10359	mol	CC(C)CC(=CO)c1cocc1
-10360	mol	CC(C)CCC(=O)c1cocc1
-10361	mol	CC(CC=C)(C=O)c1cocc1
-10362	mol	CCC(C)C=C(O)c1cocc1
-10363	mol	CCC(C)C(=C)Oc1cocc1
-10364	mol	CCC(C)CC(=O)c1cocc1
-10365	mol	CCC(CC)=C(O)c1cocc1
-10366	mol	CCC(CC)(C=O)c1cocc1
-10367	mol	CCCCC(=CO)c1cocc1
-10368	mol	CCCCC(C=O)c1cocc1
-10369	mol	CCCCC(C)Oc1cocc1
-10370	mol	CC(C)CC=C(O)C1=COCC1
-10371	mol	CCC(C)C(C=O)C1=COCC1
-10372	mol	CCCCc(coc1F)c1Br
-10373	mol	CCCCc(coc1O)c1C
-10374	mol	CC(C)Cc(coc1O)c1C=C
-10375	mol	CCCCc(coc1O)c1C=O
-10376	mol	CC(C)Cc(coc1O)c1O
-10377	mol	CCC(C)c(coc1O)c1O
-10378	mol	CCCCc(coc1O)c1O
-10379	mol	CC(C)CC=C(O)c1occc1
-10380	mol	CC(C)CC(C=O)c1occc1
-10381	mol	CCCCC(C=O)c1occc1
-10382	mol	CCCc(c(C=O)c2CC)c(c1ccccc1)c(C)c2CC
-10383	mol	CCCCc(c(O)c2C=O)c(c1ccccc1)cc2C
-10384	mol	CCCCC(CO)C(Br)CCl
-10385	mol	C=CC(C=C)C(=O)C#C
-10386	mol	C#CCC(CC=O)C#C
-10387	mol	CC(C=C)CC(=O)C=C
-10388	mol	CC(C)(C#C)C(=O)C=C
-10389	mol	CC(C)(C#C)C(=O)C#C
-10390	mol	CC(C)C=C(C=O)C=C
-10391	mol	CC(C)CC=C(O)CC
-10392	mol	CC(C)CC=C(O)C=C
-10393	mol	CC(C)CC=C(O)C#C
-10394	mol	CC(C)CC=COC#C
-10395	mol	CC(C)CC(=CO)C=C
-10396	mol	CC(C)CC(C=O)C=C
-10397	mol	CC(C)CC(C)OC#C
-10398	mol	CC(C)CC(CO)C#C
-10399	mol	CC(C)CC#COC#C
-10400	mol	CC(C)CCC(O)(C)C
-10401	mol	CC(C)CCC(O)C#C
-10402	mol	CC(C)CCCOC=C
-10403	mol	CC(CC=C)C(O)C=C
-10404	mol	CC(CC#C)C(O)C#C
-10405	mol	CCC=C=C(C=O)C=C
-10406	mol	CCC(C=C)=C(O)C=C
-10407	mol	CCC(C=C)=C(O)C#C
-10408	mol	CCC(C)C=C(O)CC
-10409	mol	CCC(C)C(=CO)C=C
-10410	mol	CCC(C)C(CO)CC
-10411	mol	CCC(C)C#COC#C
-10412	mol	CCC(C)CC(=O)C=C
-10413	mol	CCC(C)CCOC#C
-10414	mol	CCC(CC)=C(O)C=C
-10415	mol	CCC(CC)C(O)(C)C
-10416	mol	CCCC=CC(=O)C#C
-10417	mol	CCCC(C)C(O)C#C
-10418	mol	CCCC(CC=O)C#C
-10419	mol	CCCC#CC(=O)C#C
-10420	mol	CCCC#CC(O)CC
-10421	mol	CCCCC=COCC
-10422	mol	CCCCC=C(O)C=C
-10423	mol	CCCCC=C(O)C#C
-10424	mol	CCCCC=COC=C
-10425	mol	CCCCC(=CO)C=C
-10426	mol	CCCCC(=CO)C#C
-10427	mol	CCCCC(C=O)C=C
-10428	mol	CCCCC(C)OCC
-10429	mol	CCCCC(C)OC#C
-10430	mol	CCCCC(CO)CC
-10431	mol	CCCCC(CO)C#C
-10432	mol	CCCCC#COC=C
-10433	mol	CCCCC#COC#C
-10434	mol	CCCCCC(O)CC
-10435	mol	CCCCCC(O)C#C
-10436	mol	CCCCCCOC#C
-10437	mol	CCc(cc(C=O)cc1C)c1C
-10438	mol	CCc(cc(C=O)cc1C)c1O
-10439	mol	CCC(C(C)C=O)Cc1ccccc1
-10440	mol	CCC(C)C(C=O)Cc1ccccc1
-10441	mol	CCCCC(C=O)Cc1ccccc1
-10442	mol	CCCCCC(O)(C)C1CCCCC1
-10443	mol	CC(C)C(CC=O)Cc1cc(C)cc(C(C)C)c1C=O
-10444	mol	CCCC(CC=O)Cc1cc(C)cc(C(C)C)c1C=O
-10445	mol	CC(C)c(cc(O)cc1F)c1F
-10446	mol	CCCc(cc(O)cc1O)c1C
-10447	mol	CCc(cc(C=O)cc1O)c1O
-10448	mol	CC(C)c(cc(O)cc1O)c1O
-10449	mol	CC(C)CC(C=O)=C=CBr
-10450	mol	C=C=CC=CC(=O)C=C=C
-10451	mol	CC(C)C=CC(=O)C=C=C
-10452	mol	CC(C)CC=C(O)C(C)C
-10453	mol	CC(C)CC(=C(O)C)C=C
-10454	mol	CC(C)CC(C=O)=C=CC
-10455	mol	CC(C)CC(C=O)=CC=C
-10456	mol	CC(C)CCC(O)=CC=C
-10457	mol	CC(C)CCC(O)(C)C=C
-10458	mol	CC(C)CCC(O)CC=C
-10459	mol	CC(C)CCC(OC)C#C
-10460	mol	CCC(C)C(C=O)=CC=C
-10461	mol	CCC(C)CC(O)(C)C=C
-10462	mol	CCC(C)CC(O)C(C)C
-10463	mol	CCC(CC)=C(O)CC=C
-10464	mol	CCC(CC)C(O)C(C)C
-10465	mol	CCC(CCC=O)CC#C
-10466	mol	CCCC=CC(O)=CCC
-10467	mol	CCCC=CC(O)=CC=C
-10468	mol	CCCC=CC(O)(C)CC
-10469	mol	CCCC(=C)C(O)=CC=C
-10470	mol	CCCC(C)=C(O)C(C)C
-10471	mol	CCCC(C)(C)OC(C)C
-10472	mol	CCCC(C)(CO)C(C)C
-10473	mol	CCCC(C)(CO)CC=C
-10474	mol	CCCC(C)C(O)C(C)C
-10475	mol	CCCC(C)COC(C)C
-10476	mol	CCCC(CC)OC(C)C
-10477	mol	CCCCC=C(O)CCC
-10478	mol	CCCCC=C(O)C=C=C
-10479	mol	CCCCC=C(O)C(C)C
-10480	mol	CCCCC=COC(C)C
-10481	mol	CCCCC(=CO)C#CC
-10482	mol	CCCCC(C)OC(C)C
-10483	mol	CCCCC(CO)CCC
-10484	mol	CCCCC(CO)C(C)C
-10485	mol	CCCCC(CO)CC=C
-10486	mol	CCCCCC(O)CCC
-10487	mol	CCCCCC(O)(C)CC
-10488	mol	CCCCCC(O)C(C)C
-10489	mol	CCCCCC(O)CC=C
-10490	mol	CCCCCCOC(C)C
-10491	mol	CCCc(c(C=O)ccc1C)c1C(O)=O
-10492	mol	CC(C)C(CC=O)C(C)c1ccccc1
-10493	mol	CCC(C)C(C=O)C(C)c1ccccc1
-10494	mol	CCC(CC)(C(O)C)Cc1ccccc1
-10495	mol	CCCC(CC=O)CCc1ccccc1
-10496	mol	CCCC(CC=O)C(C)c1ccccc1
-10497	mol	CCCC(CC(O)CC)C1CCCCC1
-10498	mol	CCCCC(C(O)C)CC1CCCCC1
-10499	mol	CCCCCC(O)(CC)C1CCCCC1
-10500	mol	CC(C)C#CC(=O)C#CC#C
-10501	mol	CC(C)CC=C(O)C(C)(C)C
-10502	mol	CC(C)CC(=C(O)CC)C=C
-10503	mol	CC(C)CC(C(O)C)C(C)C
-10504	mol	CC(C)CCC(O)(C)CC#C
-10505	mol	CC(C)CCC(O)CC(C)C
-10506	mol	CCC(C)C=C(O)CC(C)C
-10507	mol	CCC(C)C=C(OC#C)C#C
-10508	mol	CCC(C)C(=C)OC=CC=C
-10509	mol	CCC(C)C(C=O)=C(C)C=C
-10510	mol	CCC(C)C(C)(OC)C(C)C
-10511	mol	CCC(C)CC(O)CC(C)C
-10512	mol	CCCC(C)=C(O)CC(C)C
-10513	mol	CCCC(C)COC(C)CC
-10514	mol	CCCC(CC)OC(C)CC
-10515	mol	CCCC(CC)OCC(C)C
-10516	mol	CCCCC=C(O)CCCC
-10517	mol	CCCCC=C(O)C(C)CC
-10518	mol	CCCCC=C(O)CC(C)C
-10519	mol	CCCCC=C(OC=C)C#C
-10520	mol	CCCCC=C(OC#C)C#C
-10521	mol	CCCCC(=C(O)CC)C=C
-10522	mol	CCCCC(=C)OC=CC=C
-10523	mol	CCCCC(=CO)C#CC=C
-10524	mol	CCCCC(=COC#C)C#C
-10525	mol	CCCCC(C=O)=C=CCC
-10526	mol	CCCCC(C(O)C)C(C)C
-10527	mol	CCCCC(C)OC(C)CC
-10528	mol	CCCCC(CO)CCCC
-10529	mol	CCCCC(CO)C(C)(C)C
-10530	mol	CCCCC(CO)CCC=C
-10531	mol	CCCCC#COC#CC#C
-10532	mol	CCCCC#COCC(C)C
-10533	mol	CCCCCC(O)(C)CCC
-10534	mol	CCCCCC(O)(C)C(C)C
-10535	mol	CCCCCC(O)C(C)CC
-10536	mol	CCCCCC(O)CC(C)C
-10537	mol	CCCCCCOC(C)CC
-10538	mol	CCC(CCC=O)C(CC)C1CCCCC1
-10539	mol	CC(C)C(CC(O)CC=C)C=C
-10540	mol	CC(C)CC(C=O)=C=CC=C=C
-10541	mol	CCC(C)C(C(O)C(C)C)C=C
-10542	mol	CCC(C)C(C(O)C)C(C)CC
-10543	mol	CCC(C)CC(O)=C(CC)C=C
-10544	mol	CCCC(=C)C(O)=C(C=C)C=C
-10545	mol	CCCCC(=C(O)CC)C=CC
-10546	mol	CCCCC(C)(OCC)CCC
-10547	mol	CCCCC(CO)C(C)(C)CC
-10548	mol	CCCCCC(O)CCC(C)C
-10549	mol	CCCC(CC)OC(C)CC(C)C
-10550	mol	CCCC(CC)OC(CC)CCC
-10551	mol	CCCC(CC)OCCC(C)CC
-10552	mol	CCCCCC(O)(CCC)CCCC
-10553	mol	CCCCCC(O)C(CCC)CCC
-10554	mol	CCCCCCOC(C)CCCCC
-10555	mol	CCCCCC(O)CCC(CC)CCC
-10556	mol	CCCCCC(OCC)C(C)CCCC
-10557	mol	CCCCCCOC(CC)CCCCC
-10558	mol	CC(C)CCCOC(CC)CC(C)C=O
-10559	mol	CCCCCCOC(CCCCCC)=O
-10560	mol	CCCC(CC)OCC(CCC)C=O
-10561	mol	CC(C)CC(C)OCCC(C)C=O
-10562	mol	CCC(C)CC(OCC(C)C)C=O
-10563	mol	CCCC(CC)OC(CC(C)C)=O
-10564	mol	CCCCCC(O)(CCCC)C=O
-10565	mol	CC(C)C(C)C(OC)(CC)C=O
-10566	mol	CC(C)CC#COC(C(C)C)=O
-10567	mol	CC(C)CCC(OC)(CC)C=O
-10568	mol	CC(CCCC=O)CC(C)C=O
-10569	mol	CCC(C)C(C(O)(CC)CC)=O
-10570	mol	CCC(C)CC(=O)C(CCC)=O
-10571	mol	CCCC(C)(C(O)(C)CC)C=O
-10572	mol	CCCC(C)(CO)C(C(C)C)=O
-10573	mol	CCCC(C)C(O)(C(C)C)C=O
-10574	mol	CCCC(C)C(O)C(CC)C=O
-10575	mol	CCCC(C)C(OC)(CC)C=O
-10576	mol	CCCC(CC=O)C(CC)C=O
-10577	mol	CCCC(CC=O)C(CCC)=O
-10578	mol	CCCC(CC(O)CC)CC=O
-10579	mol	CCCCC(=C(O)CC)C=CO
-10580	mol	CCCCC(C(O)(CC)CC)=O
-10581	mol	CCCCC(C)(OCC)CC=O
-10582	mol	CCCCC(CO)(C(C)C)C=O
-10583	mol	CCCCC(CO)(CCC)C=O
-10584	mol	CCCCC(CO)C(C)(C)CO
-10585	mol	CCCCC(COC(C)CC)=O
-10586	mol	CCCCC#COC(C(C)C)=O
-10587	mol	CCCCCC(O)(CC)C(C)=O
-10588	mol	CCCCCC(OC(C)C)C=O
-10589	mol	CCCCCC(OC)(CC)C=O
-10590	mol	CCCCCC(OCC(C)C)=O
-10591	mol	CCCCCC(OCC)CC=O
-10592	mol	CCCCC(C=O)=C=C(Cl)CC
-10593	mol	CC(C)C(C)C(O)C(CC)=O
-10594	mol	CC(C)C(C#C)OC#CC=O
-10595	mol	CCC(C(C)C=O)C(C)C=O
-10596	mol	CCC(C)C(=C(O)CC)C=O
-10597	mol	CCC(C)C(CO)CCC=O
-10598	mol	CCC(C)CC(O)C(C)C=O
-10599	mol	CCC(CC)(C=O)C(CC)=O
-10600	mol	CCCC(C(C)(OC)CC)=O
-10601	mol	CCCC(CC(O)CC)C=O
-10602	mol	CCCCC(C=O)C(CC)=O
-10603	mol	CCCCC(C(O)C)CC=O
-10604	mol	CCCCC(C(O)CC)C=O
-10605	mol	CCCCC(C)(OCC)C=O
-10606	mol	CCCCC(CO)C(C)C=O
-10607	mol	CCCCC(CO)C(CC)=O
-10608	mol	CC(C)CC(C=O)C(CC=O)c(cccc2C1CCCCC1)c2C
-10609	mol	CCC(C(C)C=O)C(C)C(O)=O
-10610	mol	CCCC(C(CO)CC)C(O)=O
-10611	mol	CCCCC(C(O)CC)C(O)=O
-10612	mol	CCCCCC(O)(CC)C(O)=O
-10613	mol	CC(C)CC(C=O)=C=C(F)O
-10614	mol	CCC(C)CC(O)CC(N)C(O)=O
-10615	mol	CCCCCC(O)CC(N)C(O)=O
-10616	mol	CC(C)(C#C)C(OC=C)=O
-10617	mol	CC(C)C(C)C(O)(C)C=O
-10618	mol	CC(C)C(CC=O)CC=O
-10619	mol	CC(C)CC(C=O)=CC=O
-10620	mol	CC(C)CC#COC(C)=O
-10621	mol	CC(C)CCC(OC#C)=O
-10622	mol	CCC(C)C(=C(O)C)C=O
-10623	mol	CCC(C)C(C)(OC)C=O
-10624	mol	CCC(C)C(CO)CC=O
-10625	mol	CCC(C)CC(OC#C)=O
-10626	mol	CCC(CC)C(O)(C)C=O
-10627	mol	CCC(CCC=O)CC=O
-10628	mol	CCCC(C(CO)CC)=O
-10629	mol	CCCC(C)(C(O)C)C=O
-10630	mol	CCCC#CC(OC#C)=O
-10631	mol	CCCCC(C(O)(C)C)=O
-10632	mol	CCCCC(C(O)C)C=O
-10633	mol	CCCCC(C(O)CC)=O
-10634	mol	CCCCC(CO)CCO
-10635	mol	CCCCC(CO)CC=O
-10636	mol	CCCCCC(O)(C)C=O
-10637	mol	CCCCCC(O)CC=O
-10638	mol	CCCCCC(OCC)=O
-10639	mol	CCC(CCC=O)C(C=O)c1ccccc1
-10640	mol	CCCC(CC)OC(CO)CC
-10641	mol	CCC(C(C)C=O)C(C=O)C=O
-10642	mol	CCC(C)C(C(O)C)COC=O
-10643	mol	CCC(C)C(CO)(CC=O)C=O
-10644	mol	CCC(CCC=O)CC(=O)C=O
-10645	mol	CCCC(CC(O)C)(C=O)C=O
-10646	mol	CCCCC(C=O)C#COC=O
-10647	mol	CCCCC(C(O)(C)C=O)C=O
-10648	mol	CCCCCC(O)(CC=O)C=O
-10649	mol	CC(C)C(CC=O)CC(O)=O
-10650	mol	CC(C)CC#COCC(O)=O
-10651	mol	CCC(C)CC(O)CC(O)=O
-10652	mol	CCCCC(C(O)C)C(O)=O
-10653	mol	CCCCC(CO)CC(O)=O
-10654	mol	CCCCCC(O)CC(O)=O
-10655	mol	CCC(CC(C=O)C(C(O)=O)c1ccccc1)C=O
-10656	mol	CCC=C(C)C(=O)C(F)=O
-10657	mol	CCCC(C)C(=O)C(F)=O
-10658	mol	CCC(C)C=C(O)C#N
-10659	mol	CCC(C)=CC(O)=C(N)C=C
-10660	mol	CCC(CC)C(O)(C)N(CC(C)C)C=O
-10661	mol	C#CC(C#C)(C=O)C=O
-10662	mol	C#CCCCCOC=O
-10663	mol	CC(C=C)=C(C=O)C=O
-10664	mol	CC(C(C)(C)C=O)C=O
-10665	mol	CC(C(C)C#C)OC=O
-10666	mol	CC(C)(C)C=C(O)C=O
-10667	mol	CC(C)(C)C(C)OC=O
-10668	mol	CC(C)(C)C#COC=O
-10669	mol	CC(C)(CC#C)OC=O
-10670	mol	CC(C)C=C(C=O)C=O
-10671	mol	CC(C)C(C)=C(O)C=O
-10672	mol	CC(C)C(C)(C)OC=O
-10673	mol	CC(C)C(C)COC=O
-10674	mol	CC(C)CC=C(O)C=O
-10675	mol	CC(C)CC=COC=O
-10676	mol	CC(C)CC(C=O)C=O
-10677	mol	CC(C)CC(C)OC=O
-10678	mol	CC(C)CC(CO)C=O
-10679	mol	CC(C)CC#COC=O
-10680	mol	CC(C)CCC(=O)C=O
-10681	mol	CC(C)CCCOC=O
-10682	mol	CC(C#C)=C(C=O)C=O
-10683	mol	CC(CC(C)C=O)C=O
-10684	mol	CC#CC#CC(=O)C=O
-10685	mol	CCC=C(CC)OC=O
-10686	mol	CCC(C(C)C=O)C=O
-10687	mol	CCC(C(C)C)OC=O
-10688	mol	CCC(C)(CC=O)C=O
-10689	mol	CCC(C)(CC)OC=O
-10690	mol	CCC(C)C(=CO)C=O
-10691	mol	CCC(C)C(C=O)C=O
-10692	mol	CCC(C)C(C)OC=O
-10693	mol	CCC(C)C(CO)C=O
-10694	mol	CCC(C)C#COC=O
-10695	mol	CCC(C)CC(O)C=O
-10696	mol	CCC(C)CCOC=O
-10697	mol	CCC(CC)(C=O)C=O
-10698	mol	CCC(CC)C(=O)C=O
-10699	mol	CCC(CC)C(O)C=O
-10700	mol	CCC(CC)COC=O
-10701	mol	CCC(CC#CO)C=O
-10702	mol	CCC(CCC=O)C=O
-10703	mol	CCC#CC#COC=O
-10704	mol	CCCC=CC(O)=CO
-10705	mol	CCCC(C)(C=O)C=O
-10706	mol	CCCC(C)C(=O)C=O
-10707	mol	CCCC(C)COC=O
-10708	mol	CCCC(CC=O)C=O
-10709	mol	CCCC(CC)OC=O
-10710	mol	CCCCC=C(O)C=O
-10711	mol	CCCCC=COC=O
-10712	mol	CCCCC(=CO)C=O
-10713	mol	CCCCC(C=O)C=O
-10714	mol	CCCCC(C(O)C)=O
-10715	mol	CCCCC(C)OC=O
-10716	mol	CCCCC(CO)CO
-10717	mol	CCCCC(CO)C=O
-10718	mol	CCCCC#COC=O
-10719	mol	CCCCCC(=O)C=O
-10720	mol	CCCCCC(O)C=O
-10721	mol	CCCCCCOC=O
-10722	mol	CCC(CCC(O)C=O)c1ccccc1
-10723	mol	CC(C)CC=C(OC=O)C=C
-10724	mol	CC(C)CC=C(OC=O)C#C
-10725	mol	CC(C)CC(C(O)C=O)C#C
-10726	mol	CC(C)CC#COC(=O)C#C
-10727	mol	CC(C)CCC(OC=O)C#C
-10728	mol	CC(CC#C)COC(=O)C=C
-10729	mol	CCC(C(C)C)OC(=O)C=C
-10730	mol	CCC(C)=CC(O)=C(O)C=C
-10731	mol	CCC(C)C=COC(=O)C=C
-10732	mol	CCC(C)C(C=O)=C(O)C#C
-10733	mol	CCC(C)C#COC(=O)C=C
-10734	mol	CCCCC(C=O)=C(O)C=C
-10735	mol	CCCCC(C)(OC=O)C=C
-10736	mol	CCCCC#COC(=O)C#C
-10737	mol	CCC(CCCOC=O)C(C)C
-10738	mol	CCCCC(CO)C(O)CC=C
-10739	mol	CCCC(C)C(O)C(OCC)CC=O
-10740	mol	CC(C)(C(C)C=O)C(O)(C)C=O
-10741	mol	CCCC(CC)(OC=O)CC=O
-10742	mol	CCCCCC(OC=O)CC=O
-10743	mol	CC(C)C(CC=O)(C=O)C=O
-10744	mol	CC(C)CC=C(OC=O)C=O
-10745	mol	CC(C)CC=COC(=O)C=O
-10746	mol	CC(C)CC(=COC=O)C=O
-10747	mol	CC(C)CC(C=O)=C(O)C=O
-10748	mol	CC(C)CC(C)(OC=O)C=O
-10749	mol	CC(C)CC#COC(=O)C=O
-10750	mol	CC(C)CCC(O)(C)OC=O
-10751	mol	CC(C)CCC(O)C(O)C=O
-10752	mol	CC(CC=C)C(OC=O)C=O
-10753	mol	CCC(C(C)(C=O)C=O)C=O
-10754	mol	CCC(C(C)C=O)(C=O)C=O
-10755	mol	CCC(C(CC=O)C=O)C=O
-10756	mol	CCCC(C(C=O)C=O)C=O
-10757	mol	CCCC(C)C(O)(C)OC=O
-10758	mol	CCCCC(C(O)C(O)C)=O
-10759	mol	CCCCC(CO)(C=O)C=O
-10760	mol	CCCCCC(O)C(=O)C=O
-10761	mol	CCC(CCC=O)C(O)(C=O)c1ccccc1
-10762	mol	CC(C)(CC#COC=O)C(O)=O
-10763	mol	CC(C)CC(C=O)C(=O)C(O)=O
-10764	mol	CCC(C)C#COC(=O)C(O)=O
-10765	mol	CCC(CC)COC(=O)C(O)=O
-10766	mol	CCCCC#COC(=O)C(O)=O
-10767	mol	CCCCC#COC(OC=O)=O
-10768	mol	CCCCCC(OC=O)C(O)=O
-10769	mol	CCCCCCOC(=O)C(O)=O
-10770	mol	CCCC(CC)OC(=O)N
-10771	mol	CC(=C)C#CC(=O)C(O)=O
-10772	mol	CC(C)C(C)(C=O)C(O)=O
-10773	mol	CC(C)C(C)(C)OC(O)=O
-10774	mol	CC(C)C#CC(OC=O)=O
-10775	mol	CC(C)CC=C(O)C(O)=O
-10776	mol	CC(C)CC(=CO)C(O)=O
-10777	mol	CC(C)CC#COC(O)=O
-10778	mol	CC(C)CCC(=O)C(O)=O
-10779	mol	CC(CC=C)(C=O)C(O)=O
-10780	mol	CC(CC=C)C(O)C(O)=O
-10781	mol	CCC(C=C)=C(O)C(O)=O
-10782	mol	CCC(C)(CC)OC(O)=O
-10783	mol	CCC(C)C=C(O)C(O)=O
-10784	mol	CCC(C)C(C=O)C(O)=O
-10785	mol	CCC(C)C(CO)C(O)=O
-10786	mol	CCC(C)CC(=O)C(O)=O
-10787	mol	CCC(C)CC(O)C(O)O
-10788	mol	CCC(C)CC(O)C(O)=O
-10789	mol	CCC(CC(C=O)C=O)=O
-10790	mol	CCC(CC)=C(O)C(O)=O
-10791	mol	CCC(CC)(C=O)C(O)=O
-10792	mol	CCCC(C)(C=O)C(O)=O
-10793	mol	CCCC(C)(C)OC(O)=O
-10794	mol	CCCC(C)C(=O)C(O)=O
-10795	mol	CCCC(C)C(O)C(O)=O
-10796	mol	CCCC(C#CO)C(O)=O
-10797	mol	CCCC(CC)OC(O)=O
-10798	mol	CCCCC=C(O)C(O)=O
-10799	mol	CCCCC(C=O)C(O)=O
-10800	mol	CCCCC(C(O)C=O)=O
-10801	mol	CCCCC(CO)C(O)=O
-10802	mol	CCCCC#COC(O)=O
-10803	mol	CCCCCC(=O)C(O)=O
-10804	mol	CCCCCC(O)C(O)=O
-10805	mol	CCCCCCOC(O)=O
-10806	mol	CC(C)CCC(OC=O)OC=O
-10807	mol	CCC(C)C=C(OC=O)OC=O
-10808	mol	CCC(CC)(COC=O)OC=O
-10809	mol	CCC(CCC=O)C(O)(O)C=O
-10810	mol	CCCC(C)(COC=O)OC=O
-10811	mol	CCC(C(C)(C)OC(O)=O)=O
-10812	mol	CC(=C)C#CC(=O)N
-10813	mol	CC(C)C=CC(=O)N
-10814	mol	CCC(C)(C)C(=O)N
-10815	mol	CCC(CC)C(O)N
-10816	mol	CCCC(C)C(=O)N
-10817	mol	CCCC(C)C(O)N
-10818	mol	CCCCC(C)ON
-10819	mol	CCCCCC(=O)N
-10820	mol	CCCCCC(O)N
-10821	mol	CCCC(C)C(=O)NC
-10822	mol	CCCCCC(O)(N)C
-10823	mol	CCCCCC(O)NCC
-10824	mol	CC(C)CCC(=O)NC(C)CC
-10825	mol	CCCCCC(O)N(CC)N
-10826	mol	CCC(CC=C)ONC=O
-10827	mol	CCC(CC)C(O)(N)C=O
-10828	mol	CCCCCC(O)(N)C=O
-10829	mol	CCCC(C)C(=O)NC(O)=O
-10830	mol	CCCC(C)C(O)(N)C(O)=O
-10831	mol	CCCC(C)C(=O)NF
-10832	mol	CCCCCC(=O)NN
-10833	mol	CCCCCC(O)NN
-10834	mol	CCCCCC(=O)N(N)C=O
-10835	mol	CCCC(C)C(=O)N(N)C(O)=O
-10836	mol	CC(C)C=CC(=O)N(=O)=O
-10837	mol	CCCC(=C=CO)N(=O)=O
-10838	mol	C=CCC=CC(O)=O
-10839	mol	C=CCC#CC(O)=O
-10840	mol	CC(C)(C=C)C(O)=O
-10841	mol	CC(C)(C#C)C(O)=O
-10842	mol	CC(C)C(C)=C(O)O
-10843	mol	CC(C)C(C)C(O)=O
-10844	mol	CC(C)C(CC=O)=O
-10845	mol	CC(C)C#CC(O)=O
-10846	mol	CC(C)CC=C(O)O
-10847	mol	CC(C)CCC(O)=O
-10848	mol	CC(CC=C)C(O)=O
-10849	mol	CC(CC#C)C(O)=O
-10850	mol	CCC=C(C)C(O)=O
-10851	mol	CCC(=CC)C(O)=O
-10852	mol	CCC(C=C)C(O)=O
-10853	mol	CCC(C(C)C=O)=O
-10854	mol	CCC(C)(C)C(O)=O
-10855	mol	CCC(C)C=C(O)O
-10856	mol	CCC(C)CC(O)O
-10857	mol	CCC(C)CC(O)=O
-10858	mol	CCC(C#C)C(O)=O
-10859	mol	CCC(CC)C(O)=O
-10860	mol	CCCC=CC(O)=O
-10861	mol	CCCC(=C)C(O)=O
-10862	mol	CCCC(C)C(O)=O
-10863	mol	CCCC(CC=O)=O
-10864	mol	CCCC#CC(O)=O
-10865	mol	CCCCC=C(O)O
-10866	mol	CCCCC(CO)=O
-10867	mol	CCCCCC(O)O
-10868	mol	CCCCCC(O)=O
-10869	mol	CCC(CC)C(O)(O)C
-10870	mol	CCCCCC(O)(O)C
-10871	mol	CC(C)Cc(c(O)oc1C)c1O
-10872	mol	CCC(C)c(c(O)oc1C)c1O
-10873	mol	CCCCc(c(O)oc1C)c1O
-10874	mol	CC(C)(C(C)C(O)=O)C=C
-10875	mol	CC(C)CC(=C(O)O)C=C
-10876	mol	CCC(C)C(=C(O)O)C=C
-10877	mol	CCC(CC)C(O)(O)C=C
-10878	mol	CCCC(CC(O)=O)C#C
-10879	mol	CCCCC(=C(O)O)C=C
-10880	mol	CC(C)C(CC(O)=O)Cc1cc(C)ccc1C=O
-10881	mol	CCCC(CC(O)=O)Cc1cc(C)ccc1C=O
-10882	mol	CC(C)CC(C(O)=O)=CC#C
-10883	mol	CCC(C)C(C(O)=O)=CC=C
-10884	mol	CCC(C)C(C(O)=O)=CC#C
-10885	mol	CCC(C)CC(O)OC(C)C
-10886	mol	CCC(C)C(C(O)=O)=C(C)C=C
-10887	mol	CCCCCC(O)OC(C)CC
-10888	mol	CC(C)C(CC(O)=O)Cc(cc1C)c(C=O)cc1CCC
-10889	mol	CCCC(CC(O)=O)Cc(cc1C)c(C=O)cc1CCC
-10890	mol	CCCCCC(O)(O)C(CC)CC(C)C
-10891	mol	CC(C)CC(C(O)=O)=C=CC=O
-10892	mol	CCC(C(C)C(O)=O)C(CC)=O
-10893	mol	CCC(CCC(O)=O)CC=O
-10894	mol	CCCCC(C(O)(O)C)C=O
-10895	mol	CCCCC(C(O)(O)CC)=O
-10896	mol	CCC(C)C(C(O)=O)=CC(O)=O
-10897	mol	CCC(CC)C(O)(O)CC(O)=O
-10898	mol	CC(C)C(CC(O)=O)C=O
-10899	mol	CC(C)CC=C(O)OC=O
-10900	mol	CC(CC(C)C(O)=O)C=O
-10901	mol	CCC(C)(CC(O)=O)C=O
-10902	mol	CCC(CCC(O)=O)C=O
-10903	mol	CCCC(CC(O)=O)C=O
-10904	mol	CCCCC(=C(O)O)C=O
-10905	mol	CCCCCC(O)(O)C=O
-10906	mol	CCCCC(C(O)=O)=C(O)C=O
-10907	mol	CCC(C=C)C(O)(O)C(=O)N
-10908	mol	CC(C)CC(C(O)=O)C(O)=O
-10909	mol	CCC(C)C(C(O)=O)C(O)=O
-10910	mol	CCCC(C)(C(O)=O)C(O)=O
-10911	mol	CCCCC(C(O)=O)C(O)=O
-10912	mol	CCCCC(C(O)(O)C=O)=O
-10913	mol	CCCCCC(O)(O)C(O)=O
-10914	mol	CCCC(C)C(=O)ONC=O
-10915	mol	CCC(C)CC(O)(O)O
-10916	mol	CCC(CCC(O)=O)=O
-10917	mol	CCCC(CC(O)=O)=O
-10918	mol	CCCCC(C(O)O)=O
-10919	mol	CCC(C(C)C)[Si](F)(Br)C=O
-10920	mol	CCC(C(C)C)[Si](F)(C=O)C=C
-10921	mol	CC(CC#C)C[Si](F)(C=O)C=O
-10922	mol	CCC(C)=C=C[Si](F)(F)C=C
-10923	mol	CCCC=C=C[Si](F)(F)C=O
-10924	mol	CC(CC#C)C[Si](F)(O)C=O
-10925	mol	CC(C)CC#C[SiH3]
-10926	mol	CCC(C)C=C[SiH3]
-10927	mol	CCC#CC=C[SiH3]
-10928	mol	CCCC=C=C[SiH3]
-10929	mol	CCC(C(C)(C)[SiH3])C#C
-10930	mol	CCC(C=C)=C([SiH3])C#CC=C
-10931	mol	CCCCC=C([SiH3])C#CCC
-10932	mol	CCCCC=C([SiH3])C(CCl)C=C
-10933	mol	CCCCC=C([SiH3])C#CC=O
-10934	mol	CC(C)CCC([SiH3])=C(Cl)C=C=C
-10935	mol	CCC(C)C=C([SiH3])C=O
-10936	mol	CCC(C(C)(C)[SiH3])N(=O)=O
-10937	mol	CCC(C(C)C)[SiH](Br)C=O
-10938	mol	CCC=C=CF
-10939	mol	CCC(=C=C(F)Br)C=C=C
-10940	mol	CCCCC(F)C
-10941	mol	CC(C)CC(F)=C=C
-10942	mol	CC(C)CC(F)(C)C
-10943	mol	CCC=C=C(F)CC
-10944	mol	CCC=C=C(F)C=C
-10945	mol	CCCCC(F)CC
-10946	mol	CCCCC(F)(C)C
-10947	mol	CCc(cc(F)cc1N)c1O
-10948	mol	CCc(cc(F)cc1O)c1F
-10949	mol	CC(C)CC(F)=CC#C
-10950	mol	CCC(=C=CF)C=C=C
-10951	mol	CCCCC(F)CCC
-10952	mol	CC(C)c(c(F)ccc1O)c1O
-10953	mol	CC(C)CC(F)(C)C=C=C
-10954	mol	CCC(CC(F)C)C(C)C
-10955	mol	CCCCC(F)(C)C=C=C
-10956	mol	C=CC#CC(F)=C(C#C)C=C
-10957	mol	CCCCC(F)(CC)CCC
-10958	mol	CCCCC(F)CC(N)(N)C
-10959	mol	CC(C)CC(F)=CC=O
-10960	mol	CC(C)CC(F)(C)C=O
-10961	mol	CC(C)CC(F)=C=C(O)O
-10962	mol	CC(C)CC(F)=C(F)N
-10963	mol	CCCCC(F)Cl
-10964	mol	CCCCC(F)CN
-10965	mol	CCCC(=C(F)C)NC(O)=O
-10966	mol	CCCC(=C(F)C)N(O)C(O)=O
-10967	mol	CC(C)CC(F)(C)N(=O)=O
-10968	mol	CCCC(=C(F)C)N(O)OC=O
-10969	mol	CCCCC(F)C(O)C(N)(N)C
-10970	mol	CC(C)CC(F)(CO)C=O
-10971	mol	CCC(=C=CF)C(O)=O
-10972	mol	CCC=C=C(F)F
-10973	mol	CCC(C)C(F)(F)C(F)(F)F
-10974	mol	CCCCC(F)(F)F
-10975	mol	CCC=C=C(F)N
-10976	mol	CC(C)CC(F)=O
-10977	mol	CCCC(C(F)=O)C(O)=O
-10978	mol	CCC=C=C(F)[SiH3]
-10979	mol	CCCCCl
-10980	mol	CC(C)(C)Cl
-10981	mol	CCC=CCl
-10982	mol	CCC(C)Cl
-10983	mol	CC(C)C(Cl)Br
-10984	mol	CC(C)C(Cl)c1ccccc1
-10985	mol	CC(C)C(Cl)C1CC=CO1
-10986	mol	CCC(CCl)C1CC=CO1
-10987	mol	CC(C)C(Cl)C1C=COC1
-10988	mol	CCC(C)(Cl)CC
-10989	mol	CCCC(Cl)CC
-10990	mol	CCCC(Cl)=C=C
-10991	mol	CC(C)C(Cl)C(C)C
-10992	mol	CCCC(Cl)C(C)C
-10993	mol	CCCC(Cl)CC(C)C
-10994	mol	CC(C)C(Cl)=C=CC=C=C
-10995	mol	CCC(C)(Cl)C(C)(C)C#C
-10996	mol	CC(C)C(Cl)=C=C(C=C)C=C=C
-10997	mol	CCC(CCl)CC(F)(C)CC
-10998	mol	CC(C)C(Cl)(Cl)c1ccccc1
-10999	mol	CC(C)C(Cl)(Cl)C1CCCCC1
-11000	mol	CC(C)C(Cl)C(OBr)=O
-11001	mol	CCC(CCl)N(=O)=O
-11002	mol	CCCC(Cl)N(=O)=O
-11003	mol	CCCC(Cl)=O
-11004	mol	CC(C)C(Cl)OC=O
-11005	mol	C=C=CC=CN
-11006	mol	C=C=CC(=C)N
-11007	mol	C#CC=C=CN
-11008	mol	CC=C=CC#N
-11009	mol	CC(C)CC#N
-11010	mol	CCC=C=CN
-11011	mol	CCC(C)C#N
-11012	mol	CCCC(=C)N
-11013	mol	CCCCC#N
-11014	mol	C=CC=C=CN1CCCCC1
-11015	mol	CCC(CC)N(Br)C(=O)N
-11016	mol	CCC(C)C(N)C
-11017	mol	CCCCC(N)C
-11018	mol	CC(C)C(C#N)c1ccccc1
-11019	mol	CCCCCNC1CCCCC1
-11020	mol	CC(C)CC(N)C1CCCCC1
-11021	mol	CCCCC(N)C1CCCCC1
-11022	mol	CC(C)CC(N)(C1CCCCC1)C(=O)N
-11023	mol	CCCCCN(C1CCCCC1)N
-11024	mol	CC(C)CC(N)C1CCCCCCC1
-11025	mol	CCCCC(N)C1CCCCCCC1
-11026	mol	C=C=CC(C#N)=C=C
-11027	mol	C=CC=C=C(N)C=C
-11028	mol	C=CC=C(C#N)C=C
-11029	mol	CCC(C)(C#N)C=C
-11030	mol	CCC(C)C(N)(C)C
-11031	mol	CCCC(C#N)C=C
-11032	mol	CCCC(CN)CC
-11033	mol	CCCC(CN)C=C
-11034	mol	CCCCC(N)CC
-11035	mol	CCCCC(N)(C)C
-11036	mol	CCCCC(NCC1)CC1[SiH3]
-11037	mol	CCC(C)CNC(C1CCCCC1)=O
-11038	mol	CCc(cc(N)cc1O)c1O
-11039	mol	CCCC(C#N)=C=CBr
-11040	mol	C=C=CC=C(N)C=C=C
-11041	mol	CCC(C)C(N)C(C)C
-11042	mol	CCCC(CN)CCC
-11043	mol	CCCC(CN)C(C)C
-11044	mol	CCCCC(N)CCC
-11045	mol	CCCCC(N)(C)CC
-11046	mol	CCCCCN(C)CC
-11047	mol	CCCCCNC(C)C
-11048	mol	CC(C)C(C#N)=C=CC=C
-11049	mol	CC(C)CC(N)CC(C)C
-11050	mol	CCC(C)C(N)=CC(C)C
-11051	mol	CCCC(C)NC(C)CC
-11052	mol	CCCC(C)NCC(C)C
-11053	mol	CCCCC(N)(C)C(C)C
-11054	mol	CCCCC(N)(CC)CC
-11055	mol	CCCCCN(CC)CC
-11056	mol	CCCCCNC(C)CC
-11057	mol	CCCCCNCC(C)C
-11058	mol	CCC(C)C(N)(C(C)C)c1ccccc1
-11059	mol	CCCCCNCCCCC
-11060	mol	CCCC(C)N(C(C)C)C=C
-11061	mol	CCCC(C)N(CCC)C=C
-11062	mol	CCCC(CN)(C(C)C)C=C
-11063	mol	CCCC(CN)(CCC)C=C
-11064	mol	CCCC(CN)CC(C)CC
-11065	mol	CCCCC(N)(C)C(C)CC
-11066	mol	CCCCC(N)(CC)CCC
-11067	mol	CCCCC(N)CC(C)CC
-11068	mol	CCCCC(N)CCC(C)C
-11069	mol	CCCCCN(CC)CCC
-11070	mol	CCCCCNCCCCCC
-11071	mol	CCCC(C)N(C(C)CC)C=C
-11072	mol	CCCCC(N)C(C)CC(C)C
-11073	mol	CCCCC(N)CCCC(C)C
-11074	mol	CCCCCNC(CC)CCC
-11075	mol	CCCCCNCC(C)CCC
-11076	mol	CCCCCNCCCCCCC
-11077	mol	CCCC(CN)CC(CC)CCC
-11078	mol	CCCCC(N)(CCC)CCCC
-11079	mol	CCCCC(N)(CCC)CC(C)C
-11080	mol	CCCCC(N)C(CC)CCCC
-11081	mol	CCCCC(N)CC(C)C(C)CC
-11082	mol	CCCCC(N)CC(CC)CCC
-11083	mol	CCCCC(N)CCCCC(C)C
-11084	mol	CCCCCN(C)C(CC)CCC
-11085	mol	CCCCCNC(CC)CCCC
-11086	mol	CCCCC(N)CCC(C)CCCC
-11087	mol	CCCCCN(CCCC)CC(C)C
-11088	mol	CCCC(C)N(CCC)C(CC)CCC
-11089	mol	CCCCC(N)CC(C)C(CC)CCC
-11090	mol	CCCCC(N)CC(CCC)CCCC
-11091	mol	CCCCC(N)CCC(CCCC)C(C)C
-11092	mol	CCCCCN(C(CCCC)CC(C)C)N
-11093	mol	CCCCC(N)(C(CC)CC(C)C)OC=O
-11094	mol	CCCCC(N)CC(C)(C(C)CC)OC=O
-11095	mol	CCCCCNC(CCCCC)=O
-11096	mol	CCCCC(N)(C)C(CCC)C(O)=O
-11097	mol	CCCCCN(CCCCC)N
-11098	mol	CCCCC(N)(CCC)CCNC(=O)N
-11099	mol	CCC(C)C(N)(C(C)C)CC=O
-11100	mol	CCCCC(N(CC)CC)C=O
-11101	mol	CCCCC(N)(C(C)C)CC=O
-11102	mol	CCCCCNC(C(C)CC)=O
-11103	mol	CCCCCN(C(C)(C)C)N
-11104	mol	CCCCC(N)(CCC)C(ON)=O
-11105	mol	CCC(C)CN(C(C)C)C(O)=O
-11106	mol	CCC(C)C(N)(CCCC(O)=O)C(O)=O
-11107	mol	CCCCC(N)(CCC)C(=O)ONC(=O)N
-11108	mol	CCC(C)C(N)(CCCC(O)=O)OC=O
-11109	mol	CCCCC(N)CCC(N)C
-11110	mol	CCC(C)C(N)CCC(O)C
-11111	mol	CCCCCNC(CCO)CCCC
-11112	mol	CCCCC(N)C(C)C(O)=O
-11113	mol	CCCCC(N)CC(F)(N)C
-11114	mol	CCCCCN(CC)N
-11115	mol	CCCCC(N)CC(N)C
-11116	mol	CCCC(C(N)CC(N)C)C1CCCCC1
-11117	mol	CC(C)C(C)N(CC)NC(C)C
-11118	mol	CCCCC(N)CC(N)(C)CC
-11119	mol	CC(C)C(CN(CC)N)C(O)=O
-11120	mol	CCCCCN(CCN)N
-11121	mol	C=C=CC(C#N)=CC=O
-11122	mol	CC(C)CC(N)(C)C=O
-11123	mol	CCCCC(N)CC=O
-11124	mol	CCCCC(N)CC(O)(N)C
-11125	mol	CC(C)CC(N)CC(O)=O
-11126	mol	CCCCC(N)(C)C(O)=O
-11127	mol	CCCCC(N)CC(O)=O
-11128	mol	CC(C)CC(N)C(C(O)=O)C(=O)N
-11129	mol	CCCCC(N)C(F)(N)CC
-11130	mol	CC(C)C(C#N)C#N
-11131	mol	CCCCC(N)C(N)C
-11132	mol	CC(C)CC(N)C(N)(C)C
-11133	mol	CCCCC(N)C(N)CC
-11134	mol	CCCCC(N)(C(N)CC)CCNC(=O)N
-11135	mol	CCCC(C(N)C(N)CC)C=O
-11136	mol	CC(C)C(C#N)(C#N)C(O)=O
-11137	mol	CC(C)CC(N)C(N)(C(O)=O)C(=O)N
-11138	mol	CC(C)CC(N)C(N)(N)C
-11139	mol	CC(C)CC(N)C(N)(N)C(N)(N)N
-11140	mol	C=CCCCNC=O
-11141	mol	C#CC=C(C#N)C=O
-11142	mol	CCC(CC)NC=O
-11143	mol	CCCC(C)NC=O
-11144	mol	CCCCC(N)CO
-11145	mol	CCCCC(N)C=O
-11146	mol	CCCCCNC=O
-11147	mol	CCCCCNC(Oc1ccccc1)=O
-11148	mol	CCC(C(C#N)C=O)C=C
-11149	mol	CCCCC(N)C(O)CC
-11150	mol	CCC(CC)NC(O)(C)NC=O
-11151	mol	CCCCC(N)COC=O
-11152	mol	CCCCCNC(=O)C=O
-11153	mol	CCCCC(N)C(=O)C(O)=O
-11154	mol	CC(C)CC(N)C(=O)N
-11155	mol	CCC(CC)NC(=O)N
-11156	mol	CCCCCNC(=O)N
-11157	mol	CC(C)C(C#N)C(O)=O
-11158	mol	CCCCC(N)C(O)=O
-11159	mol	CCCCCNN
-11160	mol	C=C=CC=C(N)N
-11161	mol	CCC(C)C(N)N
-11162	mol	CCC(CC)NN
-11163	mol	CCCC(C)NN
-11164	mol	CCCCC(N)N
-11165	mol	CC(C)CC(N)(N)C1CCCCCCC1
-11166	mol	CCCCC(N)(N)CC
-11167	mol	CCCC(C)NN(C)CC
-11168	mol	CCCCC(N)(N)CCC
-11169	mol	CCCCC(N)N(CC)CC
-11170	mol	CCCCCNNC(CC)CCCC
-11171	mol	CC(C)CC(N)(N)C(N)(N)C
-11172	mol	CC(C)CC(N)(N)C=O
-11173	mol	CCCC(C)NNC=O
-11174	mol	CCCCCN(N)C(=O)N
-11175	mol	CCCC(C)N(N)C(O)=O
-11176	mol	CCCCC(N)(N)N
-11177	mol	CCCCCN(N)N
-11178	mol	CCCCCN(N)NC=O
-11179	mol	CCCCC(N)N(O)CC
-11180	mol	C=CC=C=C(N)N(=O)=O
-11181	mol	CC(C)C(C#N)N(=O)=O
-11182	mol	CCCCC(NO)CCC
-11183	mol	CCCCCN(O)CCCC
-11184	mol	CCCCCN(O)C(=O)N
-11185	mol	CCCC(C)(NO)C(O)=O
-11186	mol	CCCCCN(O)C(O)=O
-11187	mol	CCC(CC)N(O)N
-11188	mol	CCC(CC)NONN
-11189	mol	CCC(CC)N(ONN)N
-11190	mol	C=C=C(C=C)N(=O)=O
-11191	mol	C=C=CC=CN(=O)=O
-11192	mol	C=C=CC(=C)N(=O)=O
-11193	mol	C=C=CC#CN(=O)=O
-11194	mol	C=CC=C=CN(=O)=O
-11195	mol	C#CC=C=CN(=O)=O
-11196	mol	C#CC(=C=C)N(=O)=O
-11197	mol	CC(C)(C=C)N(=O)=O
-11198	mol	CC(C)C(C)N(=O)=O
-11199	mol	CC(C)CCN(=O)=O
-11200	mol	CCC=C=CN(=O)=O
-11201	mol	CCC(C)CN(=O)=O
-11202	mol	CCCC(C)N(=O)=O
-11203	mol	CCCCCN(=O)=O
-11204	mol	CCC(C)C(N)[SiH3]
-11205	mol	C#CC=CC=O
-11206	mol	C#CC(=C)C=O
-11207	mol	C#CC#CC=O
-11208	mol	C#CCCC=O
-11209	mol	CC=C=CC=O
-11210	mol	CC=C(C)C=O
-11211	mol	CC(C)(C)C=O
-11212	mol	CC(C)C=CO
-11213	mol	CC(C)C(C)=O
-11214	mol	CC(C)C#CO
-11215	mol	CC(C)CC=O
-11216	mol	CC(C#C)C=O
-11217	mol	CC#CC=CO
-11218	mol	CCC=C=CO
-11219	mol	CCC=CC=O
-11220	mol	CCC(=C)C=O
-11221	mol	CCC(C)=CO
-11222	mol	CCC(C)C=O
-11223	mol	CCC(CC)=O
-11224	mol	CCC#CC=O
-11225	mol	CCCC=CO
-11226	mol	CCCC(C)=O
-11227	mol	CCCC#CO
-11228	mol	CCCCC=O
-11229	mol	CC(C)c(co1)cc1C
-11230	mol	CCCc(co1)cc1C
-11231	mol	CCCC(CO1)CC1C
-11232	mol	CCCC(CO1)CC1CC
-11233	mol	CCCc(co1)cc1Cl
-11234	mol	CC(C)c(co1)cc1O
-11235	mol	CCCc(co1)cc1O
-11236	mol	CCCC(CO1)CC1O
-11237	mol	CC(C)CC(OBr)=O
-11238	mol	CC(C)(C)C(O)=C
-11239	mol	CC(C)C=C(O)C
-11240	mol	CC(C)CC(O)=C
-11241	mol	CCC(C)=C(O)C
-11242	mol	CCC(C)C(O)C
-11243	mol	CCC(C)C(O)=C
-11244	mol	CCCC=C(O)C
-11245	mol	CCCC(C)OC
-11246	mol	CCCC#COC
-11247	mol	CCCCC(O)C
-11248	mol	CCCCC(O)=C
-11249	mol	CC(C)CC(OC1Br)=CC1
-11250	mol	CC(C)CC(OC1Br)=CC1[SiH3]
-11251	mol	CC(C)(C)c(oc1)cc1C
-11252	mol	CC(C)Cc(oc1)cc1C
-11253	mol	CCC(C)c(oc1)cc1C
-11254	mol	CCCCc(oc1)cc1C
-11255	mol	CC(C)CC(OC1)CC1C
-11256	mol	CCCCC(OC1)CC1C
-11257	mol	CCCc(coc1C)c1C=C
-11258	mol	CC(C)Cc(oc1)cc1CC
-11259	mol	CCC(C)c(oc1)cc1CC
-11260	mol	CCCCc(oc1)cc1CC
-11261	mol	CCCCc(oc1)cc1CCC
-11262	mol	CCCCC(OC1)=CC1CCC
-11263	mol	CC(C)(C)c(oc1)cc1F
-11264	mol	CC(C)Cc(oc1)cc1F
-11265	mol	CCC(C)c(oc1)cc1F
-11266	mol	CC(C)Cc(oc1)cc1N
-11267	mol	CC(C)Cc(oc1)cc1O
-11268	mol	CCC(C)c(oc1)cc1O
-11269	mol	CCCCc(oc1)cc1O
-11270	mol	CCC(C)C(OC1)CC1O
-11271	mol	CCCCC(OC1)CC1O
-11272	mol	CC(C)CC(OC1)=CC1OC=O
-11273	mol	CC(C)CC(OC1)CC1[SiH3]
-11274	mol	CCC(C)c(oc1C)cc1C=O
-11275	mol	CCCCC(OC1C=C)=CC1
-11276	mol	CCCCC(OC1CC)=CC1
-11277	mol	CCC(C)c(oc1C)c(C)c1C
-11278	mol	CCC(C)c(oc1C)c(C)c1O
-11279	mol	CC(C)CCOc1ccccc1
-11280	mol	CC(C)(CC=O)c1ccccc1
-11281	mol	CC(C)C=C(O)c1ccccc1
-11282	mol	CC(C)C(=CO)c1ccccc1
-11283	mol	CC(C)C(C=O)c1ccccc1
-11284	mol	CC(C)CC(=O)c1ccccc1
-11285	mol	CC(C)CC(O)c1ccccc1
-11286	mol	CC(CCC=O)c1ccccc1
-11287	mol	CCC(C(C)=O)c1ccccc1
-11288	mol	CCC(C)COc1ccccc1
-11289	mol	CCC(C)=C(O)c1ccccc1
-11290	mol	CCC(C)(C=O)c1ccccc1
-11291	mol	CCC(C)C(=O)c1ccccc1
-11292	mol	CCC(CC=O)c1ccccc1
-11293	mol	CCC(CC)Oc1ccccc1
-11294	mol	CCCC=C(O)c1ccccc1
-11295	mol	CCCC(=CO)c1ccccc1
-11296	mol	CCCC(C=O)c1ccccc1
-11297	mol	CCCC(CO)c1ccccc1
-11298	mol	CCCCC(=O)c1ccccc1
-11299	mol	CCCCC(O)c1ccccc1
-11300	mol	CC(C)CCOC1CCCCC1
-11301	mol	CC(C)(C)C(O)C1CCCCC1
-11302	mol	CC(C)C(C)OC1CCCCC1
-11303	mol	CC(C)CC(O)C1CCCCC1
-11304	mol	CCC(C)COC1CCCCC1
-11305	mol	CCC(C)C(O)C1CCCCC1
-11306	mol	CCC(CC)OC1CCCCC1
-11307	mol	CCCC(C)OC1CCCCC1
-11308	mol	CCCC(CO)C1CCCCC1
-11309	mol	CCCCC(O)C1CCCCC1
-11310	mol	CCC(C)(C=O)c1ccccc1C
-11311	mol	CCC(C(C=O)c1ccccc1)C(=O)N
-11312	mol	CC(C)CC(O)(C1CCCCC1)C(=O)N
-11313	mol	CC(C)C=C(O)C1CCCO1
-11314	mol	CC(C)C=C(O)C1CC=CO1
-11315	mol	CC(C)CC(=O)C1=CCCO1
-11316	mol	CC(C)CC(O)C1CC=CO1
-11317	mol	CC(C)CCOC1CC=CO1
-11318	mol	CCC(C)=C(O)C1CCCO1
-11319	mol	CCC(C)C(O)C1CCCO1
-11320	mol	CCC(C)C(O)C1CC=CO1
-11321	mol	CCCC=C(O)C1CCCO1
-11322	mol	CCCC(CO)C1=CCCO1
-11323	mol	CCCC(CO)C1CC=CO1
-11324	mol	CCCCC(O)C1CC=CO1
-11325	mol	CC(C)CC(OC1CC=CO1)=O
-11326	mol	CC(C)CC(OC1CCCO1)=O
-11327	mol	CCCCC(OC1CC=CO1)=O
-11328	mol	CCCCC(OC1CCCO1)=O
-11329	mol	CCCC(C=O)c1cc(C=O)ccc1
-11330	mol	CCCC(C=O)c1ccoc1C
-11331	mol	CCCCC(OC1CCOC1)=O
-11332	mol	CC(C)CC(OC1Cl)=CC1
-11333	mol	CC(C)CC(OC1C#N)=CC1
-11334	mol	CC(C)(C)C(=O)c1cocc1
-11335	mol	CC(C)(CC=O)c1cocc1
-11336	mol	CC(C)C(=CO)c1cocc1
-11337	mol	CC(C)CC(=O)c1cocc1
-11338	mol	CCC(C)COc1cocc1
-11339	mol	CCC(C)(C=O)c1cocc1
-11340	mol	CCC(C)C(=O)c1cocc1
-11341	mol	CCC(C)C(O)c1cocc1
-11342	mol	CCCC(=CO)c1cocc1
-11343	mol	CCCC(C=O)c1cocc1
-11344	mol	CCCCC(=O)c1cocc1
-11345	mol	CC(C)CC(=O)C1=COCC1
-11346	mol	CC(C)CC(O)C1=COCC1
-11347	mol	CCCCC(O)C1=COCC1
-11348	mol	CCCCC(OC1C=O)=CC1
-11349	mol	CCCCC(OC1C(O)=O)=CC1
-11350	mol	CCCC(COC1F)C1O
-11351	mol	CC(C)Cc(oc1F)cc1C#C
-11352	mol	CCCc(coc1O)c1C
-11353	mol	CC(C)c(coc1O)c1C(O)=O
-11354	mol	CC(C)c(coc1O)c1OC=O
-11355	mol	CCCc(coc1O)c1OC=O
-11356	mol	CC(C)Cc(oc1O)cc1C=C
-11357	mol	CCC(C)c(oc1O)cc1C=C
-11358	mol	CC(C)CCOc1occc1
-11359	mol	CC(C)(C)C(O)c1occc1
-11360	mol	CC(C)(CC=O)c1occc1
-11361	mol	CC(C)C=C(O)c1occc1
-11362	mol	CC(C)C(=CO)c1occc1
-11363	mol	CC(C)CC(=O)c1occc1
-11364	mol	CC(C)CC(O)c1occc1
-11365	mol	CC(CCC=O)c1occc1
-11366	mol	CCC(C)C(=O)c1occc1
-11367	mol	CCCC(C=O)c1occc1
-11368	mol	CCC(C)c(oc1O)c(C)c1C
-11369	mol	CCC(C)c(oc1O)c(C)c1O
-11370	mol	CCC(C)c(oc1O)c(O)c1C
-11371	mol	CCCCc(oc1O)c(O)c1C
-11372	mol	CCCCC(OC1OC=O)=CC1
-11373	mol	CCC(C)C(OC1[SiH3])CC1C=C
-11374	mol	CCC(C)C(OC1[SiH3])CC1C#N
-11375	mol	CCCCC(OC1[SiH3])CC1C#N
-11376	mol	CCCCC(O)=CBr
-11377	mol	C=CC=C(C=O)C=C
-11378	mol	C=CC=CC(=O)C=C
-11379	mol	C=CC#CC(=O)C=C
-11380	mol	C=CC#CC(=O)C#C
-11381	mol	C=CCC=C(O)C=C
-11382	mol	C#CC=CC(=O)C=C
-11383	mol	C#CC(=C)C(=O)C=C
-11384	mol	C#CC(CC=O)C=C
-11385	mol	C#CC(CC=O)C#C
-11386	mol	C#CC#CC(=O)C#C
-11387	mol	C#CCC(C=O)C=C
-11388	mol	C#CCCC(=O)C#C
-11389	mol	CC=CC=C(O)C=C
-11390	mol	CC=CC(=CO)C=C
-11391	mol	CC(=C)CC(=O)C=C
-11392	mol	CC(C=C)C(=O)C=C
-11393	mol	CC(C)(C)C(=O)C#C
-11394	mol	CC(C)C=C(O)C=C
-11395	mol	CC(C)C=COC=C
-11396	mol	CC(C)C(=CO)C=C
-11397	mol	CC(C)C(=CO)C#C
-11398	mol	CC(C)C(C=O)C=C
-11399	mol	CC(C)C(C)OC=C
-11400	mol	CC(C)C#COC#C
-11401	mol	CC(C)CC(=O)C=C
-11402	mol	CC(C)CC(=O)C#C
-11403	mol	CC(C)CC(O)(C)C
-11404	mol	CC(C)CC(O)C=C
-11405	mol	CC(C)CCOC#C
-11406	mol	CC(C#C)=C(O)C=C
-11407	mol	CC(C#C)C(=O)C#C
-11408	mol	CC(CCC=O)C=C
-11409	mol	CC#CC=C(O)C#C
-11410	mol	CCC=C(C=O)C=C
-11411	mol	CCC=C(C)OC=C
-11412	mol	CCC(C)(C)OC=C
-11413	mol	CCC(C)C(=O)C=C
-11414	mol	CCC(C)C(O)(C)C
-11415	mol	CCC(C)C(O)C=C
-11416	mol	CCC(C)COC=C
-11417	mol	CCC(C)COC#C
-11418	mol	CCC(CC=O)C=C
-11419	mol	CCC#CC(=O)C#C
-11420	mol	CCCC=C(O)CC
-11421	mol	CCCC=C(O)C=C
-11422	mol	CCCC=COC=C
-11423	mol	CCCC=COC#C
-11424	mol	CCCC(=CO)C=C
-11425	mol	CCCC(C=O)C=C
-11426	mol	CCCC(C)OC#C
-11427	mol	CCCC(CO)CC
-11428	mol	CCCC(CO)C=C
-11429	mol	CCCC(CO)C#C
-11430	mol	CCCC#COC=C
-11431	mol	CCCC#COC#C
-11432	mol	CCCCC(=O)C=C
-11433	mol	CCCCC(=O)C#C
-11434	mol	CCCCC(O)CC
-11435	mol	CCCCC(O)=CC
-11436	mol	CCCCC(O)(C)C
-11437	mol	CCCCC(O)C=C
-11438	mol	CCCCC(O)C#C
-11439	mol	CCCCCOC=C
-11440	mol	CCCCCOC#C
-11441	mol	CCC(C)C(OCC1)=C1C
-11442	mol	CCc(cc(O)cc1C)c1C
-11443	mol	CC(C)Cc(occ1C)c1C
-11444	mol	CCC(C)c(occ1C)c1C
-11445	mol	CCc(cc(O)cc1C)c1CC
-11446	mol	CCc(cc(O)cc1C)c1C=O
-11447	mol	CC(C)(C)c(occ1C)c1C=O
-11448	mol	CC(C)(C)c(occ1C)c1O
-11449	mol	CC(C)Cc(occ1C)c1O
-11450	mol	CCC(C)c(occ1C)c1O
-11451	mol	CCCCc(occ1C)c1O
-11452	mol	CCC(C)c(occ1CC)c1C
-11453	mol	CC(C)Cc(occ1CC)c1O
-11454	mol	CCCCc(occ1CC)c1O
-11455	mol	CC(C)C(C=O)Cc1ccccc1
-11456	mol	CCC(C)C(O)Cc1ccccc1
-11457	mol	CCCC(C=O)Cc1ccccc1
-11458	mol	CCCC(C)OCc1ccccc1
-11459	mol	CCC(C)C(O)CC1CCCCC1
-11460	mol	CCCCC(O)(C)C1CCCCC1
-11461	mol	CC(C)(C)C(O)=CC1CC=CO1
-11462	mol	CC(C)C(C(O)=C)C1=CCCO1
-11463	mol	CC(C)CC(O)=CC1CCCO1
-11464	mol	CCc(c(C=O)cc1C)c(C=O)c1C=O
-11465	mol	CC(C)CC(O)=CC1CCOC1
-11466	mol	CCCCC(O)=CC1CCOC1
-11467	mol	CCCCC(O)=CC1C=COC1
-11468	mol	CC(C)CC(O)(C)c1cocc1
-11469	mol	CCC(C)C(O)=Cc1cocc1
-11470	mol	CCCCC(O)(C)c1cocc1
-11471	mol	CCc(cc(O)cc1F)c1C
-11472	mol	CCc(cc(O)cc1N)c1CC
-11473	mol	CCc(cc(O)cc1O)c1C
-11474	mol	CCC(C)c(occ1O)c1C
-11475	mol	CCCCc(occ1O)c1C
-11476	mol	CCc(cc(O)cc1O)c1CC
-11477	mol	CCc(cc(O)cc1O)c1C=C
-11478	mol	CC(C)Cc(occ1O)c1C#C
-11479	mol	CCCCc(occ1O)c1C=O
-11480	mol	CCc(cc(O)cc1O)c1N
-11481	mol	CCc(cc(O)cc1O)c1O
-11482	mol	CCC(C)c(occ1O)c1O
-11483	mol	CCCCc(occ1O)c1O
-11484	mol	CC(C)(C)C(O)=Cc1occc1
-11485	mol	CC(C)CC(O)=C=CBr
-11486	mol	CCCCC(O)(C)C(Br)CCl
-11487	mol	CC(C)(C)C(=O)C=C=C
-11488	mol	CC(C)C=C(O)C(C)C
-11489	mol	CC(C)C(C=O)C=C=C
-11490	mol	CC(C)C(C=O)C#CC
-11491	mol	CC(C)CC(=O)C=C=C
-11492	mol	CC(C)CC(O)=CCC
-11493	mol	CC(C)CC(O)=CC=C
-11494	mol	CC(C)CC(O)=CC#C
-11495	mol	CC(C)CC(O)C(C)C
-11496	mol	CC(C)CC(OC=C)=C
-11497	mol	CC(C)CC(OC#C)=C
-11498	mol	CCC=C(C=O)C=C=C
-11499	mol	CCC(=C=CO)C=C=C
-11500	mol	CCC(C)(C=O)C=C=C
-11501	mol	CCC(C)(C)OC(C)C
-11502	mol	CCC(C)C(=O)C=CC
-11503	mol	CCC(C)C(=O)C(C)=C
-11504	mol	CCC(C)C(O)=CCC
-11505	mol	CCC(C)C(O)(C)CC
-11506	mol	CCC(C)C(O)(C)C=C
-11507	mol	CCC(C)C(O)C(C)C
-11508	mol	CCC(C)COC(C)C
-11509	mol	CCC(CC)OC(C)C
-11510	mol	CCC#CC(=O)C=C=C
-11511	mol	CCCC=C(O)CCC
-11512	mol	CCCC=C(O)C=CC
-11513	mol	CCCC=C(O)C(C)C
-11514	mol	CCCC(=CO)C=CC
-11515	mol	CCCC(C=O)=CC=C
-11516	mol	CCCC(C=O)C=C=C
-11517	mol	CCCC(C)OC(C)C
-11518	mol	CCCC(CO)C(C)C
-11519	mol	CCCC(CO)CC#C
-11520	mol	CCCCC(O)CCC
-11521	mol	CCCCC(O)=CCC
-11522	mol	CCCCC(O)=CC=C
-11523	mol	CCCCC(O)(C)CC
-11524	mol	CCCCC(O)(C)C=C
-11525	mol	CCCCC(O)C(C)C
-11526	mol	CCCCC(OC=C)=C
-11527	mol	CCCCCOC(C)C
-11528	mol	CC(C)c(c(O)ccc1C)c1C
-11529	mol	CCc(c(C=O)ccc1C)c1C=O
-11530	mol	CCC(C)C(=O)c(cc1)ccc1C
-11531	mol	CCCC(C=O)c(cc1)ccc1C
-11532	mol	CCCCC(=O)c(cc1)ccc1C
-11533	mol	CCCCC(=O)c(cc1)ccc1C=O
-11534	mol	CCCC(C)OC(C)c1ccccc1
-11535	mol	CCC(C)C(=O)c(cc1C)cc(C)c1C
-11536	mol	CCCCC(=O)c(cc1C)cc(C)c1C
-11537	mol	CC(C(C)C=O)CC(c1ccccc1)C(=O)C=O
-11538	mol	CCc(c(C=O)ccc1C=O)c1C
-11539	mol	CCc(c(C=O)ccc1C=O)c1O
-11540	mol	CC(C)c(c(O)ccc1F)c1C
-11541	mol	CCCc(c(O)ccc1F)c1C
-11542	mol	CC(C)c(c(O)ccc1O)c1C
-11543	mol	CCCc(c(O)ccc1O)c1C
-11544	mol	CC(C)c(c(O)ccc1O)c1O
-11545	mol	C=CC=C(C=O)C(=C)C=C
-11546	mol	CC(C)C=C(OC=C)C=C
-11547	mol	CC(C)C(=CO)C=CC=C
-11548	mol	CC(C)C#COC#CC=C
-11549	mol	CC(C)CC(=O)C=CC=C
-11550	mol	CC(C)CC(=O)C#CCC
-11551	mol	CC(C)CC(O)=C(C)C=C
-11552	mol	CC(C)CC(O)=CC=C=C
-11553	mol	CC(C)CC(O)=CC(C)C
-11554	mol	CC(C)CC(O)(CC)CC
-11555	mol	CC(C)CC(O)(CC)C=C
-11556	mol	CC(C)CC(O)C(C)C=C
-11557	mol	CC(C)CC(O)CCC=C
-11558	mol	CCC(C)C(=O)C=CC=C
-11559	mol	CCC(C)C(O)(C)C(C)C
-11560	mol	CCC(C)C(O)(C)CC=C
-11561	mol	CCC(C)C(O)(CC)CC
-11562	mol	CCC(C)C(O)C(C)CC
-11563	mol	CCC(C)C(O)CC(C)C
-11564	mol	CCC(C)C(OC#C)C#C
-11565	mol	CCC#CC(=O)C#CC#C
-11566	mol	CCCC=C(O)C(C)(C)C
-11567	mol	CCCC=C(O)CC(C)C
-11568	mol	CCCC(=COC=C)C=C
-11569	mol	CCCC(=COC=C)C#C
-11570	mol	CCCC(=COC#C)C=C
-11571	mol	CCCC(=COC#C)C#C
-11572	mol	CCCC(C=O)(C=C)C=C
-11573	mol	CCCC(C=O)C#CC#C
-11574	mol	CCCC(C)(OC#C)C#C
-11575	mol	CCCC(C)OC(C)CC
-11576	mol	CCCC(CO)(C#C)C=C
-11577	mol	CCCC(CO)(C#C)C#C
-11578	mol	CCCC#COC(C)C#C
-11579	mol	CCCC#COCC(C)C
-11580	mol	CCCCC(O)CCCC
-11581	mol	CCCCC(O)=CCCC
-11582	mol	CCCCC(O)=C=CC#C
-11583	mol	CCCCC(O)=C(C)C=C
-11584	mol	CCCCC(O)=CC=C=C
-11585	mol	CCCCC(O)(C)CCC
-11586	mol	CCCCC(O)(C)C(C)C
-11587	mol	CCCCC(O)(C#C)C#C
-11588	mol	CCCCC(O)(CC)CC
-11589	mol	CCCCC(O)(CC)C=C
-11590	mol	CCCCC(O)C(C)CC
-11591	mol	CCCCC(O)CC(C)C
-11592	mol	CCCCC(O)CCC=C
-11593	mol	CCCCC(OC)CCC
-11594	mol	CCCCC(OCC)C=C
-11595	mol	CCCCCOC(C)CC
-11596	mol	CCCCCOC(C)(C)C
-11597	mol	CCC(C)(C=O)c(ccc1)cc1C
-11598	mol	CCCC(C=O)c(ccc1)cc1C
-11599	mol	CCCCC(=O)c(ccc1)cc1C
-11600	mol	CCCCC(=O)c(ccc1)cc1C=O
-11601	mol	CCCCC(=O)c(ccc1C)cc1C=O
-11602	mol	CC(C)C(C=O)C(C)=CCC
-11603	mol	CC(C)CC(O)=C(C=C)C=C
-11604	mol	CC(C)CC(O)=C(C#C)C=C
-11605	mol	CC(C)CC(O)=C(C#C)C#C
-11606	mol	CC(C)CC(O)=CC=CC=C
-11607	mol	CC(C)CC(O)(C(C)C)C=C
-11608	mol	CC(C)CC(O)(C)CC(C)C
-11609	mol	CC(C)CC(O)(CC)C(C)C
-11610	mol	CC(C)CC(O)C(CC)C=C
-11611	mol	CC(C)CC(OC=C)=CC=C
-11612	mol	CC(C)CC(OC=C)=CC#C
-11613	mol	CCC(C)C(O)=C(C=C)C=C
-11614	mol	CCC(C)C(O)(C)C(C)CC
-11615	mol	CCC(C)C(O)C(C)(C)C=C
-11616	mol	CCC(C)C(O)C(CC)CC
-11617	mol	CCC(C)C(OC=C)=CC=C
-11618	mol	CCC(C)C(OC#C)=CC=C
-11619	mol	CCC(CC(O)C)CC(C)C
-11620	mol	CCCC(=C(O)C(C)C)C=C
-11621	mol	CCCC(=CO)C=CC(C)C
-11622	mol	CCCC(C=O)=CC(=C)C=C
-11623	mol	CCCC(CO)CC(C)CC
-11624	mol	CCCC#COC#CC(C)C
-11625	mol	CCCCC(O)=C(C=C)C=C
-11626	mol	CCCCC(O)=C(CC)CC
-11627	mol	CCCCC(O)=C(CC)C=C
-11628	mol	CCCCC(O)=CCC(C)C
-11629	mol	CCCCC(O)(C)CCCC
-11630	mol	CCCCC(O)(C)C(C)CC
-11631	mol	CCCCC(O)(CC)CCC
-11632	mol	CCCCC(O)C(C)CCC
-11633	mol	CCCCC(O)CCC(C)C
-11634	mol	CCCCC(OC=C)=CC=C
-11635	mol	CCCCC(OC(C)CC)=C
-11636	mol	CCCCC(OC)C(C)CC
-11637	mol	CCCCC(OCC)CCC
-11638	mol	CC(C)CC(O)=C(C(C)C)C=C
-11639	mol	CC(C)CC(O)=C(C(C)C)C#C
-11640	mol	CC(C)CC(O)=C(C)CC(C)C
-11641	mol	CC(C)CC(O)=C(CCC)C=C
-11642	mol	CC(C)CC(O)(CC)CC(C)C
-11643	mol	CC(C)CC(O)C(C)(C#C)C=C
-11644	mol	CC(C)CC(OC=C)=C(C)C=C
-11645	mol	CCC(C)C(O)=C(C=C)C=CC
-11646	mol	CCCC=C(O)C=CCC(C)C
-11647	mol	CCCC=COC(CC)=CC#C
-11648	mol	CCCC(=C(O)C=C)C=CC=C
-11649	mol	CCCC(C=O)C#CC#CC=C
-11650	mol	CCCC(C(O)(C)C=C)C=CC
-11651	mol	CCCC(CO)CCC(C)CC
-11652	mol	CCCCC(=O)C=CC(C)CC
-11653	mol	CCCCC(O)(C=C=C)C=C=C
-11654	mol	CCCCC(O)(C(C)C)C(C)C
-11655	mol	CCCCC(O)(CC)CCCC
-11656	mol	CCCCC(O)(CCC)CCC
-11657	mol	CCCCC(O)(CCC)C(C)C
-11658	mol	CCCCC(O)C(C)CCCC
-11659	mol	CCCCC(O)C(C)C(C)CC
-11660	mol	CCCCC(O)CC(C)C(C)C
-11661	mol	CCCCC(O)CC(CC)C=C
-11662	mol	CCCCC(OC=C)=CC(C)C
-11663	mol	CCCCCOC(C)(CC)CC
-11664	mol	CCCCCOC(CC)CCC
-11665	mol	CCCCCOCCCCCCC
-11666	mol	CCCCC(O)(CCC)CC(C)C
-11667	mol	CCCCC(O)CCC(C)CCC
-11668	mol	CCCCCOC(CCC)CCCC
-11669	mol	CC(C)C(C)OC(CC)(CC)C=O
-11670	mol	CC(C)CCOC(CC)(CC)C=O
-11671	mol	CCCCCOC(CCCCC)=O
-11672	mol	CCC(C)C(=O)C(C(C)CC)=O
-11673	mol	CCC(C)C(O)C(CC)CC=O
-11674	mol	CCC(C)COC(C)(CC)C=O
-11675	mol	CCC(CC)OC(C(C)CC)=O
-11676	mol	CCCC(C=O)C(C(C)CC)=O
-11677	mol	CCCC(C(O)C)C(CC)C=O
-11678	mol	CCCC(C(OC)(CC)CC)=O
-11679	mol	CCCC(C)(OC(C)C)CC=O
-11680	mol	CCCC(C)OC(C(C)CC)=O
-11681	mol	CCCC(CO)(C(C)CC)C=O
-11682	mol	CCCC(CO)C(C(C)C)C=O
-11683	mol	CCCC(CO)CC(CCC)=O
-11684	mol	CCCCC(=O)C(CCCC)=O
-11685	mol	CCCCC(O)=C(CCC)C=O
-11686	mol	CCCCC(O)(C(C)CC)C=O
-11687	mol	CCCCC(O)(C)CC(C)C=O
-11688	mol	CCCCC(O)(CC)C(CC)=O
-11689	mol	CCCCC(O)(CCCC)C=O
-11690	mol	CCCCC(O)C(C)(C)C(C)=O
-11691	mol	CCCCC(O)C(C)CCC=O
-11692	mol	CCCCC(O)C(CCCC)=O
-11693	mol	CCCCC(OC(C)CC)C=O
-11694	mol	CCCCC(OCCC(C)C)=O
-11695	mol	CCCCCOC(C(C)CC)=O
-11696	mol	CC(C)CC(OC(C)C=C)=O
-11697	mol	CC(C)CC(OC)(CC)C=O
-11698	mol	CCC(C)C(O)(C(C)C)C=O
-11699	mol	CCC(C)C(O)(CC)C(C)=O
-11700	mol	CCCC(C=O)C(C(C)C)=O
-11701	mol	CCCC(C=O)C(CCC)=O
-11702	mol	CCCC(C(O)(C)CC)C=O
-11703	mol	CCCC(C)OC(C)CC=O
-11704	mol	CCCCC(=O)C(C(C)C)=O
-11705	mol	CCCCC(=O)C(CCC)=O
-11706	mol	CCCCC(O)=C(C#C)C=O
-11707	mol	CCCCC(O)(C(C)C)C=O
-11708	mol	CCCCC(O)(C)C(CC)=O
-11709	mol	CCCCC(O)(CC=C)C=O
-11710	mol	CCCCC(O)(CC)CC=O
-11711	mol	CCCCC(O)(CCC)C=O
-11712	mol	CCCCC(O)C(CCC)=O
-11713	mol	CCCCC(OC(C)CC)=O
-11714	mol	CCCCC(OC)(CC)C=O
-11715	mol	CCCCC(OC#CCC)=O
-11716	mol	CCCCC(OCC(C)C)=O
-11717	mol	CCC(C)COC(C)C(C)OC
-11718	mol	CC(C)CC(O)=C(CC)C(O)=O
-11719	mol	CC(C)CC(OC(C(C)C)=O)=O
-11720	mol	CC(CC#COC#C)CC(O)=O
-11721	mol	CCC(C)C(O)C(CC)C(O)=O
-11722	mol	CCCC(C)(OC(C)C)C(O)=O
-11723	mol	CCCCC(O)(C(C)C)C(O)=O
-11724	mol	CCCCC(O)(CCC)C(O)=O
-11725	mol	CCCCC(O)C(CC)C(O)=O
-11726	mol	CCCCC(O)CCCC(O)=O
-11727	mol	CCCCC(O)C(C)CN
-11728	mol	CCCCC(OC)CC(N)C
-11729	mol	CC(C)C(C=O)C(CC)=O
-11730	mol	CC(C)CC(O)=C(C)C=O
-11731	mol	CC(C)CC(O)(C)C(C)=O
-11732	mol	CC(C)CC(O)(C)CC=O
-11733	mol	CC(C)CC(O)(CC)C=O
-11734	mol	CC(C)CC(O)C(CC)=O
-11735	mol	CCC(C)=C(O)C(C)C=O
-11736	mol	CCC(C)C(=O)C(CC)=O
-11737	mol	CCC(C)C(O)(CC)C=O
-11738	mol	CCC(CC=O)C(C)C=O
-11739	mol	CCCC(=C(O)CC)C=O
-11740	mol	CCCC(C=O)C(CC)=O
-11741	mol	CCCC(C(O)CC)C=O
-11742	mol	CCCC(CO)CCC=O
-11743	mol	CCCC#COC(CC)=O
-11744	mol	CCCCC(=O)C(CC)=O
-11745	mol	CCCCC(O)(C)C(C)=O
-11746	mol	CCCCC(O)(CC)C=O
-11747	mol	CCCCC(O)C(C)C=O
-11748	mol	CCCCC(O)C(CC)=O
-11749	mol	CCCCC(OC(C)C)=O
-11750	mol	CCCCC(OCC)C=O
-11751	mol	CCCCCOC(CC)=O
-11752	mol	CCCCC(OC(CC)=O)=C
-11753	mol	CC(C(C)C=O)CC(C=O)c1ccccc1
-11754	mol	CCCCC(O)(C)C(C)OCC
-11755	mol	CC(C)C(C(O)C(CC)=O)C=O
-11756	mol	CCCCC(O)(C)CCOC=O
-11757	mol	CCCCC(O)(CCC)OC=O
-11758	mol	CCCCC(O)C(C)COC=O
-11759	mol	CCCCC(OCC)(C=O)C=O
-11760	mol	CC(C)CC(O)CCC(=O)N
-11761	mol	CCCCC(=O)C=CC(=O)N
-11762	mol	CC(C)CC(O)=C(C)C(O)=O
-11763	mol	CC(C)CC(O)(C=C)C(O)=O
-11764	mol	CC(C)CC(O)C(C)C(O)=O
-11765	mol	CCC(C)C(=O)C=CC(O)=O
-11766	mol	CCC(C)C(O)(C)CC(O)O
-11767	mol	CCCC(C=O)(C=C)C(O)=O
-11768	mol	CCCC(C(O)C)CC(O)=O
-11769	mol	CCCC(CO)(C=C)C(O)=O
-11770	mol	CCCC(CO)CCC(O)=O
-11771	mol	CCCCC(=O)C(C)=C(O)O
-11772	mol	CCCCC(O)(C)CC(O)=O
-11773	mol	CCCCC(O)C(C)C(O)=O
-11774	mol	CC(C)CC(OCCC(O)=O)=O
-11775	mol	CC(C)CC(O)=C=CF
-11776	mol	CC(C)CC(O)=C=C(F)O
-11777	mol	CCCCC(O)=CCl
-11778	mol	CCC(C)C(=O)C=CN
-11779	mol	CCCCC(=O)C=CN
-11780	mol	CCCCC(O)C(CN)CN
-11781	mol	CCCCC(O)C(CN)COC=O
-11782	mol	CCCCC(O)CCNC(O)=O
-11783	mol	C=C=CC(C=O)=C=CN(=O)=O
-11784	mol	C=C=CC(C=O)=CC=O
-11785	mol	C#CCCC(OC#C)=O
-11786	mol	CC(C)(C)C(=O)C#CO
-11787	mol	CC(C)(C)C(OC#C)=O
-11788	mol	CC(C)CC(O)=CC=O
-11789	mol	CC(C)CC(OC=C)=O
-11790	mol	CC(C)CC(OC#C)=O
-11791	mol	CC(C#C)C(OC#C)=O
-11792	mol	CC(CCC=O)CC=O
-11793	mol	CCC=CC(OC#C)=O
-11794	mol	CCC(C)C(=O)C=CO
-11795	mol	CCC(C)C(=O)C(C)=O
-11796	mol	CCC(C)C(O)(C)C=O
-11797	mol	CCC(C)C(O)C(C)=O
-11798	mol	CCC(C)C(O)CC=O
-11799	mol	CCC(C)C(OC=C)=O
-11800	mol	CCC(C)C(OC#C)=O
-11801	mol	CCC(C)COC(C)=O
-11802	mol	CCC(CC=O)C(C)=O
-11803	mol	CCC(CC=O)CC=O
-11804	mol	CCC#CC(OC#C)=O
-11805	mol	CCCC(C=O)=CC=O
-11806	mol	CCCC(C(O)C)C=O
-11807	mol	CCCC#COC(C)=O
-11808	mol	CCCCC(=O)C(C)=O
-11809	mol	CCCCC(O)CCO
-11810	mol	CCCCC(O)=CC=O
-11811	mol	CCCCC(O)(C)CO
-11812	mol	CCCCC(O)(C)C=O
-11813	mol	CCCCC(O)CC=O
-11814	mol	CCCCC(OC=C)=O
-11815	mol	CCCCC(OC)CO
-11816	mol	CCCCC(OC)C=O
-11817	mol	CCCCC(OC#C)=O
-11818	mol	CCCCC(OCC)=O
-11819	mol	CCCCCOC(C)=O
-11820	mol	CC(C)CC(O)=C=C(O)C
-11821	mol	CC(C)CC(O)=CC(O)=C
-11822	mol	CC(C(C)C=O)C(C=O)Cc1ccccc1
-11823	mol	CCC(C)C(O)(C)C(O)C(C)C
-11824	mol	CCCC(CO)CCOC(C)C
-11825	mol	CCCCC(O)CC(O)C(C)C
-11826	mol	CCCCC(O)CCOC(C)C
-11827	mol	CCCCC(=O)C(C(O)CC)=O
-11828	mol	CCCCC(OC)(C(O)C)C=O
-11829	mol	CC(C)CC(O)(C)COC=O
-11830	mol	CC(C)CC(O)(CC)OC=O
-11831	mol	CCC(C(C(O)C)C=O)C=O
-11832	mol	CCC(C)C(O)(CC=O)C=O
-11833	mol	CCCC(C)(OC#C)OC=O
-11834	mol	CCCCC(=O)CC(=O)C=O
-11835	mol	CCCCC(O)(CC=O)C=O
-11836	mol	CCCCC(O)C(C)OC=O
-11837	mol	CCCCC(OC)(CO)C=O
-11838	mol	CC(C(C)C(OC=C)=O)C(O)=O
-11839	mol	CC(C(C)C(OC#C)=O)C(O)=O
-11840	mol	CC(C)CC(O)C(CO)C(O)=O
-11841	mol	CC(C)CC(OC#COC=O)=O
-11842	mol	CCC(C)C(O)C(C=O)C(O)=O
-11843	mol	CCC(C)C(OC#COC=O)=O
-11844	mol	CC(C(C)C=O)CC(O)=O
-11845	mol	CC(C)CC(O)(C)C(O)=O
-11846	mol	CC(C)CC(O)CC(O)=O
-11847	mol	CCC(C)C(O)(C)C(O)=O
-11848	mol	CCC(C)C(O)CC(O)=O
-11849	mol	CCC(C)C(OC(C)=O)=O
-11850	mol	CCC(C)C(OC)C(O)=O
-11851	mol	CCC(CC=O)CC(O)=O
-11852	mol	CCCC(=C(O)C)C(O)=O
-11853	mol	CCCC(C=O)=CC(O)=O
-11854	mol	CCCC(C)(OC)C(O)=O
-11855	mol	CCCCC(O)(C)C(O)=O
-11856	mol	CCCC(C=O)C(C(O)=O)c1ccccc1
-11857	mol	CCC(C)C(O)(C)C(O)(O)CC
-11858	mol	CCCCC(O)(CC(O)=O)C=O
-11859	mol	CC(C)(CC=O)C#N
-11860	mol	CC(C)CC(=O)C#N
-11861	mol	CCCC(CO)CN
-11862	mol	CCCCC(O)C(N)C
-11863	mol	CCCCC(O)(C(N)CC)C(N)C=O
-11864	mol	CCCCC(O)(C)NC=O
-11865	mol	CC(C)CC(OC#N)=O
-11866	mol	C=CC=C(C=O)C=O
-11867	mol	C#CC#CC(=O)C=O
-11868	mol	C#CCC#COC=O
-11869	mol	CC(C(C)C=O)C=O
-11870	mol	CC(C)(C)C(=O)C=O
-11871	mol	CC(C)(CC=O)C=O
-11872	mol	CC(C)C=C(O)C=O
-11873	mol	CC(C)C=COC=O
-11874	mol	CC(C)C(C=O)C=O
-11875	mol	CC(C)C(C)OC=O
-11876	mol	CC(C)C#COC=O
-11877	mol	CC(C)CC(=O)C=O
-11878	mol	CC(C)CC(O)=CO
-11879	mol	CC(C)CC(O)C=O
-11880	mol	CC(C)CC(OC)=O
-11881	mol	CC(C)CCOC=O
-11882	mol	CC(C#C)C(=O)C=O
-11883	mol	CC(CCC=O)C=O
-11884	mol	CCC=C(C)OC=O
-11885	mol	CCC(C)=C(O)C=O
-11886	mol	CCC(C)(C=O)C=O
-11887	mol	CCC(C)(C)OC=O
-11888	mol	CCC(C)C(=O)C=O
-11889	mol	CCC(C)C(O)=CO
-11890	mol	CCC(C)C(O)C=O
-11891	mol	CCC(C)C(OC)=O
-11892	mol	CCC(C)COC=O
-11893	mol	CCC(CC=O)C=O
-11894	mol	CCC(CC)OC=O
-11895	mol	CCC#CC(OC)=O
-11896	mol	CCCC=C(O)C=O
-11897	mol	CCCC=COC=O
-11898	mol	CCCC(C=O)C=O
-11899	mol	CCCC(C(O)C)=O
-11900	mol	CCCC(C)OC=O
-11901	mol	CCCC(CO)C=O
-11902	mol	CCCC#COC=O
-11903	mol	CCCCC(=O)C=O
-11904	mol	CCCCC(O)CO
-11905	mol	CCCCC(O)=CO
-11906	mol	CCCCC(O)C=O
-11907	mol	CCCCC(OC)=O
-11908	mol	CCCCCOC=O
-11909	mol	CC(C)CC(O)=C(O)C
-11910	mol	CC(C)CC(OC=O)=C
-11911	mol	CCC(C)C(O)C(O)C
-11912	mol	CCC(C)C(OC=O)=C
-11913	mol	CCCC(CO)C(O)C
-11914	mol	CCCCC(=O)C(O)=C
-11915	mol	CCCCC(O)COC
-11916	mol	CCCCC(O)=C(O)C
-11917	mol	CCCCC(O)C(O)C
-11918	mol	CCCCC(OC=O)=C
-11919	mol	C#CC(CCOC=O)C#C
-11920	mol	CC(C)C(C)(OC=O)C=C
-11921	mol	CC(C)C#COC(=O)C=C
-11922	mol	CC(C)CC(O)=C(O)CC
-11923	mol	CC(C)CC(O)=C(O)C=C
-11924	mol	CC(C)CC(O)=C(O)C#C
-11925	mol	CC(C)CC(O)(CO)C=C
-11926	mol	CC(C)CC(OC=O)C#C
-11927	mol	CC#CC#COC(=O)C=C
-11928	mol	CCC=CC(O)=C(O)C=C
-11929	mol	CCC(C)C(=O)C(=O)C#C
-11930	mol	CCC(C)C(O)=C(O)C=C
-11931	mol	CCC(C)C(OC=O)=C=C
-11932	mol	CCCC(C=O)=C(O)C#C
-11933	mol	CCCC(C=O)(C=O)C=C
-11934	mol	CCCC#COC(=O)C=C
-11935	mol	CCCC#COC(=O)C#C
-11936	mol	CCCCC(O)=C(O)CC
-11937	mol	CCCCC(O)=C(O)C=C
-11938	mol	CCCCC(O)(C=O)C=C
-11939	mol	CCCCC(O)(C)OCC
-11940	mol	CCCCC(O)(CO)CC
-11941	mol	C=CC=C=COC(=O)C=C=C
-11942	mol	CC(C)CC(=O)C(O)=CC=C
-11943	mol	CC(C)CC(O)C(O)(C)C=C
-11944	mol	CC(C)CC(OC=O)=CC=C
-11945	mol	CC(CC#C)(OC=O)CC=C
-11946	mol	CCC(C)C(O)C(O)(C)CC
-11947	mol	CCC(C)C(O)C(O)(C)C=C
-11948	mol	CCC(C)C(OC=O)=CCC
-11949	mol	CCCCC(O)(C)OC(C)C
-11950	mol	CC(C)C(COC=O)CCC=C
-11951	mol	CC(C)CC(OC=O)(C#C)C#C
-11952	mol	CC(C)CC(OC=O)C(C)C=C
-11953	mol	CCC(C)C(=O)C(=O)C#CC=C
-11954	mol	CCC(C)C(O)=C(O)CC(C)C
-11955	mol	CCCC(C(O)C)OC(C)CC
-11956	mol	CCCC(C)OC(O)CC(C)C
-11957	mol	CCCC(CO)COC(C)CC
-11958	mol	CCCCC(O)=C(O)CCCC
-11959	mol	CCCCC(O)=C(O)CC(C)C
-11960	mol	CCCCCOC(O)(CC)CC
-11961	mol	CCCCCOC(O)CC(C)C
-11962	mol	CCCCC(O)C(OCC)CC=O
-11963	mol	CCCCC(=O)C(OC(C)C)=O
-11964	mol	CCCCC(OC(O)(C)CC)=O
-11965	mol	CCC(C)COC(O)(C)CO
-11966	mol	CCC(CC)(OC=O)CC=O
-11967	mol	CCCC(C)(OC=O)CC=O
-11968	mol	CCCCC(O)(CO)CC=O
-11969	mol	CC(C)CC(OC=O)=CC(O)=O
-11970	mol	CC(CC#C)(OC=O)CC(O)=O
-11971	mol	CCC(C(CO)C=O)CC(O)=O
-11972	mol	CCC(CC)(OC=O)CC(O)=O
-11973	mol	CCCCC(OC=O)CC(O)=O
-11974	mol	CCCCC(OC=O)C(N)C=O
-11975	mol	CC(C(CC=O)C=O)C=O
-11976	mol	CC(C)(C)C(O)=C(O)C=O
-11977	mol	CC(C)C(C(O)C=O)C=O
-11978	mol	CC(C)C(C)(OC=O)C=O
-11979	mol	CC(C)C#COC(=O)C=O
-11980	mol	CC(C)CC(O)=COC=O
-11981	mol	CC(C)CC(OC=O)=CO
-11982	mol	CC(CC(C=O)C=O)C=O
-11983	mol	CCC(C(C=O)C=O)C=O
-11984	mol	CCC(C)(C(O)C=O)C=O
-11985	mol	CCC(C)C(=O)C(OC)=O
-11986	mol	CCC(C)C(O)=C(O)C=O
-11987	mol	CCC(C)C(OC=O)C=O
-11988	mol	CCC(CC)(OC=O)C=O
-11989	mol	CCCC(C=O)(C=O)C=O
-11990	mol	CCCC(C=O)C(=O)C=O
-11991	mol	CCCC(C(O)C=O)C=O
-11992	mol	CCCC#COC(=O)C=O
-11993	mol	CCCCC(O)=COC=O
-11994	mol	CCCCC(O)(C=O)C=O
-11995	mol	CCCCC(O)(CO)C=O
-11996	mol	CCCCC(O)C(=O)C=O
-11997	mol	CCCCC(O)C(O)C=O
-11998	mol	CCCCC(OC=O)C=O
-11999	mol	CC(C)CC(=O)C(OC=O)=C
-12000	mol	CC(C)C(C(=O)C=O)C(=O)C=O
-12001	mol	CCCC(C=O)(C=O)C(=O)C=O
-12002	mol	CCCC#COC(=O)C(=O)C=O
-12003	mol	CCCCC(OC=O)=COC=O
-12004	mol	C=CCCCOC(OC=O)=O
-12005	mol	CC(C)C(C=O)(C=O)C(O)=O
-12006	mol	CC(C)C(C=O)C(=O)C(O)=O
-12007	mol	CC(C)C#COC(=O)C(O)=O
-12008	mol	CC(C)CC(=O)C(OC=O)=O
-12009	mol	CC(C)CC(O)(C=O)C(O)=O
-12010	mol	CC(C)CC(OC=O)C(O)=O
-12011	mol	CC#CC#COC(=O)C(O)=O
-12012	mol	CCC(C)(C=O)C(=O)C(O)=O
-12013	mol	CCC(CC)(OC=O)C(O)=O
-12014	mol	CCCC(C=O)(C=O)C(O)=O
-12015	mol	CCCC(CO)(C=O)C(O)=O
-12016	mol	CCCC#COC(=O)C(O)=O
-12017	mol	CCCC#COC(OC=O)=O
-12018	mol	CCCCC(=O)C(=O)C(O)=O
-12019	mol	CC(C)CC(OC(OC=O)=O)=C
-12020	mol	CC(C)(C)C(OC(OC=O)=O)=O
-12021	mol	CC(C)CC(OC(OC=O)=O)=O
-12022	mol	CC(C)C=C(OC=O)N
-12023	mol	CC(C)C(C=O)C(=O)N
-12024	mol	CCC=CC(O)=C(O)N
-12025	mol	CCCC(CO)C(O)N
-12026	mol	CCCCCOC(=O)N
-12027	mol	CCC(CC=O)C(=O)NC=O
-12028	mol	CCCC(C=O)C(ON)=O
-12029	mol	CCCCC(O)C(ON)=O
-12030	mol	CC(C=C=C)OC(=O)N(=O)=O
-12031	mol	C#CCCC(=O)C(O)=O
-12032	mol	CC(C=C)C(=O)C(O)=O
-12033	mol	CC(C)(C)C(OC=O)=O
-12034	mol	CC(C)(CC=O)C(O)=O
-12035	mol	CC(C)C(C=O)C(O)=O
-12036	mol	CC(C)C#COC(O)=O
-12037	mol	CC(C)CC(=O)C(O)=O
-12038	mol	CC(C)CC(O)C(O)=O
-12039	mol	CC(C)CC(OC=O)=O
-12040	mol	CC(C)CCOC(O)=O
-12041	mol	CC(C#C)C(OC=O)=O
-12042	mol	CC(CCC=O)C(O)=O
-12043	mol	CCC=CC(=O)C(O)=O
-12044	mol	CCC(C(C=O)C=O)=O
-12045	mol	CCC(C)=C(O)C(O)=O
-12046	mol	CCC(C)(C=O)C(O)=O
-12047	mol	CCC(C)C(=O)C(O)=O
-12048	mol	CCC(C)C(O)C(O)=O
-12049	mol	CCC(C)C(OC=O)=O
-12050	mol	CCC(C)COC(O)=O
-12051	mol	CCC(CC=O)C(O)=O
-12052	mol	CCC#CC(=O)C(O)=O
-12053	mol	CCCC(=CO)C(O)=O
-12054	mol	CCCC(C=O)C(O)=O
-12055	mol	CCCC(C(O)C=O)=O
-12056	mol	CCCC(C)OC(O)=O
-12057	mol	CCCC(COC=O)=O
-12058	mol	CCCC#COC(O)=O
-12059	mol	CCCCC(=O)C(O)=O
-12060	mol	CCCCC(O)C(O)=O
-12061	mol	CCCCC(OC=O)=O
-12062	mol	CCCCCOC(O)=O
-12063	mol	CCCCC(O)C(O)(O)C
-12064	mol	CC(C)C(C=O)(C(O)=O)C(C)=O
-12065	mol	CCC(CC)(OC(O)=O)C=O
-12066	mol	CCCC=C(OC=O)OC=O
-12067	mol	CCCC(C)(OC=O)OC=O
-12068	mol	CCC(C)C(O)(C(O)=O)C(O)=O
-12069	mol	CCCCC(O)(C(O)=O)C(O)=O
-12070	mol	CC(C)CC(OC(O)=O)=O
-12071	mol	CCC(C)C(OC(O)=O)=O
-12072	mol	CCCCC(OC(O)=O)=O
-12073	mol	CC(C(C)C(OC(O)=O)=O)C=C
-12074	mol	CC(C)CC(O)(C)[SiH3]
-12075	mol	CCCC=COF
-12076	mol	CCC(C)C(OF)=O
-12077	mol	CCCCC(OF)=O
-12078	mol	CC(C)CC(=O)N
-12079	mol	CCC(C)C(=O)N
-12080	mol	CCC(C)C(O)N
-12081	mol	CCCC(C)ON
-12082	mol	CCCCC(=O)N
-12083	mol	CCCCC(O)N
-12084	mol	CCC(C)C(=O)NC
-12085	mol	CCCCC(=O)Nc1ccccc1
-12086	mol	CCCCC(ONc1ccccc1)=O
-12087	mol	CCC(C)C(=O)NCC
-12088	mol	CCCCC(=O)NCC
-12089	mol	CCCCC(O)(N)CC
-12090	mol	CCCCC(ON)CC
-12091	mol	CCC(C)C(=O)N(C)CC
-12092	mol	CCCCC(=O)NCCC
-12093	mol	CCCCC(=O)NC(C)C
-12094	mol	CCCCC(=O)N(CC)CC
-12095	mol	CCCCC(=O)NC(C)CC
-12096	mol	CCCCC(=O)NCC(C)C
-12097	mol	CCCCC(O)(N)C(CC)C(CC)CC
-12098	mol	CCCCC(=O)N(CCC)N
-12099	mol	CCC(C)C(=O)N(CC)C(O)=O
-12100	mol	CCCCC(=O)N(CC)C(O)=O
-12101	mol	CCCCC(=O)N(CC)N
-12102	mol	CCC(C)C(=O)N(C=C)NC=O
-12103	mol	CCCCC(=O)N(CC)OC=O
-12104	mol	CCC(C)C(=O)N(C)NC=O
-12105	mol	CC(C)C(C=O)NC=O
-12106	mol	CCC(C)(C=O)NC=O
-12107	mol	CCC(C)C(=O)NC=O
-12108	mol	CCCCC(ON)C=O
-12109	mol	CCC(C)C(=O)NC(O)C
-12110	mol	CCCC=C(ONC=O)C=C
-12111	mol	CCC(C)C(=O)NC(O)(C)NN
-12112	mol	CCC(C)C(=O)NC(O)=O
-12113	mol	CCCCC(=O)NF
-12114	mol	CC(C)CC(=O)NN
-12115	mol	CC(C)CC(O)(N)N
-12116	mol	CCC(C)C(=O)NN
-12117	mol	CCCC(C=O)NN
-12118	mol	CCCCC(O)(N)N
-12119	mol	CCCC(C(O)N)NC=O
-12120	mol	CCCCC(=O)N(N)C(O)=O
-12121	mol	CCCCC(ONN)=O
-12122	mol	CC(C)CC(ON)=O
-12123	mol	CCC(C)C(ON)=O
-12124	mol	CCCCC(ON)=O
-12125	mol	CCCCC(=O)NOC=O
-12126	mol	CC(C)C(C=O)N(=O)=O
-12127	mol	CCCC=C(O)N(=O)=O
-12128	mol	CC=C=CC(O)=O
-12129	mol	CC=CC=C(O)O
-12130	mol	CC(C=C)C(O)=O
-12131	mol	CC(C)=CC(O)=O
-12132	mol	CC(C)(C)C(O)=O
-12133	mol	CC(C)C=C(O)O
-12134	mol	CC(C)CC(O)=O
-12135	mol	CC(C#C)C(O)=O
-12136	mol	CCC=CC(O)=O
-12137	mol	CCC(=C)C(O)=O
-12138	mol	CCC(C)=C(O)O
-12139	mol	CCC(C)C(O)O
-12140	mol	CCC(C)C(O)=O
-12141	mol	CCC(CC=O)=O
-12142	mol	CCC#CC(O)=O
-12143	mol	CCCC=C(O)O
-12144	mol	CCCC(C)OO
-12145	mol	CCCC(CO)=O
-12146	mol	CCCCC(O)O
-12147	mol	CCCCC(O)=O
-12148	mol	CC(C)CC(O)(O)C
-12149	mol	CCC(C)C(O)(O)C
-12150	mol	CCCCC(O)(O)C
-12151	mol	CCc(c(C=O)oc1C)c1C=C
-12152	mol	CC(C)(CC(O)=O)c1ccccc1
-12153	mol	CCC(C)(C(O)=O)c1ccccc1
-12154	mol	CCC(C)C(=O)Oc1ccccc1
-12155	mol	CCCC(C(O)=O)c1ccccc1
-12156	mol	CC(C)(CC(O)=O)C1=CCCO1
-12157	mol	CC(CCC(O)=O)C1CC=CO1
-12158	mol	CC(C)(CC(O)=O)C1C=COC1
-12159	mol	CCCCC(O)(O)C1CCOC1
-12160	mol	CC(C)CC(=O)Oc1cocc1
-12161	mol	CC(CCC(O)=O)c1cocc1
-12162	mol	CCC(C)(C(O)=O)c1cocc1
-12163	mol	CCC(C)C(=O)Oc1cocc1
-12164	mol	CCC(CC(O)=O)c1cocc1
-12165	mol	CCCC(C(O)=O)c1cocc1
-12166	mol	CCCCC(=O)Oc1cocc1
-12167	mol	CCC(C)C(O)(O)C1=COCC1
-12168	mol	CC(C)C(C(O)=O)c1occc1
-12169	mol	CC(C)CC(=O)Oc1occc1
-12170	mol	CC(C(C)C(O)=O)C=C
-12171	mol	CC(C)(CC(O)=O)C=C
-12172	mol	CC(C)(CC(O)=O)C#C
-12173	mol	CC(C)CC(O)(O)C=C
-12174	mol	CC(C)CC(O)OC#C
-12175	mol	CC(CCC(O)=O)C=C
-12176	mol	CCC(C)C(O)(O)CC
-12177	mol	CCC(C)C(O)(O)C=C
-12178	mol	CCC(CC(O)=O)C#C
-12179	mol	CCCC(CO)OC#C
-12180	mol	CCCCC(O)OCC
-12181	mol	CCCCC(O)(O)CC
-12182	mol	CCCCC(O)(O)C=C
-12183	mol	CC(C)CC(O)(O)C(C)C
-12184	mol	CCCCC(O)(O)CCC
-12185	mol	CC(C)(C)C(=O)OC#CC=C
-12186	mol	CCC(C)C(=O)OC#CC#C
-12187	mol	CCC(C)C(O)(O)C(C)CC
-12188	mol	CCC(C)C(O)(O)CC(C)C
-12189	mol	CCCC(C(O)=O)=C(C)C#C
-12190	mol	CCCC(C(O)O)C(C)CC
-12191	mol	CCCCC(=O)OC#CC#C
-12192	mol	CCCCC(O)(O)CCCC
-12193	mol	CCCCC(O)(OCC)C=C
-12194	mol	CCCCC(O)OC(C)CC
-12195	mol	CC(C)CC(O)(O)C(CC)C=C
-12196	mol	CCC(C)C(O)(O)C(C)C(C)C
-12197	mol	CCCC(C(O)=O)C(CCC)=O
-12198	mol	CCCCC(O)(OCC)C=CO
-12199	mol	CC(CCC(O)=O)C(C)C=O
-12200	mol	CC(C)CC(OOC#C)=O
-12201	mol	CCC(C)C(O)(O)CC=O
-12202	mol	CC(C)(CC(O)=O)C#COC=O
-12203	mol	CC(C(C)C(O)=O)C=O
-12204	mol	CC(CCC=O)OC=O
-12205	mol	CC(CCC(O)=O)C=O
-12206	mol	CCC(C)C(O)(O)C=O
-12207	mol	CCC(CC(O)=O)C=O
-12208	mol	CCCC=C(O)OC=O
-12209	mol	CCCC(C(O)O)C=O
-12210	mol	CCCC(CO)OC=O
-12211	mol	CCCCC(O)(O)C=O
-12212	mol	CCCC(C(O)=O)C(=O)C=C
-12213	mol	CCCCC(O)(OC=O)C=C
-12214	mol	CCCCC(O)(OC=O)C(C)=C
-12215	mol	CCCC(C(O)=O)C(=O)C=O
-12216	mol	CCCCC(O)(O)C(O)C=O
-12217	mol	CCCCC(O)(OC=O)C=O
-12218	mol	CCCC(C(O)=O)=C(O)C(O)=O
-12219	mol	CCCC(CO)(OC=O)C(O)=O
-12220	mol	CC(C(C)C(O)=O)C(O)=O
-12221	mol	CC(C)C(C(O)=O)C(O)=O
-12222	mol	CCC=C(C(O)=O)C(O)=O
-12223	mol	CCC(C)C(OOC=O)=O
-12224	mol	CCC(CC=O)OC(O)=O
-12225	mol	CCC(CC(O)=O)C(O)=O
-12226	mol	CCCC(C(O)=O)C(O)=O
-12227	mol	CCCCC(O)(O)C(O)=O
-12228	mol	CCCC(C(O)=O)N(CC)N
-12229	mol	CC(C)C(C(O)=O)NC=O
-12230	mol	CCC(C)C(=O)ONC=O
-12231	mol	CCC(CC(O)=O)NC=O
-12232	mol	CCCC(C(O)=O)N(N)C(=O)N
-12233	mol	CCCCC(OON)=O
-12234	mol	CC(C)CC(OO)=O
-12235	mol	CCC(C)C(O)(O)O
-12236	mol	CCCC(C(O)=O)OC(=O)C(O)=O
-12237	mol	CCCC(C(O)O)OC(O)=O
-12238	mol	CCCCC(O[SiH3])=O
-12239	mol	CC(C)(C#C)[Si](F)(C#N)C#C
-12240	mol	CCC=C=C[Si](F)(F)C=C=C
-12241	mol	CCC=C=C[Si](F)(F)F
-12242	mol	C=C=CC=C[SiH2]C1C=COC1
-12243	mol	C=C=CC=C[SiH2]C1=COCC1
-12244	mol	CCC=C=C[SiH2]F
-12245	mol	CC(C)C=C[SiH3]
-12246	mol	CC#CC=C[SiH3]
-12247	mol	CCC=C=C[SiH3]
-12248	mol	CCCC#C[SiH3]
-12249	mol	CCCCC([SiH3])=C
-12250	mol	CCC#CC([SiH3])=C=C
-12251	mol	CCCCC([SiH3])CC
-12252	mol	CCCCC([SiH3])C=C
-12253	mol	CC(C)CC([SiH3])=C=C(Br)C=C=C
-12254	mol	CC(C)CC([SiH3])CC(Br)C=C=C
-12255	mol	CCC(C)C([SiH3])(C(C)C)C#N
-12256	mol	CCC=C=C[SiH](F)F
-12257	mol	CCC#CF
-12258	mol	CC(C)C(F)Br
-12259	mol	CCCC(F)Br
-12260	mol	CCC(=C(F)Br)C=C=C
-12261	mol	CC(C)C(F)=C
-12262	mol	CC(C)C(F)c1ccccc1
-12263	mol	CC(C)C(F)c1ccccc1O
-12264	mol	CCC=C(F)C1CC=CO1
-12265	mol	CC(C)C(F)c1ccncc1
-12266	mol	CC(C)C(F)(C1C=COC1)C=C
-12267	mol	CC(C)C(F)c1cocc1
-12268	mol	CCCC(F)c1cocc1
-12269	mol	CC=C=C(F)C=C
-12270	mol	CC(C)C(F)=C=C
-12271	mol	CCC=C(F)C=C
-12272	mol	CCCC(F)CC
-12273	mol	CCCC(F)=C=C
-12274	mol	CCCC(F)(C)C
-12275	mol	CCCC(F)C#C
-12276	mol	CCCC(F)(C)C1CCCO1
-12277	mol	CCCC(F)=Cc1cocc1
-12278	mol	CCc(c(F)cc1F)c(O)c1O
-12279	mol	CCCC(F)=Cc1occc1
-12280	mol	CC(C)C(F)C=C=C
-12281	mol	CCC=C(F)C=C=C
-12282	mol	CCCC(F)C(C)C
-12283	mol	CCc(c(F)ccc1F)c1O
-12284	mol	CCCC(F)=C=CC=C
-12285	mol	CCCC(F)(CC)CC
-12286	mol	CCCC(F)C#CC#C
-12287	mol	CCCC(F)CC(C)C
-12288	mol	CC(C)C(F)=C(CC)C(Br)=C=C
-12289	mol	CC(C)C(F)=CC#CC=C
-12290	mol	CCCC(F)C#CC#CC=C
-12291	mol	CCCC(F)(CC(C)C)C#N
-12292	mol	CCCC(F)=C=C(C=C)N(=O)=O
-12293	mol	CCC(=C(F)C=C)C(=O)N
-12294	mol	CCCC(F)CC=O
-12295	mol	CC(C)C(F)C(F)(O)O
-12296	mol	CC(C)C(F)Cl
-12297	mol	CC(C)C(F)C=O
-12298	mol	CCC=C(F)C(O)=O
-12299	mol	CCCC(F)C(O)=O
-12300	mol	CC(C)C(F)C(O)(O)C
-12301	mol	CCC=C(F)F
-12302	mol	CC(C)C(F)(F)C1CCCNC1
-12303	mol	CC(C)C(F)(F)C1CCCO1
-12304	mol	CCCC(F)(F)CC(C)C
-12305	mol	CCCC(F)(F)C(F)(F)F
-12306	mol	CCCC(F)(F)O
-12307	mol	CCC=C(F)O
-12308	mol	CCCC(F)O
-12309	mol	CCCC(F)=O
-12310	mol	CCCC(F)(O)C=C
-12311	mol	CCCC(F)(O)O
-12312	mol	CC(C)C(F)[SiH3]
-12313	mol	CCCCl
-12314	mol	CC=CCl
-12315	mol	CC(C)Cl
-12316	mol	CC#CCl
-12317	mol	CC(C)(Cl)Br
-12318	mol	CCC(Cl)c1ccccc1
-12319	mol	CC(C)(Cl)c1ccncc1
-12320	mol	CCC(Cl)c1cocc1
-12321	mol	CCC(Cl)=C=C
-12322	mol	CC=C(Cl)C=C=C
-12323	mol	CC(C)(Cl)C=C=C
-12324	mol	CC(C)(Cl)CC=C
-12325	mol	CCC(Cl)CC(C)Br
-12326	mol	CCC(Cl)=C=CC=C
-12327	mol	CCC(Cl)(C(C)(C)C)C#C
-12328	mol	CC(C(Cl)CC=C=C)C#N
-12329	mol	CCC(Cl)(C#C)C(C)([SiH3])N(=O)=O
-12330	mol	CCC(Cl)C(C)(C)[SiH3]
-12331	mol	CCC(Cl)(C(C)(C)[SiH3])C#C
-12332	mol	CCC(Cl)CC=O
-12333	mol	CCC(Cl)C(C)[SiH3]
-12334	mol	CCC(Cl)C(C)([SiH3])C#C
-12335	mol	CC=C(Cl)Cl
-12336	mol	CC(C)(Cl)Cl
-12337	mol	CC(C(Cl)(Cl)CC=C=C)C#N
-12338	mol	CC(C)(Cl)C#N
-12339	mol	CC(C)(Cl)[SiH3]
-12340	mol	C#CC(=C)N
-12341	mol	CC=CC#N
-12342	mol	CC(C)C#N
-12343	mol	CC#CC#N
-12344	mol	CCCC#N
-12345	mol	CC=C=CN1CCCCC1
-12346	mol	CCCC(N)C
-12347	mol	CCCCNc1ccccc1
-12348	mol	CC(C)CNc1ccccc1
-12349	mol	CCC(C)Nc1ccccc1
-12350	mol	CCCC(N)c1ccccc1
-12351	mol	CCCCNC1CCCCC1
-12352	mol	CC(C)CNC1CCCCC1
-12353	mol	CCC(C)NC1CCCCC1
-12354	mol	CCCC(N)C1CCCCC1
-12355	mol	CCC(C)N(C1CCCCC1)N
-12356	mol	CCCC(N)C1CCCCCCC1
-12357	mol	CC(C)CNc1cocc1
-12358	mol	CCC(C)Nc1cocc1
-12359	mol	C=C=CC(N)=C=C
-12360	mol	C=CC#CNC=C
-12361	mol	CC(C)(C#N)C=C
-12362	mol	CC(C)C(N)(C)C
-12363	mol	CC(C)C(N)C=C
-12364	mol	CC(C)CNC=C
-12365	mol	CCC(C)NC=C
-12366	mol	CCC(C#N)=C=C
-12367	mol	CCCC(N)CC
-12368	mol	CCCC(N)(C)C
-12369	mol	CCCC(N)C=C
-12370	mol	CCCCN(C)C
-12371	mol	CCCCNC=C
-12372	mol	CC(C)(C)N(C)c1ccccc1
-12373	mol	CCCCNCC1CCCCC1
-12374	mol	CCC(C(N)C)C1CCCCC1
-12375	mol	CCC(C)N(C)C1CCCCC1
-12376	mol	C=C=CC(N)=Cc1cocc1
-12377	mol	CCC(CNCC1N)C1F
-12378	mol	CC(C)C(N)C(C)C
-12379	mol	CCC(C)NC=C=C
-12380	mol	CCC(C)NC(C)C
-12381	mol	CCCC(N)CCC
-12382	mol	CCCC(N)(C)CC
-12383	mol	CCCC(N)C(C)C
-12384	mol	CCCC(N)CC=C
-12385	mol	CCCC(NC)CC
-12386	mol	CCCCN(C)CC
-12387	mol	CCCCN(C)C=C
-12388	mol	CCCCNC(C)C
-12389	mol	CCCC(N)C(C)c1ccccc1
-12390	mol	CCCC(N)(CC)C1CCCCCCC1
-12391	mol	CCCC(N)C#Cc1cocc1
-12392	mol	CCc(c(N)ccc1O)c1N
-12393	mol	CCc(c(N)ccc1O)c1O
-12394	mol	CCCCNCCCC
-12395	mol	CC(C)CNCC(C)C
-12396	mol	CCC(C)N(CC)CC
-12397	mol	CCC(C)N(CC)C=C
-12398	mol	CCC(C)NC(C)CC
-12399	mol	CCC(C#N)=CC=C=C
-12400	mol	CCCC(N)(CC)CC
-12401	mol	CCCC(N)C(C)CC
-12402	mol	CCCC(N)CC(C)C
-12403	mol	CCCCN(C)CCC
-12404	mol	CCCCN(CC)CC
-12405	mol	CCCCN(CC)C=C
-12406	mol	CCCCNC(C)CC
-12407	mol	CCCC(N)c(ccc1)cc1N
-12408	mol	CCCC(N)(CCC)c1ccccc1
-12409	mol	CCCCNCCCCC
-12410	mol	CCC(C)N(C(C)C)C=C
-12411	mol	CCC(C)N(C)C(C)CC
-12412	mol	CCC(C)N(CC)C(C)C
-12413	mol	CCCC(N)(C)CC(C)C
-12414	mol	CCCC(N)(CC)C(C)C
-12415	mol	CCCC(N)C(C)C(C)C
-12416	mol	CCCC(N)C(CC)CC
-12417	mol	CCCCN(C)CCCC
-12418	mol	CCCCN(C)C(C)CC
-12419	mol	CCCCN(CC)CCC
-12420	mol	CCCCN(CC)C(C)C
-12421	mol	CCCCN(CCC)C=C
-12422	mol	CCCCNC(C)CCC
-12423	mol	CCCC(N)C(CCC)C1CCCCC1
-12424	mol	CCCCNCCCCCC
-12425	mol	CCC(C)N(C(C)CC)C=C
-12426	mol	CCC(C)N(CC)C(C)CC
-12427	mol	CCC(C)NCC(CC)CC
-12428	mol	CCCC(N)CCCC(C)C
-12429	mol	CCCCN(C(C)CC)C=C
-12430	mol	CCCCN(CC)CCCC
-12431	mol	CCCCN(CC)C(C)CC
-12432	mol	CCCCN(CC)C(C)C=C
-12433	mol	CCCCN(CCC)C(C)C
-12434	mol	CCCCN(CCCC)C=C
-12435	mol	CCCCNCCC(C)CC
-12436	mol	CCCCNCCCCCCC
-12437	mol	CCC(C)N(C(C)C)C(C)CC
-12438	mol	CCCC(N)C(CCC)CCC
-12439	mol	CCCCN(C(C)C)C(C)CC
-12440	mol	CCCCN(C(C)CCC)C=C
-12441	mol	CCCCN(C)C(CC)CCC
-12442	mol	CCCCN(CC)C(C)CCC
-12443	mol	CCCCN(CCC)CCCC
-12444	mol	CCCCN(CCC)C(C)CC
-12445	mol	CCCCN(CCCC)C(C)C
-12446	mol	CCCCNC(CC)CCCC
-12447	mol	CCCCNC(CCC)C(C)C
-12448	mol	CCCCNCCCCCCCC
-12449	mol	CC(C)CN(CC(C)C)CC(C)C
-12450	mol	CCCC(N)C(CCC)C(C)CC
-12451	mol	CCCCN(CCCC)CC(C)C
-12452	mol	CCCC(N)C(CCC)C(CC)CCC
-12453	mol	CCCCN(C(C)CC)C(CCC)=O
-12454	mol	CCC(C)N(C(C)C(C)C)N
-12455	mol	CCCCN(C)C(C)CCN
-12456	mol	CCC(C)N(CC)CCC(N)C
-12457	mol	CCCC(N)(CC)CCC(N)C
-12458	mol	CCCCN(CC)CCC(N)C
-12459	mol	CCCC(N)(CC)C(C)C=O
-12460	mol	CCCC(N)C(CCC)C=O
-12461	mol	CCCCN(C(C)CC)C=O
-12462	mol	CCCCN(CC)C(CC)=O
-12463	mol	CCCCN(CCCC)C=O
-12464	mol	CCCCNC(C(C)CC)=O
-12465	mol	CCCCNC(CCCC)=O
-12466	mol	CCCCNCC(CC)C=O
-12467	mol	CCCCN(C(C)CC)C(=O)N
-12468	mol	CCCCNC(CCC)C(=O)N
-12469	mol	CCC(C)N(C(C)CC)C(O)=O
-12470	mol	CCC(C)NC(C)C(C)C(O)=O
-12471	mol	CCCC(N(CC)CC)C(O)=O
-12472	mol	CCCCN(C(C)CC)C(O)=O
-12473	mol	CCCCN(CC)CCC(O)=O
-12474	mol	CCCCN(CCC=C)C(O)=O
-12475	mol	CCCCN(CCCC)C(O)=O
-12476	mol	CCCCNC(CCC)C(O)=O
-12477	mol	CCC(C)N(C(C)CC)N
-12478	mol	CCCCN(C(C)CC)N
-12479	mol	CCCCN(CC)CCN
-12480	mol	CCCCN(CCCC)N
-12481	mol	CCCCN(C)CCC(N)C
-12482	mol	CCC(C)N(C(C)CC)NC=O
-12483	mol	CCC(C)N(C(C)C)C=O
-12484	mol	CCC(C)NC(CCC)=O
-12485	mol	CCCCN(CCC)C=O
-12486	mol	CCCCNC(C)CCO
-12487	mol	CCCC(N(CC)CC)OC=O
-12488	mol	CC(C)CN(C(C)C)C(=O)N
-12489	mol	CCC(C)N(C(C)C)C(O)=O
-12490	mol	CCCCN(C(C)C)C(O)=O
-12491	mol	CCCCN(CCC)C(O)=O
-12492	mol	CC(C)C(N)=C=CC#N
-12493	mol	CCC(C)N(C(C)C)N
-12494	mol	CCCC(N)=C=CC#N
-12495	mol	CCCCN(CCC)N
-12496	mol	CCCCN(CC)C(N)CCC
-12497	mol	CCCCN(C(C)C)NC=O
-12498	mol	CCCC(N)=C=C(C#N)C(O)=O
-12499	mol	CC(C)C(N)C(CC)=O
-12500	mol	CCC(C)N(CC)C=O
-12501	mol	CCC(C)NC(CC)=O
-12502	mol	CCCC(N)C(C)C=O
-12503	mol	CCCCN(CC)C=O
-12504	mol	CCCCNC(CC)=O
-12505	mol	CCCCN(CC)C(O)C
-12506	mol	CC(CCN(CC)C=O)C=C
-12507	mol	CCCC(N)(C(C)C=O)C=O
-12508	mol	CCC(C)N(CC)C(=O)N
-12509	mol	CCCC(N)C(C)C(=O)N
-12510	mol	CCCCN(CC)C(=O)N
-12511	mol	CCC(C)N(CC)C(O)=O
-12512	mol	CCC(C)NC=CC(O)=O
-12513	mol	CCCC(N)(C)CC(O)=O
-12514	mol	CCCCN(C=C)C(O)=O
-12515	mol	CCCCN(CC)C(O)=O
-12516	mol	CCCCNC(C)C(O)=O
-12517	mol	CC(C)CNC(Cl)=O
-12518	mol	CC(C)CN(CC)N
-12519	mol	CCC(=C)N(CC)N
-12520	mol	CCC(C)N(CC)N
-12521	mol	CCCC(N)(C)CN
-12522	mol	CCCCN(CC)N
-12523	mol	CCCCN(C)C(N)C
-12524	mol	CCC(C)NC(CN)CC
-12525	mol	CCCC(N)CC(N)CC
-12526	mol	CCCCNCC(N)CC
-12527	mol	CCC(C)N(CC)NC(C)C
-12528	mol	CCCCN(CCN)C(C)C
-12529	mol	CCC(C)N(C(CN)CC)C=C
-12530	mol	CCCCN(CCN)CCCC
-12531	mol	CCCCN(CCN)C(C)CC
-12532	mol	CC(CCN(CC)N)C=O
-12533	mol	CCC(C)N(C=C)NC=O
-12534	mol	CCC(C)N(CC)NC=O
-12535	mol	CCCC(N)C(C)NC=O
-12536	mol	CCCCN(C=C)NC=O
-12537	mol	CCCCN(CC)NC=O
-12538	mol	CCCCNCC(N)C=O
-12539	mol	CCCCNCC(N)N
-12540	mol	CC(C)(C)N(C)C=O
-12541	mol	CCCCN(C)C=O
-12542	mol	CCC(C)NC(CO)CC
-12543	mol	CCCCN(CC=O)C(C)=O
-12544	mol	CCCCN(CC(O)C)N
-12545	mol	CCCCN(CC)OC=O
-12546	mol	CCCCNCC(O)C=O
-12547	mol	CCCC(N)(C)C(O)N
-12548	mol	CCC(C)N(C)C(O)=O
-12549	mol	CCCCNCC(O)=O
-12550	mol	CCCCNC(C(O)=O)NC=O
-12551	mol	CCCC(N)=C(F)C
-12552	mol	CCC(C#N)=C(F)C=C=C
-12553	mol	CCCC(N)=C(F)OC=O
-12554	mol	CCCCN(Cl)C(Br)=O
-12555	mol	CC(C)(C)N(C)N
-12556	mol	CC(CC#N)C#N
-12557	mol	CCCCN(C)N
-12558	mol	CCCCNC#N
-12559	mol	CCCCNC(N)CC
-12560	mol	CCCC(N)C(N)(C)C=C
-12561	mol	CCCC(N)C(N)(C)CCC
-12562	mol	CCCC(N)C(N)(CC)C=C
-12563	mol	CCC(C)N(C(N)(C)CN)N
-12564	mol	CCCCNC(N)CN
-12565	mol	CCC(C(N)C)NC=O
-12566	mol	CCCCNC(N)(N)C
-12567	mol	CC(C)(C)NC=O
-12568	mol	CC(C)C(N)C=O
-12569	mol	CC(C)CNC=O
-12570	mol	CCC(C)NC=O
-12571	mol	CCCC(N)CO
-12572	mol	CCCC(N)C=O
-12573	mol	CCCCNC=O
-12574	mol	CC(C)(CNC=O)c1ccccc1
-12575	mol	CCC(C)NC(=O)C=C
-12576	mol	CCCC(N)(CO)C=C
-12577	mol	CCCCN(C=O)C=C
-12578	mol	CC(C)CN(C(O)(C)C1CCCCC1)C=O
-12579	mol	CCCC(N)C(O)(C)C=C
-12580	mol	CCCCNC(O)CCC
-12581	mol	CCCCNC(O)C(CC)C=O
-12582	mol	CCC(C)NC(OC=C)=O
-12583	mol	CCC(CNC=O)C(=O)N
-12584	mol	CCCC(N)C(O)C(ON)=O
-12585	mol	CCC(C)N(C=O)C(O)=O
-12586	mol	CCCC(N)=C(OC=O)OC=O
-12587	mol	CC(C)(C)NC(=O)N
-12588	mol	CC(C)CNC(=O)N
-12589	mol	CCC(C)NC(=O)N
-12590	mol	CCCC(N)C(=O)N
-12591	mol	CCCCNC(=O)N
-12592	mol	CCCCNC(O)(N)C
-12593	mol	CCCCNC(=O)NCC
-12594	mol	CCCC(NC=O)NC=O
-12595	mol	CC(C)CNC(=O)N(O)N
-12596	mol	CC(C)C(N)C(O)=O
-12597	mol	CC(C)CNC(O)=O
-12598	mol	CCC(C)NC(O)=O
-12599	mol	CCCC(N)C(O)=O
-12600	mol	CCCCNC(O)=O
-12601	mol	CC(C)C(N)(C(O)=O)c1ccccc1
-12602	mol	CCC(C)N(C(O)=O)C(O)=O
-12603	mol	CCCCN(C(O)=O)C(O)=O
-12604	mol	CCCCN(F)CC
-12605	mol	CCC(C)N(F)C=C=C
-12606	mol	CCCCN(F)CCC
-12607	mol	CCCC[NH](O)=O
-12608	mol	CCC(C[NH](O)=O)C=O
-12609	mol	CCCCNN
-12610	mol	CC(C)CNN
-12611	mol	CC(C)(C)NN
-12612	mol	CCC(C)NN
-12613	mol	CCCC(N)N
-12614	mol	CCC(C)NNC
-12615	mol	CCCC(N)(N)C
-12616	mol	CCCCNNCC
-12617	mol	CCC(C)N(N)C=C
-12618	mol	CCCC(N)(N)CC
-12619	mol	CCCCN(N)C=C
-12620	mol	CCCCNNC=C
-12621	mol	CCCCNN(C)CC
-12622	mol	CCCCNNC(C)C
-12623	mol	CCCC(N)(N)C(C)C=C
-12624	mol	CCCCNNC(C)CC
-12625	mol	CCCCNN(CC)CCCC
-12626	mol	CCCCN(N)C(C(C)CC)=O
-12627	mol	CCCCNN(C(C)(C)C)C(=O)N
-12628	mol	CCCCN(N)C(CCC)=O
-12629	mol	CCCCNN(CC)N
-12630	mol	CCCC(N)N(CC)NC=O
-12631	mol	CC(C)(C)N(N)C(C)=O
-12632	mol	CC(C)(C)NNC=O
-12633	mol	CCC(C)N(N)C=O
-12634	mol	CCCC(N)(N)C=O
-12635	mol	CCCCNNC=O
-12636	mol	CCCC(N)(N)C(O)C
-12637	mol	CCCC(N)(N)C(O)(C)C=C
-12638	mol	CC(C)(C)N(N)C(=O)N
-12639	mol	CC(C)CN(N)C(=O)N
-12640	mol	CCCCN(N)C(=O)N
-12641	mol	CC(C)C(N)(N)C(O)=O
-12642	mol	CC(C)C(N)NC(O)=O
-12643	mol	CC(C)CN(N)C(O)=O
-12644	mol	CCC(C)N(N)C(O)=O
-12645	mol	CCC(C)NNC(O)=O
-12646	mol	CCCCN(N)C(O)=O
-12647	mol	CCCCNNC(O)=O
-12648	mol	CCCCNN(C(O)=O)C(=O)N
-12649	mol	CCCCNNN
-12650	mol	CC(C)C(N)(N)N
-12651	mol	CC(C)CN(N)N
-12652	mol	CCC(C)NNN
-12653	mol	CCCCN(N)N
-12654	mol	CCCCNN(N)N
-12655	mol	CCCCNN(O)C
-12656	mol	CCCCNN(O)CC
-12657	mol	CCCCNN(O)C=C
-12658	mol	CCC(CNN(O)CC)C=C
-12659	mol	CC(C)CN(NO)C(O)=O
-12660	mol	CCCC(N)(NO)C(O)=O
-12661	mol	CCC(C(N)(NO)C(O)=O)C=O
-12662	mol	C#CC=CNN(=O)=O
-12663	mol	CCC(C)N(O)C
-12664	mol	CCC(C)N(O)C1CCCCC1
-12665	mol	CCCC(N)OC1CCCCC1
-12666	mol	CCCCN(O)C1CCCCC1
-12667	mol	CCC(C)N(O)C=C
-12668	mol	CCCCN(O)CC
-12669	mol	CCC(C)N(O)C(C)C
-12670	mol	CCCCN(O)CCC
-12671	mol	CCCCN(O)C(C)C
-12672	mol	CC(C)CN(O)C(C)(C)C
-12673	mol	CCC(C)N(O)C(C)CC
-12674	mol	CCCC(NO)C(C)CC
-12675	mol	CCCCN(O)CCCC
-12676	mol	CCCCN(O)C(C)CC
-12677	mol	CCCCNOC(C)CC
-12678	mol	CCCCN(O)C(CCCC)=O
-12679	mol	CCC(C)N(OC)C(O)=O
-12680	mol	CCC(C)NOC=O
-12681	mol	CCCCN(O)C=O
-12682	mol	CCC(C)N(OC=O)N
-12683	mol	CC(C)(C)N(O)C(ONC(=O)N)=O
-12684	mol	CC(C)(C)N(O)C(ON)=O
-12685	mol	CC(C)CN(O)C(ON)=O
-12686	mol	CCC(C)N(O)C(O)=O
-12687	mol	CCCCN(O)C(O)=O
-12688	mol	CCCCNOC(O)=O
-12689	mol	CC(C)CN(O)N
-12690	mol	CCC(C)N(O)N
-12691	mol	CCCCN(O)N
-12692	mol	CCC(C)N(O)NC=O
-12693	mol	C=C=CCN(=O)=O
-12694	mol	C=CC#CN(=O)=O
-12695	mol	C#CC#CN(=O)=O
-12696	mol	CC=C=CN(=O)=O
-12697	mol	CC(C)CN(=O)=O
-12698	mol	CCC=CN(=O)=O
-12699	mol	CCC(C)N(=O)=O
-12700	mol	CCCCN(=O)=O
-12701	mol	CC(C)(CN(=O)=O)c1occc1
-12702	mol	CC(CCN(=O)=O)C=O
-12703	mol	CC(C(C)N(=O)=O)N(=O)=O
-12704	mol	C=C=CC=O
-12705	mol	C#CCC=O
-12706	mol	CC=CC=O
-12707	mol	CC(=C)C=O
-12708	mol	CC(C)C=O
-12709	mol	CC#CC=O
-12710	mol	CCC=CO
-12711	mol	CCC(C)=O
-12712	mol	CCC#CO
-12713	mol	CCCC=O
-12714	mol	CC(CCO1)=C1Cl
-12715	mol	CCc(co1)cc1C
-12716	mol	CCc(co1)cc1O
-12717	mol	CCC(CO1)CC1O
-12718	mol	CCC(CO1)CC1(O)C(C)CC
-12719	mol	C=Cc(co2)cc2C1CCCO1
-12720	mol	C=Cc(co2)cc2C1CC=CO1
-12721	mol	C#Cc(co2)cc2C1CCCO1
-12722	mol	C#Cc(co2)cc2C1CC=CO1
-12723	mol	C#CC(CO2)CC2C1CC=CO1
-12724	mol	C=Cc(co2)cc2C1CCOC1
-12725	mol	C=Cc(co2)cc2C1C=COC1
-12726	mol	C#Cc(co2)cc2C1CCOC1
-12727	mol	CC=CC(O)=C
-12728	mol	CC(C)C(O)=C
-12729	mol	CCC=C(O)C
-12730	mol	CCCC(O)C
-12731	mol	CCCC(O)=C
-12732	mol	CCc(coc1C)c1Br
-12733	mol	CC(C)c(oc1)cc1C
-12734	mol	CC#Cc(oc1)cc1C
-12735	mol	CCCc(oc1)cc1C
-12736	mol	CCc(coc1C)c1CC
-12737	mol	CCc(coc1C)c1C=C
-12738	mol	CC(C)C(OC1)=CC1C#C
-12739	mol	CCc(coc1C)c1C=C=C
-12740	mol	CCc(coc1C)c1C(O)=O
-12741	mol	CCc(coc1C)c1F
-12742	mol	CCc(coc1C)c1O
-12743	mol	CC(C)c(oc1)cc1O
-12744	mol	CCCc(oc1)cc1O
-12745	mol	CCc(coc1C)c1OC=O
-12746	mol	CC(C)C(OC1)=CC1OC=O
-12747	mol	CCCC(OC1C)=CC1
-12748	mol	CCCCOc1ccccc1
-12749	mol	C#CC#COc1ccccc1
-12750	mol	CC(C)COc1ccccc1
-12751	mol	CC(C)=C(O)c1ccccc1
-12752	mol	CC(C)(C=O)c1ccccc1
-12753	mol	CC(C)C(=O)c1ccccc1
-12754	mol	CC(C)C(O)c1ccccc1
-12755	mol	CC(CC=O)c1ccccc1
-12756	mol	CCC=C(O)c1ccccc1
-12757	mol	CCC(=CO)c1ccccc1
-12758	mol	CCC(C=O)c1ccccc1
-12759	mol	CCC(C)Oc1ccccc1
-12760	mol	CCCC(=O)c1ccccc1
-12761	mol	CCCC(O)c1ccccc1
-12762	mol	CCCCOC1CCCCC1
-12763	mol	C=CC#COC1CCCCC1
-12764	mol	C#CC#COC1CCCCC1
-12765	mol	CC(C)COC1CCCCC1
-12766	mol	CC(C)(C)OC1CCCCC1
-12767	mol	CC(C)C(O)C1CCCCC1
-12768	mol	CCC=C(O)C1CCCCC1
-12769	mol	CCC(C)OC1CCCCC1
-12770	mol	CCCC(O)C1CCCCC1
-12771	mol	CCCCOc1ccccc1C
-12772	mol	CC(C)COc1ccccc1C
-12773	mol	CCCCOC1CCCCC1C
-12774	mol	CC(C)COC1CCCCC1C
-12775	mol	CCC(C)OC1CCCCC1C
-12776	mol	CCCC(=O)c1ccccc1CCC
-12777	mol	CCCC(=O)c1ccccc1C(C)C
-12778	mol	CC(C)C(=O)c1ccccc1C=O
-12779	mol	CCCC(=O)c1ccccc1C=O
-12780	mol	CCCC(OC1CC(CCC1)C=O)=O
-12781	mol	CCCCOC1CCCCC1N
-12782	mol	CCC(C)OC1CCCCC1N
-12783	mol	CC(C)COc1ccccc1O
-12784	mol	CC(C)(C)Oc1ccccc1O
-12785	mol	CC(C)C(=O)c1ccccc1O
-12786	mol	CCC(C)Oc1ccccc1O
-12787	mol	CCCC(O)c1ccccc1O
-12788	mol	CCCCOC1CCCCC1O
-12789	mol	CC(C)C(OC1CCCCC1)=O
-12790	mol	CCC(C)OC1CCCCC1O
-12791	mol	CCCC(OC1CCCCC1)=O
-12792	mol	CC(C)C(=O)c1ccc(C)cc1C
-12793	mol	CCCC(=O)c1ccc(C)cc1C
-12794	mol	CCCC(=O)c1ccc(C)cc1CCC
-12795	mol	CC(C)C(=O)c1ccc(C)cc1CCCC(O)=O
-12796	mol	CCCC(=O)c1ccc(C)cc1CCCC(O)=O
-12797	mol	CC(C)COC1C(CC(C)CC1CC)C=O
-12798	mol	CCCC(=O)c1ccc(C)cc1C=O
-12799	mol	CC(C)(C=O)c1cc(C)ccc1C=O
-12800	mol	CC(C)C(=O)c1cc(C)ccc1C=O
-12801	mol	CCCC(=O)c1cc(C)ccc1C=O
-12802	mol	CCCC(O)C1CCCCCCC1
-12803	mol	CC(C)COC1C(CC(CC)CC1C)C=O
-12804	mol	CC(C)COC1CC(C(CC)CC1C)C=O
-12805	mol	CC(C)COC1CCC(C(CC)C1C)C=O
-12806	mol	CC(C)C(=O)c1c(C(C)C)cc(C)cc1C
-12807	mol	CCCC(=O)c1c(C(C)C)cc(C)cc1C
-12808	mol	CCCC(=O)c1c(C(C)C)cc(C)cc1CCCC=O
-12809	mol	C#CC#COC1CCCO1
-12810	mol	C#CC#COC1=CCCO1
-12811	mol	C#CC#COC1CC=CO1
-12812	mol	CC(C)COC1CCCO1
-12813	mol	CC(C)C(O)C1CCCO1
-12814	mol	CC(C)C(O)C1=CCCO1
-12815	mol	CC(C)C(O)C1CC=CO1
-12816	mol	CC(C)COC1CC=CO1
-12817	mol	CCC=C(O)C1CCCO1
-12818	mol	CCC=C(O)C1CC=CO1
-12819	mol	CCCC(O)C1CCCO1
-12820	mol	CCCC(O)C1CC=CO1
-12821	mol	CCCCOC1CC=CO1
-12822	mol	CCC(C(O)C1CC=CO1)C=C
-12823	mol	CCCC(O)(C1CCCO1)C#C
-12824	mol	CCC(=C(O)C1CC=CO1)C=O
-12825	mol	CCCC(O)(C1CCCO1)C=O
-12826	mol	CCCC(OC1CC=CO1)=O
-12827	mol	CCCC(OC1CCCO1)=O
-12828	mol	CCCCOC1CCOC1
-12829	mol	C#CC#COC1CCOC1
-12830	mol	CC(C)COC1CCOC1
-12831	mol	CC(C)COC1C=COC1
-12832	mol	CCCC(O)C1CCOC1
-12833	mol	CCCCOC1C=COC1
-12834	mol	CC(C)COc1ccoc1C=C
-12835	mol	CC(C)C(O)(C1C=COC1)C=C
-12836	mol	CCC(=C(O)C1C=COC1)C=O
-12837	mol	CCCC(OC1CCOC1)=O
-12838	mol	CCC(COC1Cl)C1Cl
-12839	mol	CC(C)c(oc1Cl)c(C=C)c1Cl
-12840	mol	CCCCOc1cocc1
-12841	mol	C=CC=COc1cocc1
-12842	mol	C#CC=COc1cocc1
-12843	mol	CC(C)COc1cocc1
-12844	mol	CC(C)(C=O)c1cocc1
-12845	mol	CC(C)C(=O)c1cocc1
-12846	mol	CC(C)C(O)c1cocc1
-12847	mol	CC(CC=O)c1cocc1
-12848	mol	CCC=C(O)c1cocc1
-12849	mol	CCC(=CO)c1cocc1
-12850	mol	CCC(C=O)c1cocc1
-12851	mol	CCC(C)Oc1cocc1
-12852	mol	CCC#COc1cocc1
-12853	mol	CCCC(=O)c1cocc1
-12854	mol	CCCC(O)c1cocc1
-12855	mol	C=C=C(C=O)C1=COCC1
-12856	mol	CC(C)COC1=COCC1
-12857	mol	CCC(=C(O)c1cocc1)C=C
-12858	mol	C=C=CC(Oc1cocc1)=O
-12859	mol	CCc(coc1O)c1C=C
-12860	mol	CCc(coc1O)c1C#C
-12861	mol	CCc(coc1O)c1O
-12862	mol	CCc(coc1O)c1OC=O
-12863	mol	CC(C)c(oc1O)cc1C=O
-12864	mol	CCCc(oc1O)cc1C(O)=O
-12865	mol	CC(C)c(oc1O)cc1OC=O
-12866	mol	CCCc(oc1O)cc1OC=O
-12867	mol	CCCCOc1occc1
-12868	mol	CC(C)COc1occc1
-12869	mol	CC(C)(C=O)c1occc1
-12870	mol	CC(CC=O)c1occc1
-12871	mol	CCC=C(O)c1occc1
-12872	mol	CC(CC(O)c1occc1)C=C
-12873	mol	CCCC(OC1OC=O)=CC1
-12874	mol	CCCC(=O)c2ccccc2C1CCCCC1
-12875	mol	CCCC(O)(C2CCCCC2)C(C)C1CCCCC1
-12876	mol	CCCCOC(Br)=O
-12877	mol	C=C=C(C=O)C=C
-12878	mol	C=C=CC(=O)C=C
-12879	mol	C=C=CC(=O)C#C
-12880	mol	C=CCC(=O)C=C
-12881	mol	C=CCC(=O)C#C
-12882	mol	C#CC(C=O)C=C
-12883	mol	C#CCC(=O)C#C
-12884	mol	C#CCCOC=C
-12885	mol	CC=C(C)OC=C
-12886	mol	CC(C)(C=O)C=C
-12887	mol	CC(C)(C)OC=C
-12888	mol	CC(C)(C)OC#C
-12889	mol	CC(C)C(=O)C=C
-12890	mol	CC(C)C(=O)C#C
-12891	mol	CC(C)C(O)=CC
-12892	mol	CC(C)C(O)(C)C
-12893	mol	CC(C)C(O)C=C
-12894	mol	CC(C)C(O)C#C
-12895	mol	CC(C)COC=C
-12896	mol	CC(C)COC#C
-12897	mol	CC(CC=O)C=C
-12898	mol	CC(CC=O)C#C
-12899	mol	CC#CC(=O)C#C
-12900	mol	CCC=C(O)CC
-12901	mol	CCC=C(O)C=C
-12902	mol	CCC=COC=C
-12903	mol	CCC=COC#C
-12904	mol	CCC(C=O)C=C
-12905	mol	CCC(C)OC=C
-12906	mol	CCC(C)OC#C
-12907	mol	CCC#COC=C
-12908	mol	CCC#COC#C
-12909	mol	CCCC(=O)C=C
-12910	mol	CCCC(=O)C#C
-12911	mol	CCCC(O)CC
-12912	mol	CCCC(O)=CC
-12913	mol	CCCC(O)(C)C
-12914	mol	CCCC(O)C=C
-12915	mol	CCCC(O)C#C
-12916	mol	CCCCOC=C
-12917	mol	CCCCOC#C
-12918	mol	CCCc(occ1C)c1C=C
-12919	mol	CC(C)c(occ1C)c1O
-12920	mol	CC(C)c(occ1C)c1OC=O
-12921	mol	CCCc(occ1C)c1OC=O
-12922	mol	CCCCOCc1ccccc1
-12923	mol	C#CC(C=O)Cc1ccccc1
-12924	mol	CC(C)C(O)=Cc1ccccc1
-12925	mol	CC(CC=O)Cc1ccccc1
-12926	mol	CCC(=C(O)C)c1ccccc1
-12927	mol	CCC(C=O)Cc1ccccc1
-12928	mol	CCCC(=O)Cc1ccccc1
-12929	mol	CCCC(O)Cc1ccccc1
-12930	mol	CCCC(O)(C)c1ccccc1
-12931	mol	CC(C)C(O)CC1CCCCC1
-12932	mol	CC(C)C(O)(C)C1CCCCC1
-12933	mol	CCC(C(O)C)C1CCCCC1
-12934	mol	CCCC(O)CC1CCCCC1
-12935	mol	CCCC(O)(C)C1CCCCC1
-12936	mol	CCCC(OC)C1CCCCC1
-12937	mol	CCC(C)OC(C1CCCCC1)=O
-12938	mol	CC(C)(C=O)Cc1ccc(C=O)cc1
-12939	mol	CCC(C=O)Cc1ccc(C=O)cc1
-12940	mol	CC(C)C(=O)c(c1CC)c(C=O)ccc1C
-12941	mol	CCCC(=O)c(c1CC)c(C=O)ccc1C
-12942	mol	CC(C)COCC1CCCO1
-12943	mol	CCC(=C(O)C)C1=CCCO1
-12944	mol	CC(C)COC(C1CCCO1)=O
-12945	mol	CCC=COC(C1CCCO1)=O
-12946	mol	CCCCOC(C1CC=CO1)=O
-12947	mol	CCCCOC(C1CCCO1)=O
-12948	mol	CCCC(=O)C(C1CCOC1)=C
-12949	mol	CC(C)C(=O)C(C1CCOC1)=O
-12950	mol	CC(C)COC(C1CCOC1)=O
-12951	mol	CC(C)c(occ1Cl)c1C#N
-12952	mol	C#CC(C=O)Cc1cocc1
-12953	mol	CC(C)C(O)(C)c1cocc1
-12954	mol	CC(CC=O)Cc1cocc1
-12955	mol	CCc(c(O)cc1F)c(F)c1C
-12956	mol	CCCc(occ1O)c1C
-12957	mol	CCCc(occ1O)c1C=C
-12958	mol	CCCc(occ1O)c1C=O
-12959	mol	CC(C)c(occ1O)c1O
-12960	mol	CCCc(occ1O)c1O
-12961	mol	CC(C)c(occ1O)c1OC=O
-12962	mol	C#CC(C=O)Cc1occc1
-12963	mol	CC(C)C(=O)Cc1occc1
-12964	mol	CC(C)C(O)=Cc1occc1
-12965	mol	CCCC(O)Cc1occc1
-12966	mol	CCCC(O)=Cc1occc1
-12967	mol	CCCC(=O)C(c1occc1)=C
-12968	mol	CC(C)C(=O)c(c2CC)cc(c1ccccc1)c(C)c2CC
-12969	mol	CCCC(=O)c(c2CC)cc(c1ccccc1)c(C)c2CC
-12970	mol	C=C=CC(=O)C=C=C
-12971	mol	CC=C(C=O)C=C=C
-12972	mol	CC(C)C(=O)C=C=C
-12973	mol	CC(C)C(O)=CC=C
-12974	mol	CC(C)C(O)(C)C#C
-12975	mol	CC(C)C(O)C(C)C
-12976	mol	CC(C)COC=C=C
-12977	mol	CC(C)COC#CC
-12978	mol	CC(C)COCC#C
-12979	mol	CC(CC=O)CC=C
-12980	mol	CCC=C(O)C(C)C
-12981	mol	CCC(=C(O)C)C=C
-12982	mol	CCC(C=O)=CC=C
-12983	mol	CCC(C(O)C)C=C
-12984	mol	CCC(C)OC(C)C
-12985	mol	CCCC(=O)C=CC
-12986	mol	CCCC(=O)C#CC
-12987	mol	CCCC(O)CCC
-12988	mol	CCCC(O)=CCC
-12989	mol	CCCC(O)=CC=C
-12990	mol	CCCC(O)(C)CC
-12991	mol	CCCC(O)(C)C=C
-12992	mol	CCCC(O)C(C)C
-12993	mol	CCCC(OC)CC
-12994	mol	CCCC(OC#C)=C
-12995	mol	CCCCOC(C)C
-12996	mol	CCCCOCC=C
-12997	mol	CCc(c(O)ccc1C)c1O
-12998	mol	CCC(C)OC(CC1)CCC1C
-12999	mol	CCCCOC(CC1)CCC1C
-13000	mol	CC(C)C(=O)c(cc1)ccc1C(C)C
-13001	mol	CCCC(=O)c(cc1)ccc1CCC
-13002	mol	CCCC(=O)c(cc1)ccc1C(C)C
-13003	mol	CCC(C)OC(CC1)CCC1N
-13004	mol	CCCCOC(CC1)CCC1N
-13005	mol	CCC=C(O)c(cc1)ccc1O
-13006	mol	CCC(C)Oc(cc1)ccc1O
-13007	mol	CCC(C)OC(CC1)CCC1O
-13008	mol	CCCCOC(CC1)CCC1O
-13009	mol	CCC(C(O)C)CC1CCCCC1
-13010	mol	CCCC(O)(CC)C1CCCCC1
-13011	mol	CC(C)C(=O)c(cc1C)cc(CC)c1C
-13012	mol	CCCC(=O)c(cc1C)cc(CC)c1C
-13013	mol	CCCC(=O)c(cc1CCC)c(CCCC(O)=O)cc1C
-13014	mol	CCCCOC#CC1CCCO1
-13015	mol	C#CC#COC#CC1C=COC1
-13016	mol	CC(C)C(O)C(C)C1C=COC1
-13017	mol	CCCC(O)C(C)C1C=COC1
-13018	mol	CC(CC=O)(C#C)c1cocc1
-13019	mol	CC(CC(=O)C=C)c1cocc1
-13020	mol	CCC(C=O)(C=C)c1cocc1
-13021	mol	CCC(C=O)C(C)c1cocc1
-13022	mol	CCC#COC=Cc1cocc1
-13023	mol	CCCC(O)(C=C)c1cocc1
-13024	mol	CCCC(O)C(C)c1cocc1
-13025	mol	CCc(c(O)ccc1F)c1N
-13026	mol	CCC(C(O)CCC1O)C1C
-13027	mol	CCc(c(O)ccc1O)c1N
-13028	mol	CCc(c(O)ccc1O)c1O
-13029	mol	C#CC#COC=Cc1occc1
-13030	mol	CCCC(O)=C(C)c1occc1
-13031	mol	CCCC(=O)c(cc2)ccc2C1CCCCC1
-13032	mol	CCCCOCCCC
-13033	mol	C#CC=COC=CC=C
-13034	mol	C#CC=COC=CC#C
-13035	mol	C#CC#COC#CC=C
-13036	mol	CC(C)(C=O)CC=C=C
-13037	mol	CC(C)(COC#C)C#C
-13038	mol	CC(C)C(O)=C=CC=C
-13039	mol	CC(C)C(O)(C#C)C#C
-13040	mol	CC(C)C(O)C(C)(C)C
-13041	mol	CC(C)C(OC=C)C=C
-13042	mol	CC(C)C(OC=C)C#C
-13043	mol	CC(C)C(OC#C)C#C
-13044	mol	CC(C)COC=CC=C
-13045	mol	CC(C)COC#CCC
-13046	mol	CC(C)COC#CC=C
-13047	mol	CC(C)COCC(C)C
-13048	mol	CC(C#C)OC#CC#C
-13049	mol	CC(CC=O)(C#C)C=C
-13050	mol	CC(CC=O)(C#C)C#C
-13051	mol	CC#CC(=O)C#CC#C
-13052	mol	CCC=C(OC#C)C#C
-13053	mol	CCC(=CO)C=CC=C
-13054	mol	CCC(=COC=C)C#C
-13055	mol	CCC(C=O)=CC=C=C
-13056	mol	CCC(C(O)C)C(C)C
-13057	mol	CCC(C)(OC#C)C#C
-13058	mol	CCC(C)OC=CC=C
-13059	mol	CCC(C)OC(=C)C=C
-13060	mol	CCC(C)OC(C)CC
-13061	mol	CCC(C)OC(C)C#C
-13062	mol	CCC(C)OCC(C)C
-13063	mol	CCC(COC#C)C#C
-13064	mol	CCC#COC#CC=C
-13065	mol	CCCC(=O)C#CC#C
-13066	mol	CCCC(O)=CC(C)C
-13067	mol	CCCC(O)(C=C)C=C
-13068	mol	CCCC(O)(C)CCC
-13069	mol	CCCC(O)(C)C=C=C
-13070	mol	CCCC(O)(C)C(C)C
-13071	mol	CCCC(O)(C#C)C=C
-13072	mol	CCCC(O)(CC)CC
-13073	mol	CCCC(O)C(C)CC
-13074	mol	CCCC(O)CC(C)C
-13075	mol	CCCC(O)CCC=C
-13076	mol	CCCC(OC=C)C=C
-13077	mol	CCCC(OC=C)C#C
-13078	mol	CCCC(OC)CCC
-13079	mol	CCCC(OC#C)C=C
-13080	mol	CCCC(OC#C)C#C
-13081	mol	CCCCOC=CC=C
-13082	mol	CCCCOC(C)CC
-13083	mol	CCCCOC(C)(C)C
-13084	mol	CCCCOC(C)C#C
-13085	mol	CCCCOC(CC)=C
-13086	mol	CCCCOC#CCC
-13087	mol	CCCCOC#CC#C
-13088	mol	CCCCOCC(C)C
-13089	mol	CC(C)(C=O)c(ccc1)cc1C
-13090	mol	CCC(C)OC(CCC1)CC1C
-13091	mol	CCCCOC(CCC1)CC1C
-13092	mol	CCCC(=O)c(ccc1)cc1CCC
-13093	mol	CCCC(=O)c(ccc1)cc1C(C)C
-13094	mol	CC(C)C(=O)c(ccc1)cc1C=O
-13095	mol	CCCC(=O)c(ccc1)cc1C=O
-13096	mol	CCCCOc(ccc1)cc1N
-13097	mol	CCC(C)OC(CCC1)CC1N
-13098	mol	CCCCOC(CCC1)CC1N
-13099	mol	CCC(C)Oc(ccc1)cc1O
-13100	mol	CCC(C)OC(CCC1)CC1O
-13101	mol	CCCCOC(CCC1)CC1O
-13102	mol	CC(C)COC(CCC1CC)C(C1C)C=O
-13103	mol	CCC(C=O)C(CC)c1ccccc1
-13104	mol	CCCC(O)CCCC1CCCCC1
-13105	mol	CC(C)C(=O)c(ccc1C)c(C=O)c1CC
-13106	mol	CCCC(=O)c(ccc1C)c(C=O)c1CC
-13107	mol	CCCC(OC(CCC1O)CC1C=O)=O
-13108	mol	CCCC(=O)c(ccc2)cc2C1CCCCC1
-13109	mol	CCCCOCCCCC
-13110	mol	CC(C)C(=O)C=CC=C=C
-13111	mol	CC(C)C(O)=C(C)C(C)C
-13112	mol	CC(C)C(O)(C)CCC=C
-13113	mol	CC(C)C(O)(CC=C)C#C
-13114	mol	CC(C)C(OC#C)=CC#C
-13115	mol	CC(C)C(OC#CC)C#C
-13116	mol	CC(CC=O)C(C=C)C=C
-13117	mol	CC(CC=O)C(C#C)C#C
-13118	mol	CC(CC=O)CC#CC#C
-13119	mol	CCC(=CO)C(C(C)C)=C
-13120	mol	CCC(C)OC(C)(C)CC
-13121	mol	CCC(C)OC(C)(C)C#C
-13122	mol	CCC(C)OC(C)C(C)C
-13123	mol	CCC(C)OC(CC)CC
-13124	mol	CCC(C)OCC(C)CC
-13125	mol	CCC(C)OCC(C)(C)C
-13126	mol	CCC(C)OCCC(C)C
-13127	mol	CCCC(O)=CC(=C)C=C
-13128	mol	CCCC(O)=CC(C)(C)C
-13129	mol	CCCC(O)(C(C)C)C=C
-13130	mol	CCCC(O)(C)C(C)CC
-13131	mol	CCCC(O)(C)C(C)(C)C
-13132	mol	CCCC(O)(C)CC(C)C
-13133	mol	CCCC(O)(CC=C)C=C
-13134	mol	CCCC(O)(CC=C)C#C
-13135	mol	CCCC(O)(CC)CCC
-13136	mol	CCCC(O)(CC)C(C)C
-13137	mol	CCCC(O)C(C)CCC
-13138	mol	CCCC(O)C(CC)CC
-13139	mol	CCCC(O)C(CC)=CC
-13140	mol	CCCC(O)CC(C)CC
-13141	mol	CCCC(O)CCC(C)C
-13142	mol	CCCC(OC=C)=CC=C
-13143	mol	CCCCOC=C(C)C=C
-13144	mol	CCCCOC(C)CCC
-13145	mol	CCCCOC(C)=CC=C
-13146	mol	CCCCOC(C)(C)CC
-13147	mol	CCCCOC(CC)CC
-13148	mol	CCCCOCC(C)CC
-13149	mol	CCCCOCCC(C)C
-13150	mol	CCC(C=O)C(C)(CC)c1ccccc1
-13151	mol	CCCC(O)(CC)C(C)C1CCCCC1
-13152	mol	CCCCOCCCCCC
-13153	mol	CC(C)C(O)=C(C(C)C)C=C
-13154	mol	CC(C)C(OC(C)C=C)C=C
-13155	mol	CC(C)COC#CC(C)CC
-13156	mol	CC(C)COC#CCC(C)C
-13157	mol	CC(CC=O)(CC=C)C=C=C
-13158	mol	CCC=C(O)C=CC(C)(C)C
-13159	mol	CCC(C=O)=C(C)C#CC=C
-13160	mol	CCC(C(O)(C=C)C=C)C=C
-13161	mol	CCC(C)OC(C)(C)C(C)C
-13162	mol	CCC(C)OC(C)C(C)CC
-13163	mol	CCC(C)OC(C)C(C)C=C
-13164	mol	CCC(C)OC(C)CC(C)C
-13165	mol	CCC(C)OC(CC)C(C)C
-13166	mol	CCC(C)OC(CC)CC=C
-13167	mol	CCC(C)OCC(C)C(C)C
-13168	mol	CCC(C)OCC(CC)C=C
-13169	mol	CCCC(=O)C#CC(=C)C#C
-13170	mol	CCCC(=O)C#CC#CC#C
-13171	mol	CCCC(O)=C(C(C)C)C=C
-13172	mol	CCCC(O)=CC=CC(C)C
-13173	mol	CCCC(O)(CC)CC(C)C
-13174	mol	CCCC(O)C(CC)CCC
-13175	mol	CCCC(O)CC(C)C(C)C
-13176	mol	CCCC(OC(C)C)C(C)C
-13177	mol	CCCCOC(C)CCCC
-13178	mol	CCCCOC(C)(C)CCC
-13179	mol	CCCCOC(C)(CC)CC
-13180	mol	CCCCOC(C)C(C)CC
-13181	mol	CCCCOC(C)C(C)C=C
-13182	mol	CCCCOC(C)CC(C)C
-13183	mol	CCCCOC(CC)CCC
-13184	mol	CCCCOC(CC)C(C)C
-13185	mol	CCCCOC(CCCC)=C
-13186	mol	CCCCOC#CCCCC
-13187	mol	CCCCOCC(C)CCC
-13188	mol	CCCCOCC(C)C(C)C
-13189	mol	CC(C)COC(CC)CC(C1CCCCC1)C=O
-13190	mol	CCCCOCCCCCCC
-13191	mol	CC(C)COC(C)(C)CC(C)C
-13192	mol	CCC(C)OC(C)(C)C(C)CC
-13193	mol	CCC(C)OC(C)C(C)C(C)C
-13194	mol	CCC(C)OC(C)CCC(C)C
-13195	mol	CCC(C)OC(CC)(CC)CC
-13196	mol	CCC(C)OC(CC)C(C)CC
-13197	mol	CCC(C)OCC(C)(C)CCC
-13198	mol	CCC(C)OCC(C)C(C)CC
-13199	mol	CCC(C)OCC(CC)C(C)C
-13200	mol	CCCC(O)=C(CC(C)C)C=C
-13201	mol	CCCC(O)C(CCC=C)C=C
-13202	mol	CCCC(O)C(CCC)C(C)C
-13203	mol	CCCC(O)CCCC(C)CC
-13204	mol	CCCC(OC=C)C(CC)=CC
-13205	mol	CCCC(OC(C)C)C(C)CC
-13206	mol	CCCC(OC)(CC)CC(C)C
-13207	mol	CCCCOC(C)(C)CCCC
-13208	mol	CCCCOC(C)(CC)CCC
-13209	mol	CCCCOC(CC)(CC)CC
-13210	mol	CCCCOC(CC)CC(C)C
-13211	mol	CCCCOC(CCC)CCC
-13212	mol	CCCCOC(CCC)C(C)C
-13213	mol	CCCCOC(CCC)CC=C
-13214	mol	CCCCOCC(C)C(C)CC
-13215	mol	CCCCOCCC(C)CCC
-13216	mol	CC(C)COC(CC(CC)CC1C)C1C=O
-13217	mol	CC(C)COC(CC)(CC)C(C)C
-13218	mol	CCCC(O)CCCC(CC)CC
-13219	mol	CCC(C)OCCCC(CC)C(C)C
-13220	mol	CCCC(O)C(CC)C(CC)CCC
-13221	mol	CCCCOCCCC(CC)C(C)C
-13222	mol	CCCC(O)CCC(C)C(CC)CCC
-13223	mol	CC(C)COC(C(C)C)CC(C)C=O
-13224	mol	CC(C)COC(CC)(CC(C)C)C=O
-13225	mol	CCCC(O)C(CCC)C(CC)C=O
-13226	mol	CCCC(OCC(C)C)CC(C)C=O
-13227	mol	CC(C)COC(C(CC)CC)C=O
-13228	mol	CC(C)COC(CC)C(C)(C)C=O
-13229	mol	CC(C)COC(CC)CC(C)C=O
-13230	mol	CC(C)COCC(C(C)CC)C=O
-13231	mol	CC(C)COCC(C)(CCC)C=O
-13232	mol	CCCC(OCC(C)C)C(C)C=O
-13233	mol	CCCC(O)C(CC)(CCC)C(O)C=O
-13234	mol	CC(C)COC(CCCCCC(O)=O)=O
-13235	mol	CC(C)C(O)(C)CC(C)C(C)=O
-13236	mol	CC(C)COC(CC)(CC)C=O
-13237	mol	CCC(C)OC(C(C)CC)C=O
-13238	mol	CCC(C)OCC(C)(CC)C=O
-13239	mol	CCCC(=O)C#CC#CC#CO
-13240	mol	CCCC(O)(C(C)C(C)C)C=O
-13241	mol	CCCC(O)(C(C)CC)CC=O
-13242	mol	CCCC(O)(C)C(CCC)C=O
-13243	mol	CCCC(O)C(C)(CCC)C=O
-13244	mol	CCCC(O)C(C)C(CCC)=O
-13245	mol	CCCC(OC)(CC)C(CC)=O
-13246	mol	CCCCOC(C(C)(C)CC)=O
-13247	mol	CCCCOC(C(C)CC)C=O
-13248	mol	CCCCOC(C)(C)C(CC)=O
-13249	mol	CCCCOC(CC)(CC)C=O
-13250	mol	CC(C)(C)OC(C(C)(C)C)=O
-13251	mol	CC(C)C(=O)C(C(C)(C)C)=O
-13252	mol	CC(C)C(O)(C)CC(C)C=O
-13253	mol	CC(C)COC(C)(CC)C=O
-13254	mol	CC(C)COC(CC(C)C)=O
-13255	mol	CC(C)COCC(C)(C)C=O
-13256	mol	CC(C)COCCC(C)C=O
-13257	mol	CCC(C)OC(C(C)C)C=O
-13258	mol	CCC(C)OC(C(C)CC)=O
-13259	mol	CCC(C)OC(C)C(C)C=O
-13260	mol	CCC(C)OC(C)CCC=O
-13261	mol	CCC(C)OCC(C)(C)C=O
-13262	mol	CCCC(=O)C(C(C)(C)C)=O
-13263	mol	CCCC(O)(C(C)C)CC=O
-13264	mol	CCCC(O)(C(C)CC)C=O
-13265	mol	CCCC(O)(CC(C)C)C=O
-13266	mol	CCCC(O)C(C(C)C)C=O
-13267	mol	CCCC(O)C(CCC)C=O
-13268	mol	CCCC(OC(C)C(C)C)=O
-13269	mol	CCCC(OC(C)CC)C=O
-13270	mol	CCCCOC(C(C)(C)C)=O
-13271	mol	CCCCOC(C(C)CC)=O
-13272	mol	CCCCOC(C)(CC)C=O
-13273	mol	CCCCOC(C)C(C)C=O
-13274	mol	CCCCOC(CC(C)C)=O
-13275	mol	CCCCOC(CCCC)=O
-13276	mol	CCCCOCC(CC)C=O
-13277	mol	CCCCOCCC(C)CO
-13278	mol	CCCCOCCCCC=O
-13279	mol	CC(C)COC(CC)CC(O)C
-13280	mol	CCCC(O)CCCCC(O)C
-13281	mol	CCCCOCC(CC)C(O)C
-13282	mol	CCCC(O)C(CCC)C(O)C=O
-13283	mol	CCC(C)OC(C)CCC(O)=O
-13284	mol	CCC(C)OC(CC)CC(O)=O
-13285	mol	CCC(C)OC(CCC)C(O)=O
-13286	mol	CCCC(O)(C(C)CC)C(O)=O
-13287	mol	CCCC(OCCCCC=O)=O
-13288	mol	CCCCOC(C(C)C)C(O)=O
-13289	mol	CCCCOC(C)(CC)C(O)=O
-13290	mol	CCCCOCCCCC(O)=O
-13291	mol	CCCCOC(C)C(C)NC=O
-13292	mol	CC(C)C(=O)C=C=CC=O
-13293	mol	CC(C)C(O)(C)C(CC)=O
-13294	mol	CC(C)COC(C)(C)C=O
-13295	mol	CC(CC=O)(CC=C)C=O
-13296	mol	CC(CC=O)C(C)(C)C=O
-13297	mol	CCC(C(O)C)C(C)C=O
-13298	mol	CCC(C)OC(C(C)C)=O
-13299	mol	CCC(C)OC(C)(C)C=O
-13300	mol	CCC(C)OC(C)CC=O
-13301	mol	CCC(C)OC(CC)C=O
-13302	mol	CCC(C)OC(CC#C)=O
-13303	mol	CCC(C)OC(CCC)=O
-13304	mol	CCC(C)OCC(C)C=O
-13305	mol	CCC#COC(C(C)C)=O
-13306	mol	CCCC(=O)C(C(C)C)=O
-13307	mol	CCCC(=O)C(CCC)=O
-13308	mol	CCCC(O)=C(C#C)C=O
-13309	mol	CCCC(O)(C(C)C)C=O
-13310	mol	CCCC(O)(CCC)C=O
-13311	mol	CCCC(O)C(C)CC=O
-13312	mol	CCCC(O)C(CC)C=O
-13313	mol	CCCC(O)CC(C)C=O
-13314	mol	CCCC(O)CCCC=O
-13315	mol	CCCC(OC(C)C)C=O
-13316	mol	CCCC(OC)(CC)C=O
-13317	mol	CCCC(OC#CCC)=O
-13318	mol	CCCCOC(C)CCO
-13319	mol	CCCCOC(C)(C)C=O
-13320	mol	CCCCOC(C)CC=O
-13321	mol	CCCCOC(CC)C=O
-13322	mol	CCCCOC(CCC)=O
-13323	mol	CCCCOCC(C)CO
-13324	mol	CCC(C)OC(C)C(C)OC
-13325	mol	CCC(C)OC(CC)C(O)C
-13326	mol	CCC(C)OCC(C)(C)OC
-13327	mol	CCCCOC(C)(C)C(O)C
-13328	mol	CCCC(O)=C(C(C)CO)C=C
-13329	mol	CCCCOC(C)(CC)OCC
-13330	mol	CCCCOC(C)C(C)OCC
-13331	mol	CCCCOCC(C)COCC
-13332	mol	CCCCOCC(C)(C)OCC
-13333	mol	CCCCOCC(C)C(O)CC
-13334	mol	CCCCOCC(CC)OCC
-13335	mol	CC(C)C(O)(CCCC=O)C=O
-13336	mol	CCC(C=O)C(CC)(C=O)C=O
-13337	mol	CCC(C)OC(CC)(C=O)C=O
-13338	mol	CCC(C)OCC(C)(C)OC=O
-13339	mol	CCCC(OC)(CC)C(=O)C=O
-13340	mol	CCCCOC(CC)(C=O)C=O
-13341	mol	CC(C)C(O)(CCCC=O)C(O)=O
-13342	mol	CC(C)COC(CC)(C=O)C(O)=O
-13343	mol	CC(C)C(=O)C=C=CC(O)=O
-13344	mol	CC(C)C(O)C(C)(C)C(O)=O
-13345	mol	CC(CC=O)CC#CC(O)=O
-13346	mol	CCC(C)OC(C)CC(O)=O
-13347	mol	CCCC(O)(C(C)C)C(O)=O
-13348	mol	CCCC(OC(C(C)C)=O)=O
-13349	mol	CCCC(OC(C)C)C(O)=O
-13350	mol	CCCCOC(C)(C)C(O)=O
-13351	mol	CCCCOC(CC)C(O)=O
-13352	mol	CC(C)C(O)(CCCC(O)=O)C(O)=O
-13353	mol	CCC(C(O)(C)C(C)C(O)=O)=O
-13354	mol	CCC(C)OC(C)C(N)C
-13355	mol	CCCCOC(C)C(N)C
-13356	mol	CCCCOCCC(N)C
-13357	mol	CCC(C)OC(CC(N)CC)=O
-13358	mol	C#CC#COC#CC=O
-13359	mol	CC(C)(C)OC(CC)=O
-13360	mol	CC(C)C(O)(C)C(C)=O
-13361	mol	CC(C)C(O)(C#C)C=O
-13362	mol	CC(C)C(O)C(CC)=O
-13363	mol	CC(C)C(OC(C)=C)=O
-13364	mol	CC(C)C(OC#CC)=O
-13365	mol	CC(C)COC(=C)C=O
-13366	mol	CC(C)COC(C)C=O
-13367	mol	CC(CC=O)(C#C)C=O
-13368	mol	CC(CC=O)C(C)C=O
-13369	mol	CCC=C(O)C(C)C=O
-13370	mol	CCC(C=O)C(CC)=O
-13371	mol	CCC(C)OC(C)C=O
-13372	mol	CCC(C)OC(CC)=O
-13373	mol	CCCC(=O)C=CC=O
-13374	mol	CCCC(=O)C(CC)=O
-13375	mol	CCCC(=O)C#CC=O
-13376	mol	CCCC(O)(C)C(C)=O
-13377	mol	CCCC(O)(C)CC=O
-13378	mol	CCCC(O)(C#C)C=O
-13379	mol	CCCC(O)(CC)C=O
-13380	mol	CCCC(O)C(C)CO
-13381	mol	CCCC(O)C(C)C=O
-13382	mol	CCCC(O)C(CC)=O
-13383	mol	CCCC(O)CCC=O
-13384	mol	CCCCOC(C)CO
-13385	mol	CCCCOC(CC)=O
-13386	mol	CCCCOC#CC=O
-13387	mol	CCC(C)OC(C)(C)OC
-13388	mol	CCC(C)OC(C)C(O)C
-13389	mol	CCC(C)OCCC(O)C
-13390	mol	CCCCOC(C)COC
-13391	mol	CCCCOC(C)C(O)C
-13392	mol	CCCCOCCC(O)C
-13393	mol	CCC(C(O)CCC=O)c1ccccc1
-13394	mol	C#CCC(O)C#CC(=O)C#C
-13395	mol	CC(C)(C(OC#C)C=O)C#C
-13396	mol	CCCCOC(C)(C)OCC
-13397	mol	CCCCOC(C)C(O)CC
-13398	mol	CCCCOCCC(O)CC
-13399	mol	CCCC(O)(CCC)OC(C)C
-13400	mol	CCCC(OC(C)C)OC(C)C
-13401	mol	CCCCOC(C)COC(C)C
-13402	mol	CCCCOCC(C)OCCC
-13403	mol	CCCCOCC(CO)C(C)C
-13404	mol	CC(C)C(OC#C)C(=O)C=O
-13405	mol	CC(CC(O)(C)C(C)=O)C=O
-13406	mol	CCC(C(O)(C)C(C)=O)C=O
-13407	mol	CCCC(O)CC(C=O)C=O
-13408	mol	CCCC(O)CCC(O)C=O
-13409	mol	CCCC(OC(C)C)OC=O
-13410	mol	CCCC(OC(C)CO)C=O
-13411	mol	CCCCOC(C)(C=O)C=O
-13412	mol	CCCCOCC(C)OC=O
-13413	mol	CCC(C=O)C(C)(C=O)C(O)=O
-13414	mol	CCC(C)OCC(C)OC(O)=O
-13415	mol	CCCC(OC(C)C)OC(O)=O
-13416	mol	CCCC(OCC(C)OC=O)=O
-13417	mol	CCCCOC(C)(CO)C(O)=O
-13418	mol	CC(C)C(O)(C)CC(O)=O
-13419	mol	CC(C)COC#CC(O)=O
-13420	mol	CC(C#C)OC#CC(O)=O
-13421	mol	CC(CC=O)(C=C)C(O)=O
-13422	mol	CCCC(=O)C(=C)C(O)=O
-13423	mol	CCCC(O)(CC)C(O)=O
-13424	mol	CCCCOC(C)C(O)=O
-13425	mol	CCCCOC(CC=O)=O
-13426	mol	CCCCOC#CC(O)=O
-13427	mol	CCCC(O)(C(C)C(O)=O)C=O
-13428	mol	CCC(C(O)C(C)C(O)=O)=O
-13429	mol	CCCCOC(CC(O)=O)=O
-13430	mol	CC(C)C(O)(C)Cl
-13431	mol	CCCC(O)(C(Cl)C#N)C=C=C
-13432	mol	CC(C)COC(Cl)=O
-13433	mol	CCCC(O)(C)CN
-13434	mol	CCCCOC(CN)CC
-13435	mol	CCCC(O)(CC#N)C=C=C
-13436	mol	CCC(C)OC(C(N)CC)=O
-13437	mol	CCC(C=O)C(C(N)C)C(=O)N
-13438	mol	CC(C)COC(C(N)(N)CC)=O
-13439	mol	C=C=C(C=O)C#CN(=O)=O
-13440	mol	CC(C)C(=O)C(C)=O
-13441	mol	CC(C)C(O)=CC=O
-13442	mol	CC(C)C(O)(C)C=O
-13443	mol	CC(C)C(O)CC=O
-13444	mol	CC(C)C(OC=C)=O
-13445	mol	CC(C)C(OC#C)=O
-13446	mol	CC(C)COC=CO
-13447	mol	CC(C)COC(C)=O
-13448	mol	CC(CC=O)C(C)=O
-13449	mol	CC(CC=O)CC=O
-13450	mol	CCC(=C(O)C)C=O
-13451	mol	CCC(C=O)=CC=O
-13452	mol	CCC(C=O)C(C)=O
-13453	mol	CCC(C(O)C)C=O
-13454	mol	CCC(C)OC(C)=O
-13455	mol	CCC(C)OCC=O
-13456	mol	CCC#COC(C)=O
-13457	mol	CCCC(=O)C(C)=O
-13458	mol	CCCC(O)=CC=O
-13459	mol	CCCC(O)(C)CO
-13460	mol	CCCC(O)(C)C=O
-13461	mol	CCCC(O)C=CO
-13462	mol	CCCC(O)C(C)=O
-13463	mol	CCCC(O)CC=O
-13464	mol	CCCC(OC=C)=O
-13465	mol	CCCC(OC)C=O
-13466	mol	CCCC(OC#C)=O
-13467	mol	CCCCOC(C)=O
-13468	mol	CCCCOC#CO
-13469	mol	CCCCOCC=O
-13470	mol	CCC(C)OCC(O)C
-13471	mol	CCCCOCC(O)C
-13472	mol	CC(C)C(O)C#COC#C
-13473	mol	CC(C)COC(=CO)C=C
-13474	mol	CCC(C)OC(CO)CC
-13475	mol	CCC(C)OCC(O)(C)C
-13476	mol	CCCC(OC#C)OC#C
-13477	mol	CCCCOC(C)OCC
-13478	mol	CCCCOC(CO)CC
-13479	mol	CCCCOC(CO)C#C
-13480	mol	CCCCOCC(O)CC
-13481	mol	CCC(C(O)C)(C=O)Cc1ccccc1
-13482	mol	CCCC(O)(C)C(O)C(C)C
-13483	mol	CCCC(O)(CC)OC(C)C
-13484	mol	CCCC(O)(CC)OC(C)CC
-13485	mol	CCCC(OC(CO)CC)C#C
-13486	mol	CCCCOCC(O)CCCC
-13487	mol	CCCCOCC(O)(C)C(C)C
-13488	mol	CCC(C=O)=C(C=O)C(C)=O
-13489	mol	CC(C)C(O)(CC=O)C=O
-13490	mol	CC(C)COC#COC=O
-13491	mol	CCCC(=O)C#COC=O
-13492	mol	CCCC(O)(C)C(=O)C=O
-13493	mol	CCCC(O)(C)C(O)C=O
-13494	mol	CCCC(O)(CC=O)C=O
-13495	mol	CCCC(O)C#COC=O
-13496	mol	CCCC(O)CC(O)C=O
-13497	mol	CCCC(O)CCOC=O
-13498	mol	CCCCOC(C=O)C=O
-13499	mol	CCCCOC(C)OC=O
-13500	mol	CC(C)C(O)(C)C(O)C(O)=O
-13501	mol	CC(C)C(OC#COC=O)=O
-13502	mol	CCC(C(O)(C)C=O)C(O)=O
-13503	mol	CCCC(OC)(C=O)C(O)=O
-13504	mol	CCCC(OC#COC=O)=O
-13505	mol	CCCCOC(C(O)C=O)=O
-13506	mol	CCCCOC(C(O)C(O)=O)=O
-13507	mol	CC(C)C(O)(C)C(O)=O
-13508	mol	CC(C)COCC(O)=O
-13509	mol	CC(CC=O)CC(O)=O
-13510	mol	CCC(=C(O)C)C(O)=O
-13511	mol	CCC(C(O)(C)C=O)=O
-13512	mol	CCC(C)OCC(O)=O
-13513	mol	CCCC(O)(C)C(O)=O
-13514	mol	CCCC(OC(C)=O)=O
-13515	mol	CCCC(OC)C(O)=O
-13516	mol	CCCC(OC#CO)=O
-13517	mol	CCCCOC(CO)=O
-13518	mol	CCC(C)OCC(O)(O)C
-13519	mol	CC(CC=O)(CC(O)=O)C#N
-13520	mol	CC(CC=O)(CC(O)=O)C=O
-13521	mol	CCCC(O)C(F)(F)C(F)(F)F
-13522	mol	CC(C)C(=O)C(F)=O
-13523	mol	CCCC(=O)C(F)=O
-13524	mol	CCCC(O)(Cl)C(C#N)C=C=C
-13525	mol	CC(C)C(=O)C#N
-13526	mol	CCCC(O)(CN)C=C
-13527	mol	CCCC(O)(C#N)CC=C=C
-13528	mol	CCCC(O)CNC=O
-13529	mol	CCCC(OC(N)(N)C1CCCCC1)=O
-13530	mol	CCCC(OC(N)(N)C(O)=O)=O
-13531	mol	CCCC(O)CN(N)N
-13532	mol	CCCC(OC#N)=O
-13533	mol	C#CC(C=O)C=O
-13534	mol	C#CCCOC=O
-13535	mol	CC=CC(O)=CO
-13536	mol	CC(C)(C=O)C=O
-13537	mol	CC(C)(C)OC=O
-13538	mol	CC(C)C(=O)C=O
-13539	mol	CC(C)C(O)=CO
-13540	mol	CC(C)C(O)C=O
-13541	mol	CC(C)COC=O
-13542	mol	CC(CC=O)C=O
-13543	mol	CCC=C(O)C=O
-13544	mol	CCC=COC=O
-13545	mol	CCC(=CO)C=O
-13546	mol	CCC(C=O)C=O
-13547	mol	CCC(C(O)C)=O
-13548	mol	CCC(C)OC=O
-13549	mol	CCC#COC=O
-13550	mol	CCCC(=O)C=O
-13551	mol	CCCC(O)CO
-13552	mol	CCCC(O)=CO
-13553	mol	CCCC(O)C=O
-13554	mol	CCCCOC=O
-13555	mol	CC(C)C(O)=C(O)C
-13556	mol	CC(C)C(OC=O)=C
-13557	mol	CCC(C)OC(O)C
-13558	mol	CCCC(O)=C(O)C
-13559	mol	CCCC(O)(C)OC
-13560	mol	CCCCOC(O)C
-13561	mol	CCCC(OC=O)c1ccccc1
-13562	mol	CCC(C)(OC=O)C1CC=CO1
-13563	mol	CCCC(OC=O)C1CC=CO1
-13564	mol	CCCCOC(=O)C1=CCCO1
-13565	mol	CC(C)C(OC=O)C1C=COC1
-13566	mol	CC(CCOC=O)C1CCOC1
-13567	mol	CC(C)C(O)(C=O)c1cocc1
-13568	mol	CC(C)C(OC=O)c1cocc1
-13569	mol	CC(C)COC(=O)c1cocc1
-13570	mol	CC(CC=O)C(O)c1cocc1
-13571	mol	CC(CCOC=O)c1cocc1
-13572	mol	CCC(COC=O)c1cocc1
-13573	mol	CCCC(O)(C=O)c1cocc1
-13574	mol	CCCC(OC=O)c1cocc1
-13575	mol	CCC(COC=O)C1=COCC1
-13576	mol	CCCC(OC=O)C1=COCC1
-13577	mol	CC(C)COC(=O)c1occc1
-13578	mol	CCCC(OC=O)c1occc1
-13579	mol	CCCCOC(=O)c1occc1
-13580	mol	C=CC#COC(=O)C#C
-13581	mol	C#CC(COC=O)C#C
-13582	mol	C#CC#COC(=O)C=C
-13583	mol	C#CC#COC(=O)C#C
-13584	mol	C#CCC(OC=O)C#C
-13585	mol	CC(C)(C)OC(=O)C=C
-13586	mol	CC(C)(COC=O)C#C
-13587	mol	CC(C)C(OC=O)=C=C
-13588	mol	CC(C)C(OC=O)C=C
-13589	mol	CC(C)COC(=O)C=C
-13590	mol	CC(C)COC(=O)C#C
-13591	mol	CC(CCOC=O)C=C
-13592	mol	CCC(=C)OC(=O)C#C
-13593	mol	CCC(=COC=O)C#C
-13594	mol	CCC(C=O)(C=O)C=C
-13595	mol	CCC(C)(OC=O)C#C
-13596	mol	CCC(C)OC(=O)C=C
-13597	mol	CCC(C)OC(=O)C#C
-13598	mol	CCC(C)OC(O)(C)C
-13599	mol	CCC#COC(=O)C=C
-13600	mol	CCC#COC(=O)C#C
-13601	mol	CCCC(O)=C(O)C=C
-13602	mol	CCCC(O)(C=O)C=C
-13603	mol	CCCC(O)C(O)CC
-13604	mol	CCCC(OC=O)C=C
-13605	mol	CCCC(OC=O)C#C
-13606	mol	CCCCOC(=O)C=C
-13607	mol	CCCCOC(=O)C#C
-13608	mol	CCCCOC(O)CC
-13609	mol	CCCCOC(O)(C)C
-13610	mol	CC(C)(C)OC(=O)C=C=C
-13611	mol	CC(C)C(=O)C(=O)C#CC
-13612	mol	CC(C)C(O)=C(O)C(C)C
-13613	mol	CC(C)COC(=O)C=C=C
-13614	mol	CCC(C)OC(=O)C=C=C
-13615	mol	CCC(C)OC(O)(C)CC
-13616	mol	CCCC(O)(CO)C(C)C
-13617	mol	CCCC(O)C(O)CCC
-13618	mol	CCCC(O)COC(C)C
-13619	mol	CCCC(OC=O)=CC=C
-13620	mol	CCCCOC(O)CCC
-13621	mol	CCCCOC(O)(C)CC
-13622	mol	CCCCOC(O)C(C)C
-13623	mol	CCC(C)OC(=O)C#CC#C
-13624	mol	CCC(C)OC(O)(C)C(C)C
-13625	mol	CCC(C)OC(O)(CC)CC
-13626	mol	CCC(C)OC(O)C(C)CC
-13627	mol	CCC(COC=O)C(=C)C#C
-13628	mol	CCCC(O)=C(O)C(=C)C=C
-13629	mol	CCCC(O)C(O)(C)CCC
-13630	mol	CCCC(O)C(OC)CCC
-13631	mol	CCCC(O)COC(C)CC
-13632	mol	CCCC(OC=O)C(=C)C#C
-13633	mol	CCCC(OC=O)C#CC#C
-13634	mol	CCCCOC(=O)C#CCC
-13635	mol	CCCCOC(O)(CC)CC
-13636	mol	CCCCOC(O)CC(C)C
-13637	mol	CCCCOCOC(C)CC
-13638	mol	CC(C(COC=O)CC#C)C#C
-13639	mol	CCCC(O)(C(O)(C)C=C)C=C
-13640	mol	CCCC(OC=O)=CC(C)CC
-13641	mol	CCCCOC(O)CCCCC
-13642	mol	CCCCOC(OCC)CCC
-13643	mol	CCCC(OC=O)C(CCC)C=O
-13644	mol	CCC(C)OC(OC(C)CC)=O
-13645	mol	CCCC(O)(C(O)(C)CC)C=O
-13646	mol	CCCC(O)C(O)(C(C)C)C=O
-13647	mol	CCCC(O)COC(CCC)=O
-13648	mol	CCCCOC(O)(CCC)C=O
-13649	mol	CCCCOC(O)CCCC=O
-13650	mol	CCCCOC(OC(C)CC)=O
-13651	mol	CCC(C=O)(C=O)C(CC)=O
-13652	mol	CCC(C)OC(=O)C=CC=O
-13653	mol	CCCC(OC=O)=C(C)C=O
-13654	mol	CCC(C=O)(C=O)C(C)=O
-13655	mol	CCC(COC=O)C(C)=O
-13656	mol	CCC#COC(OC#C)=O
-13657	mol	CCCC(=O)C(OC#C)=O
-13658	mol	CCCC(O)(C(O)C)C=O
-13659	mol	CCCC(O)C(O)CC=O
-13660	mol	CCCCOC(O)C(C)=O
-13661	mol	CCCCOC(OCC)=O
-13662	mol	CCCC(O)C(O)(CC=O)C=O
-13663	mol	CC(C)C(OC=O)=CC(O)=O
-13664	mol	CC(C)C(OC(OC=C)=O)=O
-13665	mol	CC(C)C(OC(OC#C)=O)=O
-13666	mol	CC(CC(O)C=O)CC(O)=O
-13667	mol	C=CC=COC(=O)C=O
-13668	mol	C#CC#COC(=O)C=O
-13669	mol	CC=C(C)OC(=O)C=O
-13670	mol	CC(C(C=O)C=O)C=O
-13671	mol	CC(C)(C=O)C(=O)C=O
-13672	mol	CC(C)(COC=O)C=O
-13673	mol	CC(C)C(O)(C)OC=O
-13674	mol	CC(C)C(O)C(=O)C=O
-13675	mol	CC(C)C(OC=O)C=O
-13676	mol	CC(C)COC(=O)C=O
-13677	mol	CC(CC=O)(C=O)C=O
-13678	mol	CC(CCOC=O)C=O
-13679	mol	CCC(C=O)(C=O)C=O
-13680	mol	CCC(C=O)C(=O)C=O
-13681	mol	CCC(C(O)C=O)C=O
-13682	mol	CCC(C)(OC=O)C=O
-13683	mol	CCC(C)OC(=O)C=O
-13684	mol	CCC(C)OC(OC)=O
-13685	mol	CCC(COC=O)C=O
-13686	mol	CCC#COC(=O)C=O
-13687	mol	CCCC(O)(C=O)C=O
-13688	mol	CCCC(O)(C)OC=O
-13689	mol	CCCC(O)C(=O)C=O
-13690	mol	CCCC(O)C(O)C=O
-13691	mol	CCCC(O)COC=O
-13692	mol	CCCC(OC=O)C=O
-13693	mol	CCCCOC(=O)C=O
-13694	mol	CCCCOC(O)C=O
-13695	mol	CCCCOCOC=O
-13696	mol	CCC(C)OC(O)C(O)C
-13697	mol	CCCCOC(O)C(O)C
-13698	mol	CC(C)C(=O)C(OC=O)=C=C
-13699	mol	CCC(C)OC(=O)C(O)=CC=O
-13700	mol	CCC(COC=O)C(=O)C=O
-13701	mol	CCCC(O)=C(OC=O)C=O
-13702	mol	CCCC(O)C(O)(CO)C=O
-13703	mol	CCCC(OC=O)=C(O)C=O
-13704	mol	CCCC(OC=O)=COC=O
-13705	mol	CCCCOC(OC=O)C=O
-13706	mol	CC(CC=O)COC(=O)C(O)=O
-13707	mol	CCCCOC(=O)C(OC(O)=O)=O
-13708	mol	CCC(C)OC(=O)C(ON)=O
-13709	mol	CC(C)(C)OC(=O)C(O)=O
-13710	mol	CC(C)(COC=O)C(O)=O
-13711	mol	CC(C)C(OC=O)C(O)=O
-13712	mol	CC(C)COC(=O)C(O)=O
-13713	mol	CC(CCOC=O)C(O)=O
-13714	mol	CCC(C=O)(C=O)C(O)=O
-13715	mol	CCC(C)OC(=O)C(O)=O
-13716	mol	CCC(C)OC(OC=O)=O
-13717	mol	CCC#COC(=O)C(O)=O
-13718	mol	CCC#COC(OC=O)=O
-13719	mol	CCCC(=O)C(OC=O)=O
-13720	mol	CCCC(O)(C=O)C(O)=O
-13721	mol	CCCC(OC=O)C(O)=O
-13722	mol	CCCC(OC(OC)=O)=O
-13723	mol	CCCCOC(=O)C(O)=O
-13724	mol	CCCCOC(OC=O)=O
-13725	mol	CC(CCOC(=O)C(O)=O)C=O
-13726	mol	CC(C)C(OC(OC=O)=O)=O
-13727	mol	CCCC(OC(OC=O)=O)=O
-13728	mol	CC(CC=O)C(=O)N
-13729	mol	CCC(C=O)C(=O)N
-13730	mol	CCC(C)OC(=O)N
-13731	mol	CCCC(O)C(=O)N
-13732	mol	CCCCOC(=O)N
-13733	mol	CCC(C)OC(=O)NC(C)CC
-13734	mol	CC(C)C(OC=O)NC=O
-13735	mol	CCCC(OC=O)NC=O
-13736	mol	CCC(C)OC(=O)NNC=O
-13737	mol	CCCCOC(=O)NNC=O
-13738	mol	CCCC(O)(C=O)N(N)C(=O)N
-13739	mol	CCC(C)OC(ON)=O
-13740	mol	CCCCOC(ON)=O
-13741	mol	CC(C)(C=O)C(O)=O
-13742	mol	CC(C)C(=O)C(O)=O
-13743	mol	CC(C)C(O)C(O)=O
-13744	mol	CC(C)C(OC=O)=O
-13745	mol	CC(C)COC(O)=O
-13746	mol	CC(CC=O)C(O)=O
-13747	mol	CCC=C(O)C(O)=O
-13748	mol	CCC(=CO)C(O)=O
-13749	mol	CCC(C=O)C(O)=O
-13750	mol	CCC(C(O)C=O)=O
-13751	mol	CCC(C)OC(O)=O
-13752	mol	CCCC(=O)C(O)=O
-13753	mol	CCCC(O)C(O)=O
-13754	mol	CCCC(OC=O)=O
-13755	mol	CCCCOC(O)=O
-13756	mol	CC(CC(O)C(O)=O)C#C
-13757	mol	CCCC(O)(C(O)=O)C(CC)=O
-13758	mol	C#CC(COC=O)OC=O
-13759	mol	CC(C)C(OC=O)OC=O
-13760	mol	CC(CCOC=O)OC=O
-13761	mol	CCC=C(OC=O)OC=O
-13762	mol	CCC(COC=O)OC=O
-13763	mol	CCC(COC(O)=O)C=O
-13764	mol	CCCC(OC=O)OC=O
-13765	mol	CCCC(OC(O)=O)=C(O)C=O
-13766	mol	CCC(COC=O)OC(O)=O
-13767	mol	CCCC(O)(C(O)=O)C(O)=O
-13768	mol	CCC(C)OC(=O)ONC=O
-13769	mol	CC(C)C(OC(O)=O)=O
-13770	mol	CCCC(OC(O)=O)=O
-13771	mol	CCCC(OF)=O
-13772	mol	C=C=CC(=O)N
-13773	mol	CC(C)C(=O)N
-13774	mol	CCCC(=O)N
-13775	mol	CCCC(O)N
-13776	mol	CCCC(O)NC
-13777	mol	CCCCONc1ccccc1
-13778	mol	CCCCONC1CCCCC1
-13779	mol	CCC(C)ONC1CCCCC1
-13780	mol	CCCC(O)(N)C1CCCCC1
-13781	mol	CC(C)(C=O)NC=C
-13782	mol	CCCC(ON)CC
-13783	mol	CCCC(=O)NC(C)C
-13784	mol	CCC(C)ONC(C)CC
-13785	mol	CCC(C)ON(C(C)CC)C=O
-13786	mol	CCC(C)ON(C(C)C)C(O)=O
-13787	mol	CCC(C)ON(CC)N
-13788	mol	CCC(C=O)N(C)C(O)=O
-13789	mol	CCC(C(=O)N)CN(N)C(=O)N
-13790	mol	CC(C)C(=O)NC=O
-13791	mol	CCC(C=O)NC=O
-13792	mol	CCC(C)ONC=O
-13793	mol	CCCC(O)(N)C=O
-13794	mol	CCCC(O)NC=O
-13795	mol	CCCC(ON)C=O
-13796	mol	CCCCONC=O
-13797	mol	CCC(C=O)(NC=O)N(C)C(O)=O
-13798	mol	CCCCONN
-13799	mol	CCC(C)ONN
-13800	mol	CCCC(=O)NN
-13801	mol	CCC(C)ONNC=O
-13802	mol	CCC(C=O)(NN)C(=O)N(O)N
-13803	mol	CCC(C=O)(NN)NC(=O)C=O
-13804	mol	CCC(C=O)(NN)N(N)C(=O)C=O
-13805	mol	CCC(C=O)(NN)N(N)C(O)=O
-13806	mol	CCCC(ON)=O
-13807	mol	CCC(C(ON)=O)CNC=O
-13808	mol	CCCC(=O)NOC=O
-13809	mol	CCCC(=O)NOC(O)=O
-13810	mol	CC(C)C(=O)N(O)N
-13811	mol	C=C=C(C=O)N(=O)=O
-13812	mol	CC=CC(O)=O
-13813	mol	CC(C)C(O)=O
-13814	mol	CC(CC=O)=O
-13815	mol	CC#CC(O)=O
-13816	mol	CCC=C(O)O
-13817	mol	CCCC(O)O
-13818	mol	CCCC(O)=O
-13819	mol	CCCC(O)(O)C
-13820	mol	CCc(c(O)oc1C)c1O
-13821	mol	CC(C)(C(O)=O)c1ccccc1
-13822	mol	CC(C)C(=O)Oc1ccccc1
-13823	mol	CC(CC=O)Oc1ccccc1
-13824	mol	CC(CC(O)=O)c1ccccc1
-13825	mol	CCC(C=O)Oc1ccccc1
-13826	mol	CCC(C(O)=O)c1ccccc1
-13827	mol	CCCC(=O)Oc1ccccc1
-13828	mol	CCCC(O)Oc1ccccc1
-13829	mol	CCCC(O)(O)c1ccccc1
-13830	mol	CCCC(O)OC1CCCCC1
-13831	mol	CC(C)C(=O)Oc1ccccn1
-13832	mol	CC(CC(O)=O)c1ccccn1
-13833	mol	CC=C(C(O)=O)C1=CCCO1
-13834	mol	CCC(C(O)O)C1CC=CO1
-13835	mol	CCCC(O)OC1CCCO1
-13836	mol	CC(CC(O)=O)c1ccncc1
-13837	mol	CC(C)(C(O)=O)c1cocc1
-13838	mol	CC(CC(O)=O)c1cocc1
-13839	mol	CCC(C(O)=O)c1cocc1
-13840	mol	CCCC(=O)Oc1cocc1
-13841	mol	CC(C)C(=O)Oc1occc1
-13842	mol	CC(CC(O)=O)c1occc1
-13843	mol	CCC(C(O)=O)c1occc1
-13844	mol	CCCC(=O)Oc1occc1
-13845	mol	CC(C)C(O)OC#C
-13846	mol	CC(C)COOC#C
-13847	mol	CC(CC(O)=O)C#C
-13848	mol	CCC(C)OOC#C
-13849	mol	CCCC(O)(O)CC
-13850	mol	CCCC(O)(O)C=C
-13851	mol	CCCCOOC#C
-13852	mol	CCC(C(O)=O)Cc1cocc1
-13853	mol	CCC(C(O)=O)=CC#C
-13854	mol	CCC(C(O)O)C(C)C
-13855	mol	CCCC(O)(O)CCC
-13856	mol	CCCC(O)(O)C(C)C
-13857	mol	CCCC(O)OC(C)C
-13858	mol	C=CCC(=O)OC#CC#C
-13859	mol	CC(C)C(=O)OC#CC=C
-13860	mol	CC(CC(O)=O)C#CC#C
-13861	mol	CCC(C(O)=O)C#CC#C
-13862	mol	CCC(C(O)(O)C=C)C=C
-13863	mol	CCCC(=O)OC#CC=C
-13864	mol	CCCC(=O)OC#CC#C
-13865	mol	CCCC(O)(O)CC(C)C
-13866	mol	CCCC(OOC#C)C=C
-13867	mol	CCCC(OOC#C)C#C
-13868	mol	CCC(C(O)=O)c(ccc1C)cc1C=O
-13869	mol	CC(C)C(=O)OC#CC=CC
-13870	mol	CC(CC(O)=O)C(C#C)C#C
-13871	mol	CC(CC(O)=O)CC#CC#C
-13872	mol	CCC(C(O)=O)=C(C=C)C=C
-13873	mol	CCCC(=O)OC=C=CC=C
-13874	mol	CCCC(O)(O)CC(C)CC
-13875	mol	CCC(C(O)=O)=C(C)C#CC=C
-13876	mol	CCCC(O)(O)CCCC(C)C
-13877	mol	CCCC(O)(OC(C)C)C(C)C
-13878	mol	CCCC(O)OC(C(C)CC)=O
-13879	mol	CCCC(O)(OC(C)C)C=O
-13880	mol	CCC(C(O)=O)C(CC)=O
-13881	mol	CCCC(=O)OC=CC(=O)N
-13882	mol	CC(CC(O)=O)(C=C)C(O)=O
-13883	mol	CC(CC(O)=O)(C#C)C(O)=O
-13884	mol	CC(C)(C(O)=O)C(C)=O
-13885	mol	CC(CC(O)=O)C(C)=O
-13886	mol	CCC(C(O)=O)=CC=O
-13887	mol	CCCC(OOC#C)=O
-13888	mol	CC(CC(O)=O)C#COC#C
-13889	mol	CC(CC(O)=O)CC(O)=O
-13890	mol	CCC(C(O)=O)=CC(O)=O
-13891	mol	CC(CC(O)=O)C#N
-13892	mol	CCC(C(O)=O)CNC=O
-13893	mol	CC(CC(O)=O)CNN
-13894	mol	CC(CC(O)=O)C(N)NC=O
-13895	mol	CC(C)C(O)OC=O
-13896	mol	CC(C)COOC=O
-13897	mol	CC(CC(O)=O)C=O
-13898	mol	CCC=C(O)OC=O
-13899	mol	CCC(=C(O)O)C=O
-13900	mol	CCC(C(O)(O)C)=O
-13901	mol	CCCC(O)(O)C=O
-13902	mol	CCCC(O)OC=O
-13903	mol	CCCCOOC=O
-13904	mol	CCC(C(O)=O)=C(O)C=C
-13905	mol	CCCC(O)(OC=O)C=C
-13906	mol	CCCC(O)(O)C(O)C(C)CC
-13907	mol	CCC(C(O)OC=O)CN(=O)=O
-13908	mol	CC(CC(O)=O)(C=O)C=O
-13909	mol	CCCC(=O)OC(O)=C(O)C=O
-13910	mol	CC(CC=O)OC(=O)C(O)=O
-13911	mol	CC=C(C(O)=O)C(O)=O
-13912	mol	CC(C)(C(O)=O)C(O)=O
-13913	mol	CC(C)C(OOC=O)=O
-13914	mol	CC(CC=O)OC(O)=O
-13915	mol	CC(CC(O)=O)C(O)=O
-13916	mol	CCC(=C(O)O)C(O)=O
-13917	mol	CCC(C(O)=O)C(O)=O
-13918	mol	CCC(C(O)(O)C=O)=O
-13919	mol	CCC(C(O)O)C(O)=O
-13920	mol	CCCC(O)(O)C(O)=O
-13921	mol	CCCCOOC(O)=O
-13922	mol	CC(C)C(O)(OC=O)OC=O
-13923	mol	CCCC(O)(OC=O)OC=O
-13924	mol	CC(C(C(O)=O)C(O)=O)C(O)=O
-13925	mol	CC(C)C(=O)ONC=C
-13926	mol	CCC(C(O)(O)N)C(O)=O
-13927	mol	CCCC(O)ONN
-13928	mol	CC(C)C(=O)ON(=O)=O
-13929	mol	CCCC(=O)ON(=O)=O
-13930	mol	CCCC(OO)=O
-13931	mol	CCCC(O)(O)OC(C)C
-13932	mol	CCCCOOOC(OC=O)=O
-13933	mol	CC(CC(O)=O)OC(=O)N
-13934	mol	CC(C)C[Si](Br)(C(C)C)C=O
-13935	mol	CCCC[Si](F)(Br)CCC
-13936	mol	CC(C)C[Si](F)(Br)C=O
-13937	mol	CC(C)C[Si](F)(C=C)C=C=C
-13938	mol	CCCC[Si](F)(CC)CCC
-13939	mol	CCCC[Si](F)(CC)C=C=C
-13940	mol	CCCC[Si](F)(CCC)C=C
-13941	mol	CC(C)C[Si](F)(C=C=C)C=C=C
-13942	mol	CCCC[Si](F)(C=C)C(O)=O
-13943	mol	CC(C)C[Si](F)(Cl)C#N
-13944	mol	CCCC[Si](F)(C#N)C=C=C
-13945	mol	CC(C)C[Si](F)(C=O)C=C
-13946	mol	CCCC[Si](F)(C=O)C=C=C
-13947	mol	CC(C)C[Si](F)(F)C1CC=CO1
-13948	mol	CCCC[Si](F)(F)C(Br)=C=C
-13949	mol	CCCC[Si](F)(F)C=C
-13950	mol	CC(C)C[Si](F)(F)C=C=C
-13951	mol	CCC#C[Si](F)(F)C=C=C
-13952	mol	CC(C)C[Si](F)(F)C(CC)=C=C
-13953	mol	CC(C)C[Si](F)(F)C=C=CF
-13954	mol	CC(C)C[Si](F)(F)C#N
-13955	mol	CC(C)C[Si](F)(F)C(O)=O
-13956	mol	CC(C)C[Si](F)(F)F
-13957	mol	CCCC[Si](F)(F)F
-13958	mol	CC(C)C([Si](F)(F)F)C#N
-13959	mol	CC(C)C[Si](F)(O)C=O
-13960	mol	CCCC[Si](F)(OC=O)C=C
-13961	mol	CC(C)C[Si](F)([SiH](F)F)C=C=C
-13962	mol	CCCC[SiH2]Br
-13963	mol	CC(C)C[SiH2]C1CCCCC1
-13964	mol	CCCC[SiH2]C1CCCCC1
-13965	mol	CC(C)C[SiH2]C1CCCNC1
-13966	mol	CC(C)C[SiH2]C1CCCO1
-13967	mol	CC(C)C[SiH2]C1CC=CO1
-13968	mol	CC(C)C[SiH2]c1cocc1
-13969	mol	CCCC[SiH2]c1cocc1
-13970	mol	CC(C)C[SiH2]C#C
-13971	mol	CCCC[SiH2]CC
-13972	mol	CCCC[SiH2]C=C
-13973	mol	CCCC[SiH2]C#C
-13974	mol	CC(C)C[SiH2]C=C=C
-13975	mol	CCCC[SiH2]CCC
-13976	mol	CCCC[SiH2]C=C=C
-13977	mol	CC(C)C[SiH2]CC(C)C
-13978	mol	CCCC[SiH2]CCCC
-13979	mol	CCCC[SiH2]CC(C)C
-13980	mol	CC(C)C[SiH2]C=O
-13981	mol	CC(C)C[SiH2]C(O)=O
-13982	mol	CCC#C[SiH2]C(O)=O
-13983	mol	CCCC[SiH2]C(O)=O
-13984	mol	CCCC[SiH2]F
-13985	mol	CC(C)C[SiH2]N(=O)=O
-13986	mol	CCC#C[SiH2]N(=O)=O
-13987	mol	CCCC[SiH2]O
-13988	mol	CCC#C[SiH2][SiH3]
-13989	mol	CC(C)(C)[SiH3]
-13990	mol	CCC(C)[SiH3]
-13991	mol	CCC#C[SiH3]
-13992	mol	CCCC[SiH3]
-13993	mol	CCCC([SiH3])Br
-13994	mol	CC#CC([SiH3])=C
-13995	mol	CCC(=C[SiH3])C=C=C
-13996	mol	CCCC([SiH3])C=C=C
-13997	mol	CCC(=C[SiH3])C#CC=C
-13998	mol	CC(C)C([SiH3])C#N
-13999	mol	CCC(=C[SiH3])C=O
-14000	mol	CCC(C[SiH3])N(=O)=O
-14001	mol	CC(C)C([SiH3])=O
-14002	mol	CC(C)C[SiH](Br)C#C
-14003	mol	CC(C)C[SiH](Br)CC(C)C
-14004	mol	CC(C)C[SiH](Br)C=O
-14005	mol	CCC(C)[SiH](C)c1ccccc1
-14006	mol	CCC(C)[SiH](C)C#C
-14007	mol	CCCC[SiH](C#C)c1cocc1
-14008	mol	CC(C)C[SiH](C#C)C=C=C
-14009	mol	CC(C)C[SiH](CC)C=C=C
-14010	mol	CCCC[SiH](C=C)C=C=C
-14011	mol	CC(C)C[SiH](CC(C)C)C#C
-14012	mol	CC(C)C[SiH](CC)CC=C=C
-14013	mol	CCCC[SiH](CCC)CCCC
-14014	mol	CC(C)C[SiH](C#C)C=O
-14015	mol	CC(C)C[SiH](CC)C=O
-14016	mol	CC(C)C[SiH](Cl)c1ccncc1
-14017	mol	CC(C)C[SiH](C#N)C#C
-14018	mol	CC(C)C[SiH](C#N)C=O
-14019	mol	CCCC[SiH](C=O)C=C=C
-14020	mol	CC(C)C[SiH](F)Br
-14021	mol	CCCC[SiH](F)Br
-14022	mol	CC(C)C[SiH](F)C1CCCCC1
-14023	mol	CCCC[SiH](F)C1CCCCC1
-14024	mol	CC(C)C[SiH](F)c1ccccn1
-14025	mol	CC(C)C[SiH](F)C1=CCCO1
-14026	mol	CC(C)C[SiH](F)C1CC=CO1
-14027	mol	CCCC[SiH](F)C1CCNCC1
-14028	mol	CC(C)C[SiH](F)C=C
-14029	mol	CC(C)C[SiH](F)C#C
-14030	mol	CCCC[SiH](F)CC
-14031	mol	CCCC[SiH](F)C=C
-14032	mol	CC(C)C[SiH](F)C=C=C
-14033	mol	CCCC[SiH](F)CCC
-14034	mol	CCCC[SiH](F)C=C=C
-14035	mol	CC(C)C[SiH](F)CC(C)C
-14036	mol	CCCC[SiH](F)CC(C)C
-14037	mol	CC(C)C[SiH](F)C=C=CF
-14038	mol	CC(C)C[SiH](F)C#N
-14039	mol	CCCC[SiH](F)C#N
-14040	mol	CC(C)C[SiH](F)C=O
-14041	mol	CC(C)C[SiH](F)F
-14042	mol	CC(C)C[SiH](F)N(=O)=O
-14043	mol	CCC#C[SiH](F)N(=O)=O
-14044	mol	CC(C)C[SiH](F)O
-14045	mol	CCCC[SiH](N)C
-14046	mol	CCCC[SiH](N)C=C=C
-14047	mol	CC(C)C[SiH](N)C#N
-14048	mol	CC(C)C[SiH](N)C(O)=O
-14049	mol	CCC(C)[SiH](O)c1ccccc1
-14050	mol	CCC(C)[SiH](O)C1CCCCC1
-14051	mol	CCCC[SiH]([SiH](F)F)C=C=C
-14052	mol	CCC(F)(Br)CC
-14053	mol	CCC(F)C
-14054	mol	CCC(F)=C
-14055	mol	CCC(F)=C(Br)C=C=C
-14056	mol	CCC(F)=C(Br)C=C=CC
-14057	mol	CCC(F)=C(Br)C=C=CCl
-14058	mol	CCC(F)=C(Br)C(N)=C=CCl
-14059	mol	CCC(F)CC
-14060	mol	CCC(F)Cc1ccccc1
-14061	mol	CC=C(F)C=C=C
-14062	mol	CCC(F)C(C)C
-14063	mol	CCC(F)=C=CC1CC=CO1
-14064	mol	CCC(F)(CC)CC
-14065	mol	CCC(F)(CC)C(C)C
-14066	mol	CCC(F)=C=C(CC)CC
-14067	mol	CCC(F)=C=C(CC)C=C=C
-14068	mol	CCC(F)=C=C(CC)C=O
-14069	mol	CCC(F)=C=C(CC)C(O)=O
-14070	mol	CCC(F)(CC)C(F)(CC)CC
-14071	mol	CCC(F)=C=CF
-14072	mol	CCC(F)=C=C(F)CC
-14073	mol	CCC(F)CC(O)=O
-14074	mol	CCC(F)=C=C[Si](F)(F)C=C=C
-14075	mol	CCC(F)=C=C[Si](F)(F)C#N
-14076	mol	CCC(F)=CF
-14077	mol	CCC(F)C(F)CC
-14078	mol	CCC(F)C(F)N
-14079	mol	CCC(F)C(F)(O)C=C
-14080	mol	CC=C(F)Cl
-14081	mol	CCC(F)C(N)N
-14082	mol	CCC(F)=C(O)C=C
-14083	mol	CCC(F)C(O)CC
-14084	mol	CCC(F)=C(O)O
-14085	mol	CCC(F)C(O)=O
-14086	mol	CCC(F)(F)C
-14087	mol	CCC(F)(F)C=C=C
-14088	mol	CCC(F)(F)C(F)(F)F
-14089	mol	CCC(F)(F)C#N
-14090	mol	CCC(F)(F)F
-14091	mol	CCC(F)(N)C(F)N
-14092	mol	CCC(F)(N)C(N)C=C
-14093	mol	CCC(F)=O
-14094	mol	CCC(F)(O)C(F)(O)C=C
-14095	mol	CCC(F)(O)C(F)(O)O
-14096	mol	CCC(F)OC=O
-14097	mol	CCC(F)(O)OC=O
-14098	mol	CCC(F)[SiH3]
-14099	mol	CCCl
-14100	mol	CC(Cl)(Br)CC(O)=O
-14101	mol	CC(Cl)c1ccccc1O
-14102	mol	CC(Cl)c1ccccn1
-14103	mol	CC(Cl)C1=CCCO1
-14104	mol	CC(Cl)c1cocc1
-14105	mol	CC(Cl)=C=C
-14106	mol	CC(Cl)C#C
-14107	mol	CC(Cl)(CC1CCOC1)C=C=C
-14108	mol	CC(Cl)(C=C)C1=CCCO1
-14109	mol	CC(Cl)C(C)CC1CCOC1
-14110	mol	CC(Cl)CCC=C=C
-14111	mol	CC(Cl)(CC=C=C)C1=COCC1
-14112	mol	CC(Cl)C#CC#CC=C
-14113	mol	CC(Cl)(CC=C)C(C=O)C=C
-14114	mol	CC(Cl)CC(O)=O
-14115	mol	CC(Cl)N(=O)=O
-14116	mol	CC(Cl)OC=O
-14117	mol	CC(Cl)OC(=O)N(=O)=O
-14118	mol	C=C=CN
-14119	mol	CC=CN
-14120	mol	CC(=C)N
-14121	mol	CC#CN
-14122	mol	CCC#N
-14123	mol	C=C=CN1CCCCC1
-14124	mol	CCCNBr
-14125	mol	CCC(N)C
-14126	mol	CCCNc1ccccc1
-14127	mol	C=C=CNc1ccccc1
-14128	mol	CC(C)Nc1ccccc1
-14129	mol	CCC(N)c1ccccc1
-14130	mol	CCCNC1CCCCC1
-14131	mol	C=C=CNC1CCCCC1
-14132	mol	CC(C)NC1CCCCC1
-14133	mol	CC(C)N(C1CCCCC1)C=C
-14134	mol	CCC(N)(C1CCCCC1)C(=O)N
-14135	mol	CCC(N)(C1CCCCC1)C(O)=O
-14136	mol	CCCN(C1CCCCC1)C(O)=O
-14137	mol	CCCN(C1CCCCC1)N
-14138	mol	CCC(N)C1CCCCCCC1
-14139	mol	CCC(N)(C1CCCCCCC1)C(O)=O
-14140	mol	CCCNC1CC=CO1
-14141	mol	CCCN(C1CC=CO1)C#N
-14142	mol	CCCNC1CC(N)CCCCC1N
-14143	mol	CCCNC1C=COC1
-14144	mol	CCC(N)c1cocc1
-14145	mol	CCc(nc1O)cc(F)c1Cl
-14146	mol	CC(C#N)=C(Br)C=O
-14147	mol	C=C=C(N)C=C
-14148	mol	C=C=CNC=C
-14149	mol	CC=C(N)C=C
-14150	mol	CC(C#N)=C=C
-14151	mol	CCC(N)CC
-14152	mol	CCC(N)C=C
-14153	mol	CCCNC=C
-14154	mol	CC(C)N(C)C1CCCCC1
-14155	mol	CC(C#N)Cc1ccccc1O
-14156	mol	CCCNC(C1CCCCC1)=O
-14157	mol	CCCN(C)C1CCCCCCC1
-14158	mol	CCCNCCC
-14159	mol	C=C=CNC=C=C
-14160	mol	CC(C)N(C)C=C
-14161	mol	CC(C)NC(C)C
-14162	mol	CCC(N)C(C)C
-14163	mol	CCCN(C)CC
-14164	mol	CCCNC=C=C
-14165	mol	CCCNC(C)C
-14166	mol	CCCN(CC)c1ccccc1
-14167	mol	CC(C#N)C(C)c1cocc1
-14168	mol	CCCNCCCC
-14169	mol	CCC(N)(CC)CC
-14170	mol	CCC(N)CC(C)C
-14171	mol	CCCN(C)C(C)C
-14172	mol	CCCN(CC)CC
-14173	mol	CCCN(CC)C=C
-14174	mol	CCCNC(C)CC
-14175	mol	CCC(N)C(C)Cc1ccccc1
-14176	mol	CCCN(CCC)c1ccccc1
-14177	mol	CCCNCCCCC
-14178	mol	CC(C#N)C(C)C=C=C
-14179	mol	CCC(N)(C)CC(C)C
-14180	mol	CCC(N)(CC)C(C)C
-14181	mol	CCC(N)C(CC)CC
-14182	mol	CCCN(C)C(C)CC
-14183	mol	CCCN(CC)CCC
-14184	mol	CCCN(CC)C(C)C
-14185	mol	CCCN(CC)C(C)=C
-14186	mol	CCCNCC(C)CC
-14187	mol	CCC(N)CCCCC1CCCCC1
-14188	mol	CCCNCCCCCC
-14189	mol	CCC(N)(C)C(CC)C=C
-14190	mol	CCC(N)CCCC(C)C
-14191	mol	CCCN(C(C)CC)C=C
-14192	mol	CCCN(CC)C(C)CC
-14193	mol	CCCN(CCC)C(C)C
-14194	mol	CCCNC(C)CCCC
-14195	mol	CCCNC(CC)CCC
-14196	mol	CCC(N)CC(C)CC(C)C
-14197	mol	CCC(N)CCCCC(C)C
-14198	mol	CCCN(C)C(CC)CCC
-14199	mol	CCC(N)(C(C)C)C(CC)C=C
-14200	mol	CCC(N)CCCCCC(C)C
-14201	mol	CCCN(CC)C(CC)CCC
-14202	mol	CCCN(CC)CCC(C)CC
-14203	mol	CCC(N)C(C(C)C)C(CC)CC
-14204	mol	CCC(N)CCCC(C)CC(C)C
-14205	mol	CCC(N)CCCCCC(CC)CC
-14206	mol	CCCN(CCC)C(C)CCC(C)C
-14207	mol	CCCN(CCC)C(CCC)CCC(C)C
-14208	mol	CCC(N)CC(C(C)CC)CC(C)OC=O
-14209	mol	CCCN(CC)CCCCC=O
-14210	mol	CCC(N)(C)C(CC)CC(O)=O
-14211	mol	CCC(N)CCCCCC(O)=O
-14212	mol	CCCN(C(C)C)C(C)=O
-14213	mol	CCCN(CC)C(CC)=O
-14214	mol	CCCNC(C(C)CC)=O
-14215	mol	CCC(N)CCCCCOC=O
-14216	mol	CCC(N)C(C(CC)C=O)C(=O)N
-14217	mol	CCCN(C(C)CC)C(=O)N
-14218	mol	CCCN(C(C)CC)C(O)=O
-14219	mol	CCCNCCCCN
-14220	mol	CCCN(C(C)CC)N
-14221	mol	CCCN(CCC)C(N)C
-14222	mol	CC(C)N(C)C(C)C=O
-14223	mol	CCCN(CC)C(C)=O
-14224	mol	CCCN(C(C)C)C(O)=O
-14225	mol	CC(C#N)C(C)(Cl)C=C=C
-14226	mol	CCCN(C(C)C)N
-14227	mol	CCC(N)CCC(N)C
-14228	mol	CCC(N)CCCNC=O
-14229	mol	CCC(N)(C)CC(N)C(=O)N
-14230	mol	CCCN(CC)C(O)C
-14231	mol	CCCN(CC)C(O)CNC=O
-14232	mol	CCCN(CC)C(O)(C)OC=O
-14233	mol	CCCN(C=C)C(=O)C(O)=O
-14234	mol	CCC(N)C(C)C(=O)N
-14235	mol	CCCN(CC)C(O)=O
-14236	mol	CCC(N)(C)C(F)N(=O)=O
-14237	mol	CCCN(CC)NCC
-14238	mol	CCC(N)CC(N)C(CC)C(O)=O
-14239	mol	CCC(N)CC(N)C(N)CC
-14240	mol	CCC(N)CC(N)C(N)CCC(=O)N
-14241	mol	CCCN(CC)NC=O
-14242	mol	C=CC(N)=C=CN(=O)=O
-14243	mol	CC(C#N)C(C)N(=O)=O
-14244	mol	CCC(N)(CC(O)=O)C=C
-14245	mol	CCC(N)=C(C(O)=O)C(O)=O
-14246	mol	CCC(N)=C(F)O
-14247	mol	CCCN(C)N
-14248	mol	CCC(N)C(N)(C1CCCCC1)C(O)=O
-14249	mol	CCC(N)C(N)C=C
-14250	mol	CCC(N)CN(CC)CC
-14251	mol	CCCN(C(N)(CC)C(C)C)C=O
-14252	mol	CCCN(C(N)(C)CC)C=O
-14253	mol	CCC(N)(C(N)C)CCNC(=O)N
-14254	mol	CC(C(N)(C#N)C#N)C=O
-14255	mol	CCC(N)(C)NC=O
-14256	mol	CC(C(N)(C#N)C=O)C=O
-14257	mol	CCC(N)(C)NC(O)=O
-14258	mol	CCCN(C(N)(N)CC)C=O
-14259	mol	CCC(N)(C)N(N)C=O
-14260	mol	CCCN(C(N)N)C=O
-14261	mol	C=CCNC=O
-14262	mol	CC=C(N)C=O
-14263	mol	CC(C)NC=O
-14264	mol	CCC(N)C=O
-14265	mol	CCCNC=O
-14266	mol	CCC(N)C(O)C
-14267	mol	CCC(N)COC1CCCCC1
-14268	mol	CCC(N)(C)OC1CCCCC1
-14269	mol	CCCN(C=O)C=C
-14270	mol	CC(C)N(C(O)(C)C1CCCCC1)C=O
-14271	mol	CC(CNC=O)CNC(O)=O
-14272	mol	CCC(NC=O)CN(N)C(=O)N
-14273	mol	CC(C)N(C=O)C=O
-14274	mol	CC(C)N(C=O)C(O)=O
-14275	mol	CC(C)NC(OC=O)=O
-14276	mol	CCCNC(=O)C(O)=O
-14277	mol	CCCNC(OC=O)=O
-14278	mol	CC(C)NC(=O)N
-14279	mol	CCC(N)C(=O)N
-14280	mol	CCCNC(=O)N
-14281	mol	CCC(N)(C=O)N(C(C)C)C(O)=O
-14282	mol	CCC(N)(C=O)N(C)C(O)=O
-14283	mol	CCC(N)(C=O)NC=O
-14284	mol	CCC(N)(C=O)NC(=O)C=O
-14285	mol	CCC(N)(C=O)NC(=O)N
-14286	mol	CCC(N)(C=O)NC(O)=O
-14287	mol	CCC(N)(C=O)N(N)C(O)=O
-14288	mol	CCCNC(=O)N(N)N
-14289	mol	C=CCNC(O)=O
-14290	mol	CC(C)NC(O)=O
-14291	mol	CCC(N)C(O)=O
-14292	mol	CCCNC(O)=O
-14293	mol	CCC(N)C(O)(O)C=C
-14294	mol	CC(C(N)C(O)=O)Cc1ccccc1
-14295	mol	CCCN(C(O)=O)C=C=C
-14296	mol	CCCN(C(O)=O)C=C=CCl
-14297	mol	CCC(N)(C(O)=O)C(=O)N
-14298	mol	CCCN(C(O)=O)C(=O)NC=O
-14299	mol	CC(C)N(C(O)=O)C(O)=O
-14300	mol	CCC[NH](O)=O
-14301	mol	CCCNN
-14302	mol	CC(C)NN
-14303	mol	CCC(N)N
-14304	mol	CCC(N)(N)C
-14305	mol	CCC(NN)c1ccccc1
-14306	mol	CCCN(N)c1ccccc1N
-14307	mol	CC(C)N(N)C=C
-14308	mol	CC(C)NN(C)C
-14309	mol	CC(C)NNC(C)C
-14310	mol	CCC(N)(N)C(C)C
-14311	mol	CC(C)NN(C)C(C)C
-14312	mol	CC(C)NN(CC)C=C
-14313	mol	CC(C)NN(C(C)C)C(C)C
-14314	mol	CC(C)NN(CC)C(C)C(=O)N
-14315	mol	CC(C)NN(C)CCC=O
-14316	mol	CC(C)NN(C(C)C)N
-14317	mol	CC(C)NN(CC)N
-14318	mol	CC(C)NN(C)C(N)C
-14319	mol	CCC(N)NC=O
-14320	mol	CCCN(N)C=O
-14321	mol	CCCNNC=O
-14322	mol	CCC(N)(N)C(=O)N
-14323	mol	CCCN(N)C(=O)N
-14324	mol	CCCNNC(=O)N(N)N
-14325	mol	CC(C)N(N)C(O)=O
-14326	mol	CCC(N)(N)C(O)=O
-14327	mol	CCC(NN)C(O)=O
-14328	mol	CC(C)N(N)N
-14329	mol	CCC(N)(N)N
-14330	mol	CCCN(N)N
-14331	mol	CCC(N)(N)NC=O
-14332	mol	CCC(N)(N)NC(=O)N
-14333	mol	CCC(N)(N)NC(O)=O
-14334	mol	CCC(NN)N(N)C(C(C)C)=O
-14335	mol	CCC(NN)N(N)C(O)=O
-14336	mol	CC(C)NNO
-14337	mol	CCC(N)(N)OC=O
-14338	mol	CCCNN(=O)=O
-14339	mol	CCCN(O)C
-14340	mol	CCCN(O)c1ccccc1
-14341	mol	CC(C)N(O)C1CCCCC1
-14342	mol	CCCN(O)CC
-14343	mol	CCCN(O)C=C
-14344	mol	CCCN(O)C(C)CC
-14345	mol	CCCN(O)C(CC)CCC
-14346	mol	CCC(N)OC(C(C)CC)=O
-14347	mol	CCC(N)OC=O
-14348	mol	CCCN(O)C=O
-14349	mol	CCCNOC=O
-14350	mol	CCCN(OC=O)N
-14351	mol	CCCN(OC=O)NC=O
-14352	mol	CCCN(O)C(O)=O
-14353	mol	CCCNOC(O)=O
-14354	mol	CCCNONN
-14355	mol	C=C=CN(=O)=O
-14356	mol	C=CCN(=O)=O
-14357	mol	C#CCN(=O)=O
-14358	mol	CC(=C)N(=O)=O
-14359	mol	CC(C)N(=O)=O
-14360	mol	CCCN(=O)=O
-14361	mol	CC(CN(=O)=O)C=C=C
-14362	mol	CCCN(O)ONN
-14363	mol	C=C=C(N(=O)=O)N(=O)=O
-14364	mol	C#CC=O
-14365	mol	CC(C)=O
-14366	mol	CCC=O
-14367	mol	CC(CO1)CC1(OC=O)C=O
-14368	mol	CCC(O1)=C(CC1C=O)C=C
-14369	mol	CC=C(O)C
-14370	mol	CCC(O)C
-14371	mol	CCC(O)=C
-14372	mol	CCc(oc1)cc1C
-14373	mol	CCC(OC1)CC1C
-14374	mol	CCC(OC1)=CC1C=C
-14375	mol	CCC(OC1)=CC1C#C
-14376	mol	CCC(OC1)=CC1C=O
-14377	mol	CCc(oc1)cc1O
-14378	mol	CCC(OC1)CC1O
-14379	mol	CCC(OC1)=CC1O
-14380	mol	CCC(OC1)=CC1OC=O
-14381	mol	CCC(OC1)CC1(O)C(O)=O
-14382	mol	CCc(oc1C)cc1C=C
-14383	mol	CCc(oc1C)cc1C#C
-14384	mol	CCc(oc1C)cc1OC=O
-14385	mol	CCc(oc1ccc2)cc1c2Br
-14386	mol	C#Cc(oc1ccc2)cc1c2Cl
-14387	mol	CCc(oc1C#C)cc1C=O
-14388	mol	CCC(OC1C=C)=CC1C=O
-14389	mol	CCc(oc1C=C)cc1C(O)=O
-14390	mol	CCc(oc1C)c(C)c1O
-14391	mol	CCCOc1ccccc1
-14392	mol	C=C=COc1ccccc1
-14393	mol	CC=C(O)c1ccccc1
-14394	mol	CC(=C)Oc1ccccc1
-14395	mol	CC(C=O)c1ccccc1
-14396	mol	CC(C)Oc1ccccc1
-14397	mol	CCC(=O)c1ccccc1
-14398	mol	CCC(O)c1ccccc1
-14399	mol	CCCOC1CCCCC1
-14400	mol	CC=C(O)C1CCCCC1
-14401	mol	CC(C)OC1CCCCC1
-14402	mol	CC#COC1CCCCC1
-14403	mol	CCC(O)C1CCCCC1
-14404	mol	CC(C)Oc1ccccc1C
-14405	mol	CCC(=O)c1ccccc1C
-14406	mol	C=CC(OC1CCCCC1)=C
-14407	mol	CCc(oc1C)c(C=C)c1C=C
-14408	mol	CCC(=O)c1ccccc1C(C)C
-14409	mol	CCc(oc1C)c(C=C)c1C=O
-14410	mol	CCC(=O)c1ccccc1C=O
-14411	mol	CC(C)(OC1CCCCC1)C=O
-14412	mol	CC(COC1CCCCC1)C=O
-14413	mol	CCC(O)(C1CCCCC1)C=O
-14414	mol	CCC(OC1CCCCC1)C=O
-14415	mol	CCC(=O)c1ccccc1C(O)=O
-14416	mol	CCc(oc1C)c(CC)c1O
-14417	mol	CCCOc1ccccc1O
-14418	mol	C=CC(Oc1ccccc1)=O
-14419	mol	C#CC(Oc1ccccc1)=O
-14420	mol	C=CC(OC1CCCCC1)=O
-14421	mol	C#CC(OC1CCCCC1)=O
-14422	mol	CCC(OC1CCCCC1)=O
-14423	mol	CCC(=O)c1ccc(C)cc1C
-14424	mol	CCC(=O)c1cc(C)ccc1C(C)C
-14425	mol	CCC(=O)c1ccc(C(C)C)cc1C
-14426	mol	CCCOc1ccc(C=O)cc1
-14427	mol	C=C=COC1CC=CO1
-14428	mol	CC=C(O)C1CCCO1
-14429	mol	CC=C(O)C1CC=CO1
-14430	mol	CC(C)OC1CC=CO1
-14431	mol	CCC(O)C1CC=CO1
-14432	mol	CCCOC1CC=CO1
-14433	mol	C#CC(OC1CCCO1)=C
-14434	mol	CCC(OC1(CCCO1)C=C)=O
-14435	mol	CCC(O)(C1CCCO1)C=O
-14436	mol	C#CC(OC1CC=CO1)=O
-14437	mol	C#CC(OC1CCCO1)=O
-14438	mol	CCC(OC1CCCO1)=O
-14439	mol	CCC(O)(C1CCCO1)OC=O
-14440	mol	C=C=COC1CCNCC1
-14441	mol	CC=C(O)C1CCOC1
-14442	mol	CCC(O)C1C=COC1
-14443	mol	CC(COC1C=COC1)CC=O
-14444	mol	CCC(O)(C1C=COC1)C=O
-14445	mol	CCC(O)(C1CCOC1)C=O
-14446	mol	CCc(oc1C)c(O)c1O
-14447	mol	C=CC(OC1CCOC1)=O
-14448	mol	CCC(OC1CCOC1)=O
-14449	mol	CC(C)OC1CC(O)CCC1O
-14450	mol	CCc(oc1C#N)cc1C=C
-14451	mol	CCCOc1cocc1
-14452	mol	CC(C=O)c1cocc1
-14453	mol	CC(C)Oc1cocc1
-14454	mol	CCC(=O)c1cocc1
-14455	mol	CCC(O)c1cocc1
-14456	mol	C=C=COC1=COCC1
-14457	mol	C#CC(=O)C1=COCC1
-14458	mol	CCC(OC1C=O)=CC1
-14459	mol	CCC(OC1C=O)=CC1C=O
-14460	mol	CCC(OC1C=O)=CC1C(O)=O
-14461	mol	C=CC(Oc1cocc1)=O
-14462	mol	C#CC(Oc1cocc1)=O
-14463	mol	CCC(OC1OC(Br)=O)=CC1
-14464	mol	CCc(oc1O)cc1C=O
-14465	mol	CCc(oc1O)cc1OC=O
-14466	mol	CCCOc1occc1
-14467	mol	CC(C=O)c1occc1
-14468	mol	CC(C)Oc1occc1
-14469	mol	CCC(O)c1occc1
-14470	mol	CCc(oc1O)c(C)c1CC
-14471	mol	CCCOC1OC=CC1CC
-14472	mol	CCCOC1OC=CC1O
-14473	mol	CCc(oc1O)c(CC)c1O
-14474	mol	C=CC(OC2c1cocc1)=CC2
-14475	mol	C=CC(OC2c1occc1)=CC2
-14476	mol	C=Cc(oc2)cc2C1CCCO1
-14477	mol	C=Cc(oc2)cc2C1CC=CO1
-14478	mol	C#Cc(oc2)cc2C1CCCO1
-14479	mol	C#Cc(oc2)cc2C1CC=CO1
-14480	mol	CCC(OC2)=CC2C1CCCO1
-14481	mol	C=Cc(oc2)cc2C1C=COC1
-14482	mol	CCC(=O)c2cc(ccc2)c1ccccc1
-14483	mol	CCC(O)(C2CCCCC2)C(C)C1CCCCC1
-14484	mol	CC(C)(OC(Br)=O)N(=O)=O
-14485	mol	C=CC(=O)C=C
-14486	mol	C#CC(=O)C=C
-14487	mol	C#CC(=O)C#C
-14488	mol	CC=C(O)C=C
-14489	mol	CC=C(O)C#C
-14490	mol	CC=COC=C
-14491	mol	CC(C=O)C=C
-14492	mol	CC(C)OC=C
-14493	mol	CC(C)OC#C
-14494	mol	CC#COC=C
-14495	mol	CC#COC#C
-14496	mol	CCC(=O)C=C
-14497	mol	CCC(=O)C#C
-14498	mol	CCC(O)CC
-14499	mol	CCC(O)=CC
-14500	mol	CCC(O)(C)C
-14501	mol	CCC(O)C=C
-14502	mol	CCC(O)C#C
-14503	mol	CCCOC=C
-14504	mol	CCCOC#C
-14505	mol	CCc(occ1C)c1C
-14506	mol	CCc(occ1C)c1O
-14507	mol	CCCOCc1ccccc1
-14508	mol	CC(C=O)Cc1ccccc1
-14509	mol	CC(C)OCc1ccccc1
-14510	mol	CCC(=O)Cc1ccccc1
-14511	mol	CCC(O)Cc1ccccc1
-14512	mol	CCC(O)=Cc1ccccc1
-14513	mol	CCC(O)(C)c1ccccc1
-14514	mol	CCC(O)CC1CCCCC1
-14515	mol	CCC(O)(C)C1CCCCC1
-14516	mol	CCC(OCC1CCCCC1)CC(C)C=O
-14517	mol	C=CC(=O)C(c1ccccc1)=O
-14518	mol	C#CC(=O)C(c1ccccc1)=O
-14519	mol	C#CC(=O)C(C1CCCCC1)=O
-14520	mol	CC(C=O)C(C1CCCCC1)=O
-14521	mol	CC(C)OC(C1CCCCC1)=O
-14522	mol	CCC(=O)C(C1CCCCC1)=O
-14523	mol	CCCOC(C1CCCCC1)=O
-14524	mol	CC(C=O)Cc1cc(C)ccc1C
-14525	mol	CC(C=O)Cc1cc(C)ccc1C=O
-14526	mol	CC(C=O)Cc1ccc(C(C)C)cc1
-14527	mol	CC(C=O)Cc1ccc(C=O)cc1
-14528	mol	CCC(O)CC1CCCO1
-14529	mol	CCC(O)=CC1CCCO1
-14530	mol	CCC(O)=CC1CC=CO1
-14531	mol	C#CC(=O)C(C1CCCO1)=O
-14532	mol	CCC(=O)C(C1CC=CO1)=O
-14533	mol	CCC(O)CC1CCOC1
-14534	mol	CCC(O)=CC1C=COC1
-14535	mol	CCC(O)CC1C=COC1
-14536	mol	CC(C=O)=C(C1CCOC1)C=C
-14537	mol	CCC(OC(C1CCOC1)=C)=O
-14538	mol	CC(C)OC(C1C=COC1)=O
-14539	mol	CC(C)OC(C1CCOC1)=O
-14540	mol	CCCOC(C1CCOC1)=O
-14541	mol	CCC(OC(C1CCOC1)=O)=O
-14542	mol	CCCOCC1CC(=O)C=C1C
-14543	mol	CC(C=O)Cc1cocc1
-14544	mol	CCC(O)Cc1cocc1
-14545	mol	CCC(O)=Cc1cocc1
-14546	mol	CCC(O)(C)c1cocc1
-14547	mol	CCC(O)=C(c1cocc1)C=C
-14548	mol	CCC(O)(CC1=COCC1)C=C
-14549	mol	CCc(occ1O)c1C
-14550	mol	CCc(occ1O)c1CC
-14551	mol	CCc(occ1O)c1C=C
-14552	mol	CCc(occ1O)c1C=C=C
-14553	mol	CCc(occ1O)c1C(O)=O
-14554	mol	CCc(occ1O)c1O
-14555	mol	CCc(occ1O)c1OC=O
-14556	mol	CCC(O)Cc1occc1
-14557	mol	CCC(O)=C(c1occc1)C=C
-14558	mol	C=CC(=O)C(c1occc1)=O
-14559	mol	C#CC(OCC2)=C2c1occc1
-14560	mol	CCCOCCC
-14561	mol	C=C=COC=C=C
-14562	mol	CC=C(O)C=C=C
-14563	mol	CC(C=O)=CC=C
-14564	mol	CC(C=O)=CC#C
-14565	mol	CC(C=O)C=C=C
-14566	mol	CC(C)OC=CC
-14567	mol	CC(C)OC(C)C
-14568	mol	CC#COC#CC
-14569	mol	CC#COCC#C
-14570	mol	CCC(=O)C=C=C
-14571	mol	CCC(O)=C(C)C
-14572	mol	CCC(O)=CC=C
-14573	mol	CCC(O)=CC#C
-14574	mol	CCC(O)(C)CC
-14575	mol	CCC(O)(C)C=C
-14576	mol	CCC(O)C(C)C
-14577	mol	CCC(O)CC=C
-14578	mol	CCC(O)CC#C
-14579	mol	CCCOC=CC
-14580	mol	CCCOC=C=C
-14581	mol	CCCOC(C)C
-14582	mol	CCC(=O)c(cc1)ccc1C
-14583	mol	CC(C)OC(CC1)CCC1C
-14584	mol	CCC(=O)c(cc1)ccc1CC
-14585	mol	CCCOc(cc1)ccc1CC
-14586	mol	CCC(=O)c(cc1)ccc1C(C)C
-14587	mol	CCC(=O)c(cc1)ccc1C=O
-14588	mol	CCC(=O)c(cc1)ccc1C(O)=O
-14589	mol	CC(C)Oc(cc1)ccc1O
-14590	mol	CCCOc(cc1)ccc1O
-14591	mol	C#CC(=O)C#Cc1ccccc1
-14592	mol	CC(C=O)C(C)c1ccccc1
-14593	mol	CC(C)OC(C)c1ccccc1
-14594	mol	CCC(O)CCc1ccccc1
-14595	mol	CCC(O)=C(C)c1ccccc1
-14596	mol	CCC(O)(CC)c1ccccc1
-14597	mol	CC(C)OCCC1CCCCC1
-14598	mol	CCC(O)CCC1CCCCC1
-14599	mol	CCC(O)(CC)C1CCCCC1
-14600	mol	CCC(O)C(C)C1CCCCC1
-14601	mol	CCC(=O)c(cc1C)cc(C(C)C)c1
-14602	mol	CC(C=O)C(C)c1ccc(C=O)cc1
-14603	mol	C#CC(=O)C#CC1CC=CO1
-14604	mol	CC(C(O)C=C)C1CC=CO1
-14605	mol	CCC(O)=C=CC1CC=CO1
-14606	mol	CCC(O)(CC)C1CCCO1
-14607	mol	C#CC(OC#CC1CC=CO1)=O
-14608	mol	C#CC(=O)C#CC1CCOC1
-14609	mol	CC#COC#CC1C=COC1
-14610	mol	C=CC(OC#CC1C=COC1)=O
-14611	mol	C#CC(OC#CC1C=COC1)=O
-14612	mol	C#CC(OC#CC1CCOC1)=O
-14613	mol	CC(C=O)(C=C)c1cocc1
-14614	mol	CCC(O)(C)Cc1cocc1
-14615	mol	CCC(O)(CC)c1cocc1
-14616	mol	C#CC(=O)C#CC1=COCC1
-14617	mol	CCC(O)=C(C)c1occc1
-14618	mol	CCC(O)(CC)c1occc1
-14619	mol	CCC(O)C(C)c1occc1
-14620	mol	C#CC(OC#Cc1occc1)=O
-14621	mol	CC(C=O)C(C)(C2CCCCC2)c1ccccc1
-14622	mol	CCC(O)(C(C)C2CCCCC2)c1ccccc1
-14623	mol	CCCOCCCC
-14624	mol	CC(C=O)C#CC#C
-14625	mol	CC(C(O)C=C)C#C
-14626	mol	CC(C)(OC=C)C#C
-14627	mol	CC(C)(OC#C)C=C
-14628	mol	CC(C)(OC#C)C#C
-14629	mol	CC(C)OC=CC=C
-14630	mol	CC(C)OC=CC#C
-14631	mol	CC(C)OC(C)(C)C
-14632	mol	CC(C)OCC(C)C
-14633	mol	CC#COC#CC#C
-14634	mol	CCC(=O)C#CC#C
-14635	mol	CCC(O)=C(C)CC
-14636	mol	CCC(O)=CC(C)C
-14637	mol	CCC(O)(C)C(C)C
-14638	mol	CCC(O)(CC)CC
-14639	mol	CCC(O)C(C)CC
-14640	mol	CCC(O)C(C)C=C
-14641	mol	CCC(O)CC(C)C
-14642	mol	CCC(OC=C)=CC
-14643	mol	CCCOC(C)CC
-14644	mol	CCCOC(C)(C)C
-14645	mol	CCCOC#CC#C
-14646	mol	CCCOCC(C)C
-14647	mol	CCC(=O)c(ccc1)cc1C
-14648	mol	CC(C)OC(CCC1)CC1C
-14649	mol	CCCOC(CCC1)CC1CC
-14650	mol	CCC(=O)c(ccc1)cc1C(C)C
-14651	mol	CCC(=O)c(ccc1)cc1C(O)=O
-14652	mol	CC(C)OC(CCC1)CC1O
-14653	mol	CCC(=O)c(ccc1C)cc1C(O)=O
-14654	mol	CCC(=O)c(ccc1C)cc1O
-14655	mol	CCC(=O)C(C)(C)c1ccccc1
-14656	mol	CCCOC(C)(C)c1ccccc1
-14657	mol	CC(C(O)C=C)CC1=CCCO1
-14658	mol	CCC(O)=C(CC)C1CC=CO1
-14659	mol	CCC(O)C(CC)C1CC=CO1
-14660	mol	CCC(O)=C(CC)C1C=COC1
-14661	mol	CCC(O)=CC=CC1CCOC1
-14662	mol	CCC(=O)c(ccc1C)c(O)c1C(O)=O
-14663	mol	CCC(O)=C(CC)c1cocc1
-14664	mol	CCC(O)(C=C)Cc1cocc1
-14665	mol	CCC(O)(CC=C)c1cocc1
-14666	mol	CC(C)OC(CCC1O)CC1C
-14667	mol	CC(COC#C)Cc1occc1
-14668	mol	CCC(O)=C(CC)c1occc1
-14669	mol	CCC(=O)c(ccc2)cc2C1CCCCC1
-14670	mol	CCCOCCCCC
-14671	mol	CC=C(O)C(=CC)C=C
-14672	mol	CC(C=O)=C(C=C)C=C
-14673	mol	CC(C)OC(C)C(C)C
-14674	mol	CC(COC=C)CC=C
-14675	mol	CC(COC=C)CC#C
-14676	mol	CC(COC#C)CC#C
-14677	mol	CC#COC#CC#CC
-14678	mol	CCC(O)=C=CC=C=C
-14679	mol	CCC(O)=C(C=C)C=C
-14680	mol	CCC(O)=C(C)CC=C
-14681	mol	CCC(O)=C(CC)C=C
-14682	mol	CCC(O)=CC=CC=C
-14683	mol	CCC(O)(C)C(C)C=C
-14684	mol	CCC(O)(C)C(C)C#C
-14685	mol	CCC(O)(C)CC(C)C
-14686	mol	CCC(O)(CC#C)C#C
-14687	mol	CCC(O)C(C)CC=C
-14688	mol	CCC(O)C(CC)CC
-14689	mol	CCC(O)C(CC)C=C
-14690	mol	CCC(O)CC(C)CC
-14691	mol	CCC(O)CC(C)(C)C
-14692	mol	CCC(O)CC(C)C=C
-14693	mol	CCC(O)CC#CC=C
-14694	mol	CCC(O)CCC(C)C
-14695	mol	CCC(O)CCCC=C
-14696	mol	CCC(OC=C)=CC=C
-14697	mol	CCC(OC=C)=CC#C
-14698	mol	CCCOC(C)CCC
-14699	mol	CCCOC(CC)CC
-14700	mol	CCC(=O)c(cccc1C)c1C(C)C
-14701	mol	CC(C)OCCCCC1CCCCC1
-14702	mol	CCCOC(CCC)C1CCCCC1
-14703	mol	CC(C=O)Cc(ccc1C=O)cc1C
-14704	mol	CCC(=O)c(cccc2C1CCCCC1)c2C
-14705	mol	CCCOCCCCCC
-14706	mol	CC(C)(OC=C)C=CC=C
-14707	mol	CC(C)OC(C)(C)C(C)C
-14708	mol	CC(C)OCC(C)C(C)C
-14709	mol	CC(C)OCCCC(C)C
-14710	mol	CC#COC#CC#CC=C
-14711	mol	CCC(O)=C(CC=C)C=C
-14712	mol	CCC(O)=C(CC)C(C)C
-14713	mol	CCC(O)=C(CC)CC=C
-14714	mol	CCC(O)=CC(C(C)C)=C
-14715	mol	CCC(O)(CC)C(C)C=C
-14716	mol	CCC(O)C(C)(CC)CC
-14717	mol	CCC(O)C(C)C(C)CC
-14718	mol	CCC(O)CCC(C)CC
-14719	mol	CCC(OC(C)C)CC=C
-14720	mol	CCCOC(C=C)=CC=C
-14721	mol	CCCOC(C)CCCC
-14722	mol	CCCOC(C)(C)CCC
-14723	mol	CCCOC(CC)CCC
-14724	mol	CCCOC(CC)C(C)C
-14725	mol	CCCOC#CC(C)(C)C
-14726	mol	CCCOCC(C)C(C)C
-14727	mol	CCCOC(CCCC)c1ccccc1
-14728	mol	CCC(O)CCCCCC1CCCCC1
-14729	mol	CCC(O)CCC(CC)C1CCCCC1
-14730	mol	CC(C)OC(C)(C)C=CC=C
-14731	mol	CC(C)OCC(CC)C(C)C
-14732	mol	CC(C)OCCC(C)C(C)C
-14733	mol	CC(COC=C)C(C=C)C=C
-14734	mol	CCC(O)=CC=CC(C)(C)C
-14735	mol	CCC(O)(C(C)C)C(C)(C)C
-14736	mol	CCC(O)C(CC)C(C)CC
-14737	mol	CCC(O)C(CC)CC(C)C
-14738	mol	CCCOC(C)(C)CCCC
-14739	mol	CCCOC(C)(CC)CCC
-14740	mol	CCCOC(C)C(C)CCC
-14741	mol	CCCOC(C)CCC(C)C
-14742	mol	CCCOC(CC)CC(C)C
-14743	mol	CCCOC(CCC)CCC
-14744	mol	CCCOC(CCC)C(C)C
-14745	mol	CCCOCC(CC)CCC
-14746	mol	CCCOCCC(C)CCC
-14747	mol	CCCOCCCC(C)CC
-14748	mol	CCCOCCCCCCCC
-14749	mol	CC#COC#CC#CC(C)(C)C
-14750	mol	CCC(O)C(C(C)C)C(C)CC
-14751	mol	CCC(O)CCCCCC(C)C
-14752	mol	CCCOC(C)(CCC)CCC
-14753	mol	CCCOC(C)C(C)C(C)CC
-14754	mol	CCCOC(CCC)CCCC
-14755	mol	CCCOC(CCC)C(C)CC
-14756	mol	CCCOCC(C)C(C)CCC
-14757	mol	CCCOCC(CC)CCCC
-14758	mol	CCCOCCC(C)CCCC
-14759	mol	CC(C)OCCCC(CC)C(C)CC
-14760	mol	CCCOCCCC(CC)C(C)CC
-14761	mol	CCC(OC(C)CC(C)C)CC(C)C=O
-14762	mol	CCC(OC(CC)C(C)C)CC(C)C=O
-14763	mol	CCC(OCC(C)C(C)C)CC(C)C=O
-14764	mol	CCC(OC(C)CC(C)C)CCC=O
-14765	mol	CCCOC(C(CC)C(C)CC)=O
-14766	mol	CCC(O)(C)C(C)C(C)(C)C=O
-14767	mol	CCC(O)C(C)CC(CCC)=O
-14768	mol	CCC(O)C(CC)(C=C)C=CO
-14769	mol	CCC(OC(C)C)CC(C)C=O
-14770	mol	CCC(OC(C)C)CCCC=O
-14771	mol	CCC(OCC(C)C)CCC=O
-14772	mol	CCCOC(CC)(CCC)C=O
-14773	mol	CC(C)OC(C)(C)C(CC)=O
-14774	mol	CC(C)OC(C)(CC)CC=O
-14775	mol	CC(C)OC(CC)(CC)C=O
-14776	mol	CC(C)OC(CC)C(CC)=O
-14777	mol	CCC(O)C(C(C)CC)C=O
-14778	mol	CCC(O)CCCCCC=O
-14779	mol	CCCOC(C)(CCC)C=O
-14780	mol	CCCOC(CC)(CC)C=O
-14781	mol	CCCOC(CCC)CC=O
-14782	mol	CCCOCCCC=CC=O
-14783	mol	CCC(O)(C(C)C(C)(C)C=O)Cc1ccccc1
-14784	mol	CCCOC(CCC)CC(O)=O
-14785	mol	CCC(O)CCCCCNC(O)=O
-14786	mol	CC(C)OC(C(C)C)C=O
-14787	mol	CC(C)OC(C)(C)CC=O
-14788	mol	CC(C)OC(C)CCC=O
-14789	mol	CC(C)OCC(CC)C=O
-14790	mol	CCC(O)=C(C=C)C=CO
-14791	mol	CCC(O)(CC)C(C)C=O
-14792	mol	CCC(O)C(C(C)C)C=O
-14793	mol	CCC(O)C(C)(CC)C=O
-14794	mol	CCCOC(C(C)C)C=O
-14795	mol	CCCOC(C(C)CC)=O
-14796	mol	CCCOC(C)(CC)C=O
-14797	mol	CCCOC(CC(C)C)=O
-14798	mol	CCCOC(CCC)C=O
-14799	mol	CC(C)OCC(CC)C(O)C
-14800	mol	CCC(OC(C)C)CC(O)C
-14801	mol	CC(C)OC(C)CCC(O)=O
-14802	mol	CC(C)OCC(CC)C(O)=O
-14803	mol	CCC(O)(C(C)C)CC(O)=O
-14804	mol	CCC(OC(C(C)C=C)=O)=O
-14805	mol	CCCOC(C)CCC(O)=O
-14806	mol	CCCOCC(CC)C(O)=O
-14807	mol	CCC(O)CCCC(N)N
-14808	mol	CCCOCCCCO
-14809	mol	CC(C=O)=C(C#C)C=O
-14810	mol	CC(C(O)(C)C=C)C=O
-14811	mol	CC(C)(OC#C)C(C)=O
-14812	mol	CC(C)OC(CC)C=O
-14813	mol	CC(C)OCC(C)C=O
-14814	mol	CC(COC#C)CC=O
-14815	mol	CCC(O)=C(CC)C=O
-14816	mol	CCC(O)(C(C)C)C=O
-14817	mol	CCC(O)(C)CCC=O
-14818	mol	CCC(O)(CC)CC=O
-14819	mol	CCC(O)C(C)CC=O
-14820	mol	CCC(O)C(CC)C=O
-14821	mol	CCC(O)CC(C)C=O
-14822	mol	CCC(O)CCCC=O
-14823	mol	CCCOC(C(C)C)=O
-14824	mol	CCCOC(C)(C)C=O
-14825	mol	CCCOC(C)CC=O
-14826	mol	CCCOC(CCC)=O
-14827	mol	CCCOCC(C)C=O
-14828	mol	CCC(O)C(C)CC(O)C
-14829	mol	CCC(O)(CCCC=O)c1ccccc1
-14830	mol	CCCOC(C)C(C)OCC
-14831	mol	CC(C)OCC(CC)OC(C)C
-14832	mol	CC(C)OC(C)(CC=O)C=O
-14833	mol	CC(C)OCC(CC)OC=O
-14834	mol	CCC(O)(CCCC=O)C=O
-14835	mol	CCC(O)CC(CC=O)C=O
-14836	mol	CCC(OC(C)C)COC=O
-14837	mol	CCC(O)=C(C(C)C)OC(O)=O
-14838	mol	CCC(O)CC(CC=O)C(O)=O
-14839	mol	CC(C=O)C(C=C)C(O)=O
-14840	mol	CC(C=O)CC#CC(O)=O
-14841	mol	CC(C(O)C#C)CC(O)=O
-14842	mol	CCC(O)=C(CC)C(O)=O
-14843	mol	CCC(O)(CC=C)C(O)=O
-14844	mol	CCC(O)C(C)CC(O)=O
-14845	mol	CCC(O)C(CC)C(O)=O
-14846	mol	CCC(OC(C(C)C)=O)=O
-14847	mol	CC(C)OCC(C)(CO)OC=O
-14848	mol	CC(C)(OC#C)C=O
-14849	mol	CC(C)OC(CC)=O
-14850	mol	CC(C)OC#CC=O
-14851	mol	CCC(=O)C(CC)=O
-14852	mol	CCC(O)=CC=CO
-14853	mol	CCC(O)(CC)C=O
-14854	mol	CCC(O)C(C)C=O
-14855	mol	CCC(O)C(CC)=O
-14856	mol	CCC(O)CCC=O
-14857	mol	CCC(OC=CC)=O
-14858	mol	CCCOC(C)CO
-14859	mol	CCCOC(C)C=O
-14860	mol	CCCOC(CC)=O
-14861	mol	CCCOCCC=O
-14862	mol	CC(C)OCCC(O)C
-14863	mol	CCCOC(C)COC
-14864	mol	CCCOCCC(O)C
-14865	mol	CCC(O)=CC=C(O)C=C
-14866	mol	CCC(O)=CC(=CO)C=C
-14867	mol	CC(C)OCC(C)OC(C)C
-14868	mol	CCC(O)C(CC(O)C)C=C
-14869	mol	CCCOC(C)COC(C)C
-14870	mol	CCC(O)C(C)=C(O)CC(C)C
-14871	mol	CCCOC(C)COC(C)CC
-14872	mol	CCCOC(CCO)CCCC
-14873	mol	CCCOCCCOC(C)CC
-14874	mol	CC(C)OC(C)(CO)C(CC)=O
-14875	mol	CC(C)OCCC(O)CC(O)=O
-14876	mol	CCC(O)(CCC=O)CC(O)=O
-14877	mol	CC(C=O)C(C)(C=O)C=O
-14878	mol	CC(C=O)CCC(=O)C=O
-14879	mol	CC(C)OCC(C)OC=O
-14880	mol	CCC(O)(C)C(CO)C=O
-14881	mol	CCC(O)C(C)COC=O
-14882	mol	CCC(O)CC(C)OC=O
-14883	mol	CCCOCC(C)OC=O
-14884	mol	CC(C=O)C(CC=O)(C=O)c1ccccc1
-14885	mol	CC(C(O)C#C)C(OC=O)C=C
-14886	mol	CCC(O)C(C)C(O)C(O)C=C
-14887	mol	CCC(O)C(C)C(OC=O)C=C
-14888	mol	CC(C=O)CCC(=O)C(O)=O
-14889	mol	CCC(O)(CC)C(=O)C(O)=O
-14890	mol	CC(C=O)C#CC(O)=O
-14891	mol	CCC(=O)C#CC(O)=O
-14892	mol	CCC(O)(C)CC(O)=O
-14893	mol	CCC(O)C(C)C(O)=O
-14894	mol	CCC(OC(CC)=O)=O
-14895	mol	CCC(O)(CCC(O)=O)CC=O
-14896	mol	CCC(O)(C(C)C(O)=O)C=O
-14897	mol	CCC(O)(CCC(O)=O)C=O
-14898	mol	CCC(OC(C)C(O)=O)=O
-14899	mol	CCC(O)CC(N)(N)CC
-14900	mol	CCC(OC(C)N(=O)=O)=O
-14901	mol	CC(C=O)C#CO
-14902	mol	CC(C)OC(C)=O
-14903	mol	CC(C)OCC=O
-14904	mol	CC#COC(C)=O
-14905	mol	CCC(=O)C(C)=O
-14906	mol	CCC(O)=CC=O
-14907	mol	CCC(O)(C)C=O
-14908	mol	CCC(O)C(C)=O
-14909	mol	CCC(O)CC=O
-14910	mol	CCC(OC=C)=O
-14911	mol	CCC(OC#C)=O
-14912	mol	CCCOC(C)=O
-14913	mol	CCCOCC=O
-14914	mol	CCC(O)(C)C(O)C
-14915	mol	CCCOCC(O)C
-14916	mol	CC(C)OC(C=O)c1ccccc1
-14917	mol	CCC(O)C(C=O)c1ccccc1
-14918	mol	CCC(O)C(C)Oc1ccccc1
-14919	mol	CC(C=O)C(C=O)c1occc1
-14920	mol	CCC(O)(C)C(O)C=C
-14921	mol	CCC(O)CC(O)CC
-14922	mol	CCCOC(CO)CC
-14923	mol	CCC(O)CCOC(C)C
-14924	mol	CCCOC(C(O)C)C(C)C
-14925	mol	CCCOC(CO)CCCC
-14926	mol	CCCOCC(O)C(C)CC
-14927	mol	CCCOC(C(O)C)C=O
-14928	mol	CCCOC(CO)CC(O)=O
-14929	mol	CC(C(O)(C)C=O)C=O
-14930	mol	CCC(O)=C(C=O)C=O
-14931	mol	CCC(O)=C(C)OC=O
-14932	mol	CCC(O)(C)COC=O
-14933	mol	CCC(O)C(C=O)C=O
-14934	mol	CCCOC(CO)CO
-14935	mol	CCCOCC(O)(C)OC
-14936	mol	CC(C=O)C(C=O)C(O)=O
-14937	mol	CC(C)(OC(C)=O)C(O)=O
-14938	mol	CCC(O)C(C=O)C(O)=O
-14939	mol	CCC(OC(C(O)C)=O)=O
-14940	mol	CCC(OC#COC=O)=O
-14941	mol	CCC(O)=CC(O)=O
-14942	mol	CCC(O)(C)C(O)=O
-14943	mol	CCC(O)CC(O)=O
-14944	mol	CCC(OC#CO)=O
-14945	mol	CCCOCC(O)=O
-14946	mol	CCCOC(C(O)=O)c1ccccc1
-14947	mol	CCCOCC(O)(OC)CCC
-14948	mol	CCC(O)(CC=O)OC(O)=O
-14949	mol	CCC(O)=CF
-14950	mol	CCC(O)=C(F)C=C
-14951	mol	CCC(O)C(F)(F)C(F)(F)F
-14952	mol	CCC(O)=C(F)O
-14953	mol	CCCOCl
-14954	mol	CCC(O)Cl
-14955	mol	CCC(OCl)=O
-14956	mol	CCC(=O)C#N
-14957	mol	CC(C=O)C(N)(C#N)C=C=C
-14958	mol	CC(C=O)C(N)(C#N)C(O)=O
-14959	mol	CC(C=O)C(N)(C#N)N(=O)=O
-14960	mol	CCC(O)CNC=O
-14961	mol	CCC(O)(C)NN
-14962	mol	CC(C=O)C(N)(N)N(=O)=O
-14963	mol	CCC(OC#N)=O
-14964	mol	C#CC(=O)C=O
-14965	mol	C#CCOC=O
-14966	mol	CC=C(O)C=O
-14967	mol	CC=COC=O
-14968	mol	CC(C=O)C=O
-14969	mol	CC(C)OC=O
-14970	mol	CC#COC=O
-14971	mol	CCC(=O)C=O
-14972	mol	CCC(O)=CO
-14973	mol	CCC(O)C=O
-14974	mol	CCCOC=O
-14975	mol	CCC(O)C(O)C
-14976	mol	CCC(OC=O)=C
-14977	mol	CCCOC(O)C
-14978	mol	CC(C=O)C(=O)c1ccccc1
-14979	mol	CC(C)(OC=O)c1ccccc1
-14980	mol	CCC(O)COc1ccccc1
-14981	mol	CCC(O)=C(O)c1ccccc1
-14982	mol	CCC(OC=O)c1ccccc1
-14983	mol	CCC(O)COC1CCCCC1
-14984	mol	CCC(O)=C(O)C1CCCCC1
-14985	mol	CCC(O)(C)OC1CCCCC1
-14986	mol	CC(C)(OC=O)C1CC=CO1
-14987	mol	CCC(O)=C(O)C1CC=CO1
-14988	mol	CCC(OC=O)C1CC=CO1
-14989	mol	CCC(=O)C(OC1CCCO1)=O
-14990	mol	CCC(O)=C(O)C1C=COC1
-14991	mol	CC(C)OC(=O)c1cocc1
-14992	mol	CCC(O)=C(O)c1cocc1
-14993	mol	CCC(O)(C=O)c1cocc1
-14994	mol	CCC(OC=O)c1cocc1
-14995	mol	CCC(O)=C(O)C1=COCC1
-14996	mol	CCC(O)C(O)c1occc1
-14997	mol	C=C=COC(=O)C=C
-14998	mol	C=C=COC(=O)C#C
-14999	mol	C#CC(=O)C(=O)C=C
-15000	mol	C#CC(=O)C(=O)C#C
-15001	mol	C#CC(OC=O)C=C
-15002	mol	CC(=C)OC(=O)C=C
-15003	mol	CC(C=O)=C(O)C=C
-15004	mol	CC(C(O)C=O)C#C
-15005	mol	CC(C)(OC=O)C=C
-15006	mol	CC(C)(OC=O)C#C
-15007	mol	CC(C)OC(=O)C=C
-15008	mol	CC(C)OC(=O)C#C
-15009	mol	CC(C)OC(O)(C)C
-15010	mol	CC(COC=O)C=C
-15011	mol	CC(COC=O)C#C
-15012	mol	CC#COC(=O)C#C
-15013	mol	CCC(O)=C(O)CC
-15014	mol	CCC(O)=C(O)C=C
-15015	mol	CCC(O)(C)OC#C
-15016	mol	CCC(O)C(O)(C)C
-15017	mol	CCC(OC=O)C=C
-15018	mol	CCCOC(=O)C=C
-15019	mol	CCCOC(=O)C#C
-15020	mol	CCCOC(O)CC
-15021	mol	CCCOC(O)(C)C
-15022	mol	CC(C=O)C(O)(C)c1ccccc1
-15023	mol	CC(COC=O)Cc1ccccc1
-15024	mol	CC(COC=O)CC1CC=CO1
-15025	mol	CC(COC=O)CC1C=COC1
-15026	mol	CCC(OC=O)=CC1C=COC1
-15027	mol	CC(COC=O)Cc1cocc1
-15028	mol	CCC(OC=O)=Cc1cocc1
-15029	mol	CCC(OC=O)=Cc1occc1
-15030	mol	C=C=COC(=O)C=C=C
-15031	mol	CC(COC=O)CC=C
-15032	mol	CC(COC=O)CC#C
-15033	mol	CCC(O)=C(O)C(C)C
-15034	mol	CCC(O)C(O)(C)CC
-15035	mol	CCC(O)C(O)(C)C=C
-15036	mol	CCC(O)COC(C)C
-15037	mol	CCC(OC=O)CC=C
-15038	mol	C#CC(OC=O)C#CC#C
-15039	mol	CC(C(OC=O)C#C)C#C
-15040	mol	CC(COC=O)C=CC#C
-15041	mol	CCC(O)C(O)(C=C)C=C
-15042	mol	CCC(O)COC(C)CC
-15043	mol	CCC(O)COCC(C)C
-15044	mol	CCC(OC=O)(C#C)C#C
-15045	mol	CCC(O)C(O)(C)C(C)CC
-15046	mol	CCC(O)C(O)(C)CC(C)C
-15047	mol	CCCOC(O)(C)CCCC
-15048	mol	CCCOC(O)(CC)CCC
-15049	mol	CCCOC(OCC)CCC
-15050	mol	CCC(O)C(O)(CC(C)C)C=C
-15051	mol	CCCOC(O)C(C)CCCC
-15052	mol	CCC(O)C(O)(C(C)C)C=O
-15053	mol	CCC(OC=O)C(CC)C=O
-15054	mol	CCCOC(OC(C)CC)=O
-15055	mol	CC(C)OC(=O)C=CC=O
-15056	mol	CCC(O)(C=O)C(CC)=O
-15057	mol	CCC(O)C(=O)C(CC)=O
-15058	mol	CCC(O)COC(CC)=O
-15059	mol	CC(COC=O)CC#COC=O
-15060	mol	CCC(OC=O)C(CC=O)C=O
-15061	mol	CC(C)OC(O)C(C)C(O)=O
-15062	mol	CCC(OC(OC(CC)=O)=O)=O
-15063	mol	CCC(OC=O)=C=CF
-15064	mol	C#CC(OC(=O)C=C)=O
-15065	mol	C#CC(OC(=O)C#C)=O
-15066	mol	CC(C)(OC=O)CC=O
-15067	mol	CC(COC=O)CC=O
-15068	mol	CCC(O)=C(O)C=CO
-15069	mol	CCC(O)(C(O)C)C=O
-15070	mol	CCC(O)C(O)CC=O
-15071	mol	CCC(OC=O)CC=O
-15072	mol	CCCOC(=O)C(C)=O
-15073	mol	CCCOC(O)(C)CO
-15074	mol	CCC(O)C(O)(CC(O)C)C=C
-15075	mol	CC(COC=O)CC(O)=O
-15076	mol	CCC(OC=O)CC(O)=O
-15077	mol	CC(C)(OC=O)C(N)C=O
-15078	mol	CCC(OC=O)C(N)C=O
-15079	mol	CC(COC=O)CN(=O)=O
-15080	mol	C#CC(=O)C(=O)C=O
-15081	mol	CC=COC(=O)C=O
-15082	mol	CC(=C)OC(=O)C=O
-15083	mol	CC(C=O)C(=O)C=O
-15084	mol	CC(C)(OC=O)C=O
-15085	mol	CC(C)OC(=O)C=O
-15086	mol	CC(C)OC(O)C=O
-15087	mol	CC(COC=O)C=O
-15088	mol	CCC(O)=C(O)C=O
-15089	mol	CCC(O)=COC=O
-15090	mol	CCC(O)(C=O)C=O
-15091	mol	CCC(O)(C)OC=O
-15092	mol	CCC(O)C(O)C=O
-15093	mol	CCC(O)COC=O
-15094	mol	CCC(OC=O)=CO
-15095	mol	CCC(OC=O)C=O
-15096	mol	CCC(OC(O)=C)=O
-15097	mol	CCCOC(=O)C=O
-15098	mol	CCC(OC=O)=C(O)C
-15099	mol	CCC(O)COC(=O)C=C=C
-15100	mol	CC(C(OC=O)C=O)C=O
-15101	mol	CC(C)OC(=O)C(OC)=O
-15102	mol	CC(COC=O)COC=O
-15103	mol	CCC(O)C(O)(C=O)C=O
-15104	mol	CCC(OC=O)(C=O)C=O
-15105	mol	CC(C)(OC=O)C(OC=O)=C
-15106	mol	CCC(OC=O)=COC(=O)C=O
-15107	mol	CC(C)OC(=O)C(OC=O)=O
-15108	mol	CCC(O)C(O)(C=O)C(O)=O
-15109	mol	CC(C)OC(=O)C(ON)=O
-15110	mol	CC=COC(OC=O)=O
-15111	mol	CC(C)(OC=O)C(O)=O
-15112	mol	CC(C)OC(=O)C(O)=O
-15113	mol	CC(C)OC(OC=O)=O
-15114	mol	CC(COC=O)C(O)=O
-15115	mol	CC#COC(OC=O)=O
-15116	mol	CCC(=O)C(OC=O)=O
-15117	mol	CCC(O)=C(O)C(O)=O
-15118	mol	CCC(O)=COC(O)=O
-15119	mol	CCC(O)(C=O)C(O)=O
-15120	mol	CCC(O)(C)OC(O)=O
-15121	mol	CCC(OC=O)=C(O)O
-15122	mol	CCC(OC=O)C(O)=O
-15123	mol	CCCOC(=O)C(O)=O
-15124	mol	CCCOC(OC=O)=O
-15125	mol	CC(COC=O)C(O)OC=O
-15126	mol	CC(C)OC(=O)C(OO)=O
-15127	mol	CCC(OC(OC=O)=O)=O
-15128	mol	CC(COC=O)C[Si](F)(Br)C=O
-15129	mol	CC(COC=O)C[SiH](Br)C=O
-15130	mol	CCCOC(=O)N
-15131	mol	CC(C)OC(=O)N(CC)C=O
-15132	mol	CC(C)OC(=O)NC=O
-15133	mol	CCCOC(=O)NC=O
-15134	mol	CC(C)OC(=O)N(=O)=O
-15135	mol	CCC(OC=O)N(=O)=O
-15136	mol	CC(C=O)C(O)=O
-15137	mol	CC(C)OC(O)=O
-15138	mol	CC#COC(O)=O
-15139	mol	CCC(=O)C(O)=O
-15140	mol	CCC(O)=C(O)O
-15141	mol	CCC(O)C(O)O
-15142	mol	CCC(O)C(O)=O
-15143	mol	CCC(OC=O)=O
-15144	mol	CCCOC(O)=O
-15145	mol	CCC(O)(C(O)=O)c1cocc1
-15146	mol	CC(C(O)C(O)=O)C#C
-15147	mol	CCC(O)C(O)(O)C=C
-15148	mol	CC(COC(O)=O)CC=C
-15149	mol	CC=C(OC=O)OC=O
-15150	mol	CC(C(O)C(O)=O)C=O
-15151	mol	CC(C)(OC=O)OC=O
-15152	mol	CC(COC=O)OC=O
-15153	mol	CC=C(OC=O)OC(=O)C#C
-15154	mol	CCC(OC=O)(OC=O)C=C
-15155	mol	CC(C(OC=O)OC=O)CC=C
-15156	mol	CCC(OC=O)OC(OC=O)=O
-15157	mol	CCC(O)C(O)(OC=O)OC=O
-15158	mol	CCC(OC(O)=O)=O
-15159	mol	CC(COC(O)=O)OC=O
-15160	mol	C=CC(=O)N
-15161	mol	C#CC(=O)N
-15162	mol	CC=C(O)N
-15163	mol	CCC(=O)N
-15164	mol	CCC(O)N
-15165	mol	CCC(O)(N)C
-15166	mol	C=CC(=O)NC1CCCCC1
-15167	mol	CC(C=O)NC=O
-15168	mol	CCC(=O)NC(O)(C)NN
-15169	mol	CCC(=O)NN
-15170	mol	CCC(O)(N)N
-15171	mol	CCC(O)(N)N(C=O)C(=O)N
-15172	mol	CCC(O)(N)NC(=O)N
-15173	mol	CCC(O)(NN)N(C=O)C(=O)N
-15174	mol	CCC(=O)NO
-15175	mol	CC(C=O)N(=O)=O
-15176	mol	CC=C(O)O
-15177	mol	CCC(O)O
-15178	mol	CCC(O)=O
-15179	mol	CCC(O)(O)C
-15180	mol	CC(C=O)Oc1ccccc1
-15181	mol	CC(C(O)=O)c1ccccc1
-15182	mol	CCC(=O)Oc1ccccc1
-15183	mol	CCC(O)Oc1ccccc1
-15184	mol	CCCOOC1CCCCC1
-15185	mol	CCC(O)(O)C1CCCCC1
-15186	mol	C#CC(OOc1ccccc1)=O
-15187	mol	CC(C)OOc1ccccc1O
-15188	mol	CCC(=O)Oc1ccccc1O
-15189	mol	CCC(O)(O)C1CCCO1
-15190	mol	CC(C(O)=O)c1ccncc1
-15191	mol	CC(C(O)=O)c1cocc1
-15192	mol	CCC(=O)Oc1cocc1
-15193	mol	CC(C(O)=O)c1occc1
-15194	mol	CCC(=O)Oc1occc1
-15195	mol	CCC(O)(O)CC
-15196	mol	CC(C(O)=O)Cc1cc(C)ccc1C=O
-15197	mol	CC(C(O)=O)Cc1cocc1
-15198	mol	CC(C(O)=O)Cc1occc1
-15199	mol	CC(C(O)=O)C=C=C
-15200	mol	CCC(=O)OC=C=C
-15201	mol	CCC(O)(O)C(C)C
-15202	mol	CCC(O)OC(C)C
-15203	mol	CCCOOC(C)C
-15204	mol	CCCOOCCCC
-15205	mol	CCC(=O)OC#CC#C
-15206	mol	CCC(O)(O)CC(C)C
-15207	mol	CCC(O)OC(C)CC
-15208	mol	CC(C(O)=O)Cc(ccc1C)cc1C=O
-15209	mol	CCC(=O)OC=CN
-15210	mol	CC(C(O)=O)C(C)N(=O)=O
-15211	mol	CC#COOC(C)=O
-15212	mol	CCC(OOC#C)=O
-15213	mol	CCC(O)(O)C(F)(O)C
-15214	mol	CC(C(O)=O)CNC=O
-15215	mol	CC(C(O)=O)CN(=O)=O
-15216	mol	C#CCOOC=O
-15217	mol	CC=C(O)OC=O
-15218	mol	CC(C)OOC=O
-15219	mol	CCCOOC=O
-15220	mol	CCC(=O)OC(=O)C#C
-15221	mol	CC(C(O)=O)C(OC=C=C)=O
-15222	mol	CC(C(O)=O)C(OC=O)=O
-15223	mol	CCC(O)OC(O)=O
-15224	mol	CCC(OOOC=O)=O
-15225	mol	CC(C)[Si](F)(C=C=C)C=C=C
-15226	mol	CC(C)[Si](F)(C)C#N
-15227	mol	CC(C)[Si](F)(C#N)C#C
-15228	mol	CC(C)[Si](F)(F)F
-15229	mol	C=C=C[SiH2]c1ccccc1
-15230	mol	C=C=C[SiH2]C1CCCCC1
-15231	mol	C=C=C[SiH2]C1CCCCN1
-15232	mol	C=C=C[SiH2]C1CCCO1
-15233	mol	C=C=C[SiH2]C1CC=CO1
-15234	mol	C=C=C[SiH2]c1cocc1
-15235	mol	CCC[SiH2]c1cocc1
-15236	mol	C=C=C[SiH2]C=C=C
-15237	mol	C=C=C[SiH2]N(=O)=O
-15238	mol	CCC([SiH2]N(=O)=O)=C=C
-15239	mol	CCC[SiH2]O
-15240	mol	C=C=C[SiH2]OC(=O)C#C
-15241	mol	CC=C[SiH3]
-15242	mol	CC(C)[SiH3]
-15243	mol	CC#C[SiH3]
-15244	mol	CCC[SiH3]
-15245	mol	CC(C)([SiH3])c1occc1
-15246	mol	CCC([SiH3])=CC=C
-15247	mol	CC(C)([SiH3])C=CC#C
-15248	mol	CCC([SiH3])c(ccc1)cc1O
-15249	mol	CC(C)([SiH3])CC=O
-15250	mol	CC(C)[SiH](Br)C=O
-15251	mol	CC(C)[SiH](C1CC=CO1)C#N
-15252	mol	CC(C)[SiH](c1cocc1)N(=O)=O
-15253	mol	CC(C)[SiH](C)C1CC=CO1
-15254	mol	C=C=C[SiH](C=C=C)c1cocc1
-15255	mol	CC(C)[SiH](Cl)C=O
-15256	mol	CC(C)[SiH](C#N)C=O
-15257	mol	CCC[SiH](C#N)C(O)=O
-15258	mol	CC(C)[SiH](C=O)C=C
-15259	mol	CCC[SiH](C=O)C=C=C
-15260	mol	CCC[SiH](F)C1CC=CO1
-15261	mol	C=C=C[SiH](N(=O)=O)N(=O)=O
-15262	mol	C=CN
-15263	mol	C#CN
-15264	mol	CC#N
-15265	mol	c(cn1)ccc1c2ccccn2
-15266	mol	C=CN1CCCCC1
-15267	mol	c(cn2)ccc2c1ccccc1
-15268	mol	C(CN2)CCC2c1ccccc1
-15269	mol	C(CN2)CCC2C1CCCCC1
-15270	mol	C(CN2)CCC2c1cccnc1
-15271	mol	C(CN2)CCC2C1CCCO1
-15272	mol	C(CN2)CCC2C1CC=CO1
-15273	mol	C(CN2)CCC2c1ccncc1
-15274	mol	c(cn2)ccc2c1cocc1
-15275	mol	C(CN2)CCC2c1cocc1
-15276	mol	C(CN2)CCC2C1=COCC1
-15277	mol	C(CN2)CCC2[SiH2]C1CC=CO1
-15278	mol	CCNc1ccccc1
-15279	mol	CCNC1CCCCC1
-15280	mol	C=CNC1CCCCC1
-15281	mol	C=CN(c1ccccc1)C(=O)N
-15282	mol	CCN(C1CCCCC1)C(=O)N
-15283	mol	CCN(c1ccccc1)C(O)=O
-15284	mol	CCNC1CCCCCCC1
-15285	mol	C#CNc1ccccn1
-15286	mol	C=CN(c1cocc1)C=C
-15287	mol	CCNCC
-15288	mol	C=CNC=C
-15289	mol	C#CNC=C
-15290	mol	CCN(C)C
-15291	mol	CCNC=C
-15292	mol	CCN(C)c1ccccc1N
-15293	mol	C=CNC(c1ccccc1)=O
-15294	mol	CCNC(c1ccccc1)=O
-15295	mol	C=CNC(C1CCCCC1)=O
-15296	mol	CCNCCC
-15297	mol	CCN(C)CC
-15298	mol	CCN(C)C=C
-15299	mol	CCNC=C=C
-15300	mol	CCNC(C)C
-15301	mol	CCNc(cc1)ccc1N
-15302	mol	CCN(CC)C1CCCCC1
-15303	mol	C=CNC=CC1CCCNC1
-15304	mol	CCNCCCC
-15305	mol	CCN(C)C(C)C
-15306	mol	CCN(CC)CC
-15307	mol	CCN(CC)C=C
-15308	mol	CCNC(C)CC
-15309	mol	CCNC(C)(C)C
-15310	mol	CCNC(C)C=C
-15311	mol	CCNC(CC)=C
-15312	mol	CCN(C(C)C)c1ccccc1
-15313	mol	CCN(C)CCc1ccccc1
-15314	mol	CCNCCCCC
-15315	mol	CCN(C(C)C)C=C
-15316	mol	CCN(C)C(C)CC
-15317	mol	CCN(CC)C(C)C
-15318	mol	CCNC(CC)CC
-15319	mol	CCNCCC(C)C
-15320	mol	CCNCCCCCC
-15321	mol	CCN(C(C)C)C(C)C
-15322	mol	CCNC(CC)CCC
-15323	mol	CCN(C)C(C)(C)C(C)C
-15324	mol	CCN(CC(C)C)C(C)C
-15325	mol	CCNCCCCCCCC
-15326	mol	CCN(C(C)C)C(C)(C)C(C)C
-15327	mol	CCNCCCC(CC)CCC
-15328	mol	CCN(CC)CC(CC)C=O
-15329	mol	CCNC(CC)CCC(N)CC
-15330	mol	CCNCCCC(CC)NCC
-15331	mol	CCNC(CC)CCC(O)CC
-15332	mol	CCN(C)CC(CC)C(O)=O
-15333	mol	CCNC(CCC)C(=O)N
-15334	mol	CCNCCCCN
-15335	mol	CCN(CC)C(C)NC=O
-15336	mol	CCN(C(C)C)C=O
-15337	mol	CCN(C(C)C)N
-15338	mol	CCN(C(C)C)NC(C)C
-15339	mol	CCN(C(C)C)NC=O
-15340	mol	CCN(C(C)C)NN
-15341	mol	CCN(C(C)=C)NNC=O
-15342	mol	CCN(C(C)C)NO
-15343	mol	CCN(C)CC(O)CC
-15344	mol	CCN(CCCOC=O)C(C)C
-15345	mol	CCN(CC)C(=O)N
-15346	mol	CCN(C=C)C(O)=O
-15347	mol	CCN(CC)C(O)=O
-15348	mol	CCN(CCC(O)=O)N
-15349	mol	CCN(CC)N
-15350	mol	CCN(CC)NC1CCCCC1
-15351	mol	CCNCC(N)CC
-15352	mol	CCN(CC)NC(C)C
-15353	mol	CCN(CC)N(CC)C(C)=C
-15354	mol	CCN(CC)N(C(C)C)C(O)=O
-15355	mol	CCN(CC)NC(C)C=O
-15356	mol	CCN(CC)NC(C)(C)OC=O
-15357	mol	CCN(CC)NC(C)COC=O
-15358	mol	CCN(CC)NC=O
-15359	mol	CCN(CC)N(C(O)=O)C(C)=C
-15360	mol	CCN(CC)N(O)C(C)=C
-15361	mol	CCN(C)C=O
-15362	mol	CCN(C)C(=O)C=C
-15363	mol	CCN(CCOC=O)N
-15364	mol	CCN(C)C(=O)N
-15365	mol	CCN(C)C(O)=O
-15366	mol	CCNCl
-15367	mol	CCN(C)N
-15368	mol	CCN(C)NC(C)C
-15369	mol	CCNC(N)CCC
-15370	mol	CCN(C(N)(C)C)NC(C)C
-15371	mol	CCNC=O
-15372	mol	CCN(C=O)C=C
-15373	mol	CCN(C(O)(C)NN)C(CC)=O
-15374	mol	CCNC(=O)C=O
-15375	mol	CC(NC=O)C(=O)N
-15376	mol	CCNC(=O)N
-15377	mol	CC(NC=O)NC=O
-15378	mol	CCN(C(O)(NN)C(O)=O)C(CC)=O
-15379	mol	CCN(C(O)(N)NN)C(CC)=O
-15380	mol	CCNC(O)=O
-15381	mol	CCN(C(O)=O)C(=O)N
-15382	mol	CCN(C(O)=O)C(O)=O
-15383	mol	CCN(C(O)=O)N(CC)C(C)=C
-15384	mol	CCN(C(O)=O)NC=O
-15385	mol	CCN(F)Cl
-15386	mol	CCNN
-15387	mol	C=CNN
-15388	mol	CCN(N)c1ccccc1
-15389	mol	CCNNC1CCCCC1
-15390	mol	CCNNCC
-15391	mol	CCN(N)C(C)=C
-15392	mol	CCNNC(C)C
-15393	mol	CCNN(CC)CC
-15394	mol	CCNN(CC)C(C)C
-15395	mol	CCN(N)C(CC)=CC(O)=O
-15396	mol	CCN(N)C(CC)=CO
-15397	mol	CCN(N)C=O
-15398	mol	CCNNC=O
-15399	mol	CCN(N)C(=O)C(O)=O
-15400	mol	CCNNC(=O)N
-15401	mol	CCNN(C(=O)N)C(=O)N
-15402	mol	CCN(N)C(O)=O
-15403	mol	C=CNNN
-15404	mol	CCN(N)N
-15405	mol	CCNN(N)C(=O)N
-15406	mol	CCN(NO)C(C)=C
-15407	mol	CCNN(O)C(C)C
-15408	mol	CCN(O)C
-15409	mol	CCN(O)c1ccccc1
-15410	mol	CCN(OC1CCCCC1)N
-15411	mol	CCN(O)CC
-15412	mol	CCN(O)C=C
-15413	mol	CCN(O)C(C)CC
-15414	mol	CCN(O)C(CC)=C
-15415	mol	CCN(O)CC(C)CC
-15416	mol	CCN(O)CC(C)CCC=C
-15417	mol	CCNOC(C(C)CCC)=O
-15418	mol	CCN(O)CC(N)CC
-15419	mol	CCN(O)C#N
-15420	mol	CCN(O)C=O
-15421	mol	CCN(OC=O)c1ccccc1
-15422	mol	CCN(O)C(=O)C=C
-15423	mol	CCN(O)C(=O)C=O
-15424	mol	CCN(O)C(=O)N
-15425	mol	CCN(O)C(O)=O
-15426	mol	CCN(O)N
-15427	mol	CCN(O)NC(C)C
-15428	mol	CCN(O)NC=O
-15429	mol	CCNONN
-15430	mol	C=CN(=O)=O
-15431	mol	C#CN(=O)=O
-15432	mol	CCN(=O)=O
-15433	mol	CC=O
-15434	mol	c(coc1c2cocc2)c1
-15435	mol	c(coc1c2occc2)c1
-15436	mol	CC(OC1)=CC1C=C
-15437	mol	CC(OC1)CC1(O)C#C
-15438	mol	c(coc1C=Cc2occc2)c1
-15439	mol	CCOc1ccccc1
-15440	mol	C=COc1ccccc1
-15441	mol	C#COc1ccccc1
-15442	mol	CC(=O)c1ccccc1
-15443	mol	CCOC1CCCCC1
-15444	mol	C=COC1CCCCC1
-15445	mol	C#COC1CCCCC1
-15446	mol	CCOc1ccccc1C
-15447	mol	CC(=O)c1ccccc1C
-15448	mol	CCOC1CCCCC1C
-15449	mol	CCOc1ccccc1CC
-15450	mol	C=COc1ccccc1C#C
-15451	mol	C#COc1ccccc1C#C
-15452	mol	CC(=O)c1ccccc1C#C
-15453	mol	CCOC1CCCCC1CC
-15454	mol	C#COC1CCCCC1C#C
-15455	mol	CC(OC1CCCCC1)C=C
-15456	mol	CCOc1ccccc1CCC
-15457	mol	CC(OC1CCCCC1)CC=C
-15458	mol	CCOC1CCCCC1C(C)C
-15459	mol	CC(OC1CCCCC1)CC=O
-15460	mol	CC(OC1CCCCC1)C=O
-15461	mol	CCOC1CC(CCC1)C=O
-15462	mol	CCOC1CCC(CC1)C=O
-15463	mol	CCOC1CCCCC1C=O
-15464	mol	C=COc1ccccc1O
-15465	mol	C#COc1ccccc1O
-15466	mol	CC(=O)c1ccccc1O
-15467	mol	CCOC1CCCCC1O
-15468	mol	CC(OC1CCCCC1)=O
-15469	mol	CCOc1ccccc1OC=O
-15470	mol	C#COC1CCCCC1OC=O
-15471	mol	CC(=O)c1cc(C)ccc1O
-15472	mol	C#COc1c(C#C)cccc1O
-15473	mol	CCOC1CCC(CCC)CC1
-15474	mol	C#COc1cc(C=C)co1
-15475	mol	C=COc1cc(C=C)oc1
-15476	mol	C#COc1cc(C#C)oc1
-15477	mol	C=COC1CCCO1
-15478	mol	C=COC1CC=CO1
-15479	mol	C#COC1CCCO1
-15480	mol	C#COC1CC=CO1
-15481	mol	CCOC1CC=CO1
-15482	mol	C#COC1(CC=CO1)C#C
-15483	mol	C#COC1(CCCO1)C=C
-15484	mol	C#COC1(CCCO1)C#C
-15485	mol	CC(=O)C1(CC=CO1)C=C=C
-15486	mol	C#COC1(CC=CO1)C=O
-15487	mol	CC(OC1CC=CO1)=O
-15488	mol	CC(OC1CCCO1)=O
-15489	mol	CC(=O)c1ccc(O)cc1C
-15490	mol	C#COc1cc(C(O)=O)co1
-15491	mol	CCOc1ccncc1
-15492	mol	C=COC1CCOC1
-15493	mol	C#COC1C=COC1
-15494	mol	C=COc1ccoc1C=C
-15495	mol	C=COc1ccoc1C#C
-15496	mol	C#COc1ccoc1C#C
-15497	mol	CCOc1ccoc1C=C
-15498	mol	CC(=O)c1ccoc1C(O)=O
-15499	mol	CC(=O)c1ccoc1O
-15500	mol	CCOC1CC(O)CCC1CC
-15501	mol	CC(OC1(C#N)C#N)=CC1
-15502	mol	CCOc1cocc1
-15503	mol	C=COc1cocc1
-15504	mol	C#COc1cocc1
-15505	mol	CC(=O)c1cocc1
-15506	mol	CC(=O)C1=COCC1
-15507	mol	CC(OC1C=O)=CC1
-15508	mol	Cc(oc1O)cc1C=C
-15509	mol	Cc(oc1O)cc1C=O
-15510	mol	CCOc1occc1
-15511	mol	C=COc1occc1
-15512	mol	C#COc1occc1
-15513	mol	CC(=O)c1occc1
-15514	mol	C#COc1occc1OC=O
-15515	mol	CC(OC2C1CC=CO1)=CC2
-15516	mol	c(coc2c1cocc1)c2
-15517	mol	c(coc2c1occc1)c2
-15518	mol	Cc(oc2C)cc2C1CC=CO1
-15519	mol	Cc(oc2C)cc2C1=COCC1
-15520	mol	Cc(oc2Cl)cc2c1cocc1
-15521	mol	Cc(oc2O)cc2c1occc1
-15522	mol	CCOCC
-15523	mol	C=COC=C
-15524	mol	C#COC=C
-15525	mol	C#COC#C
-15526	mol	CC(=O)C=C
-15527	mol	CC(=O)C#C
-15528	mol	CCOC=C
-15529	mol	CCOC#C
-15530	mol	CCOCc1ccccc1
-15531	mol	C#COCc1ccccc1
-15532	mol	CC(=O)Cc1ccccc1
-15533	mol	C#COCC1CCCCC1
-15534	mol	CCOC(C1CCCCC1)C=O
-15535	mol	C=COC(C1CCCCC1)=O
-15536	mol	C#COC(C1CCCCC1)=O
-15537	mol	CC(=O)C(C1CCCCC1)=O
-15538	mol	CCOC(C1CCCCC1)=O
-15539	mol	CC(OC(C1CCCCC1)=O)=O
-15540	mol	C=COC(C1CC=CO1)=C
-15541	mol	C#COC(C1CCCO1)C#C
-15542	mol	C#COC(C1CC=CO1)=CC=C
-15543	mol	C=COC(C1CC=CO1)=O
-15544	mol	C=COC(C1CCCO1)=O
-15545	mol	C#COC(C1CC=CO1)=O
-15546	mol	C#COC(C1CCCO1)=O
-15547	mol	CCOC(C1CCCO1)=O
-15548	mol	C#COCC1C=COC1
-15549	mol	C#COC(C1CCOC1)C#C
-15550	mol	C=COC(C1C=COC1)=O
-15551	mol	C=COC(C1CCOC1)=O
-15552	mol	C#COC(C1C=COC1)=O
-15553	mol	C#COC(C1CCOC1)=O
-15554	mol	CCOC(C1CCOC1)=O
-15555	mol	CC(OC(C1CCOC1)=O)=O
-15556	mol	C#COCc1cocc1
-15557	mol	C=COC(c1cocc1)=CC#C
-15558	mol	C=COC(c1occc1)=CC#C
-15559	mol	CCOCCC
-15560	mol	C=COC=C=C
-15561	mol	C=COCC=C
-15562	mol	C#COC=C=C
-15563	mol	C#COCC=C
-15564	mol	C#COCC#C
-15565	mol	CC(=O)C=C=C
-15566	mol	CC(OC=C)=C
-15567	mol	CCOC=C=C
-15568	mol	CCOC(C)C
-15569	mol	CCOC#CC
-15570	mol	CC(=O)c(cc1)ccc1C
-15571	mol	CCOc(cc1)ccc1N
-15572	mol	C=COC=Cc1ccccc1
-15573	mol	C=COC(=C)c1ccccc1
-15574	mol	C#COCCc1ccccc1
-15575	mol	C#COC=Cc1ccccc1
-15576	mol	C#COC#Cc1ccccc1
-15577	mol	CC(OC#C)c1ccccc1
-15578	mol	C#COC=CC1CCCCC1
-15579	mol	C#COC#CC1CCCCC1
-15580	mol	CCOC(C)(C1CCCCC1)C=O
-15581	mol	C=COC=Cc1ccccc1O
-15582	mol	C#COC=Cc1ccccc1O
-15583	mol	C#COC(=C)c1ccccc1O
-15584	mol	C#COC#Cc1ccccc1O
-15585	mol	CC(OC#C)c1ccccc1O
-15586	mol	CC(OC#Cc1ccccc1)=O
-15587	mol	CC(=O)C(CC1CCCCC1)=O
-15588	mol	CC(OC#CC1CCCCC1)=O
-15589	mol	C#COC=CC1CCCO1
-15590	mol	C#COC=CC1CC=CO1
-15591	mol	C#COC#CC1CCCO1
-15592	mol	C#COC#CC1CC=CO1
-15593	mol	C#COC(=CC1CCCO1)C=C
-15594	mol	C#COC(CC1CC=CO1)C#C
-15595	mol	C=COC#CC1CCOC1
-15596	mol	C#COC#CC1CCOC1
-15597	mol	C#COC#CC1C=COC1
-15598	mol	CC(=O)C=CC1C=COC1
-15599	mol	C=COC=C(C1C=COC1)C#C
-15600	mol	C#COC=C(C1C=COC1)C=C
-15601	mol	C#COC=C(C1CCOC1)C=C
-15602	mol	C=COC(=C)c1cocc1
-15603	mol	C#COC=Cc1cocc1
-15604	mol	C#COC#Cc1cocc1
-15605	mol	C#COC(=C)C1=COCC1
-15606	mol	C#COC#CC1=COCC1
-15607	mol	C=COC=Cc1occc1
-15608	mol	C=COC#Cc1occc1
-15609	mol	C#COC#Cc1occc1
-15610	mol	C=COC=C(c1occc1)C#C
-15611	mol	CC(=O)c(cc1O)c(C)cc1O
-15612	mol	CCOCCCC
-15613	mol	C=COC=CC=C
-15614	mol	C=COC=CC#C
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-15616	mol	C=COC#CC=C
-15617	mol	C=COC#CC#C
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-15619	mol	C#COC=CC#C
-15620	mol	C#COC(=C)C=C
-15621	mol	C#COC(=C)C#C
-15622	mol	C#COC#CC=C
-15623	mol	C#COC#CC#C
-15624	mol	C#COCCC=C
-15625	mol	CC(=O)C(=C)C#C
-15626	mol	CC(=O)C#CC=C
-15627	mol	CC(=O)C#CC#C
-15628	mol	CC(OC=C)C=C
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-15631	mol	CCOC=CC=C
-15632	mol	CCOC=CC#C
-15633	mol	CCOC(C)CC
-15634	mol	CCOC(C)C=C
-15635	mol	CCOC#CCC
-15636	mol	CCOC#CC=C
-15637	mol	CCOCC(C)C
-15638	mol	CCOCCC=C
-15639	mol	CCOC(CCC1)CC1C
-15640	mol	C#COc(ccc1)cc1O
-15641	mol	CCOc(ccc1)cc1O
-15642	mol	CCOCCCc1ccccc1
-15643	mol	C#COC(C#C)c1ccccc1
-15644	mol	CCOC(C)Cc1ccccc1
-15645	mol	CCOC(CC)c1ccccc1
-15646	mol	CCOCC(C)c1ccccc1
-15647	mol	CCOCCCC1CCCCC1
-15648	mol	CCOC(C)CC1CCCCC1
-15649	mol	CCOC(CC)C1CCCCC1
-15650	mol	C#COC(CCC1CCOC1)=O
-15651	mol	C#COC(CCc1cocc1)=O
-15652	mol	CCOc(ccc1F)c(F)c1F
-15653	mol	C#COC(C#C)c1occc1
-15654	mol	CCOc(ccc1O)c(C=O)c1C
-15655	mol	CCOCCCCC
-15656	mol	C=COC=C(C)C#C
-15657	mol	C=COC(=CC)C#C
-15658	mol	C#COC(C#C)C#C
-15659	mol	CCOC=CCCC
-15660	mol	CCOC(C)CCC
-15661	mol	CCOC(C)(C)CC
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-15663	mol	CCOC(CC)CC
-15664	mol	CCOCC(C)CC
-15665	mol	CCOCC(C)(C)C
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-15667	mol	CCOc(cccc1C)c1C=O
-15668	mol	CCOc(cccc1CC)c1C=O
-15669	mol	C=COC(=C)c(cc1)ccc1O
-15670	mol	C=COC#Cc(cc1)ccc1O
-15671	mol	C#COC#Cc(cc1)ccc1O
-15672	mol	CCOC(C)CCc1ccccc1
-15673	mol	CCOC(C)C(C)c1ccccc1
-15674	mol	CCOC(CCC)(C1CCCCC1)C=O
-15675	mol	CCOCC(C)CC1CCOC1
-15676	mol	CCOC(CCCC1O)C1C
-15677	mol	C#COc(cccc1O)c1C=O
-15678	mol	CC(=O)c(cccc1O)c1O
-15679	mol	CCOc(cccc1OC)c1C
-15680	mol	CCOCCCCCC
-15681	mol	C=COC=CC=CC=C
-15682	mol	C=COC(C=C)=CC=C
-15683	mol	C#COC=C(C#C)C#C
-15684	mol	C#COC(C#C)=CC#C
-15685	mol	C#COC(CC=C)C#C
-15686	mol	C#COC#CC#CC=C
-15687	mol	CCOC(C)(C)CCC
-15688	mol	CCOC(C)(C)C(C)C
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-15691	mol	CCOC(C)CC(C)C
-15692	mol	CCOC(CC)CCC
-15693	mol	CCOCC(C)CCC
-15694	mol	CCOCC(C)(C)CC
-15695	mol	CCOCC(C)C(C)C
-15696	mol	CCOCCC(C)CC
-15697	mol	C#COC#Cc(ccc1)cc1O
-15698	mol	CCOC=C(CCC)C=C
-15699	mol	CCOC(C)C(C)CCC
-15700	mol	CCOC(C)C(C)C(C)C
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-15702	mol	CCOC(CC)(CC)CC
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-15704	mol	CCOCC(C)CCCC
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-15706	mol	CCOCC(CC)CCC
-15707	mol	CCOCC(CC)C(C)C
-15708	mol	CCOC(C)C(CCC)c1ccccc1
-15709	mol	CCOCCCCCCCC
-15710	mol	C=COC(=CC=C)C=CC=C
-15711	mol	CCOC(C)(CC)C(C)CC
-15712	mol	CCOC(C)C(C)C(C)CC
-15713	mol	CCOC(CC)(CC)CCC
-15714	mol	CCOC(CC)(CC)C(C)C
-15715	mol	CCOC(CCC)C(C)CC
-15716	mol	CCOC(CCC)CC(C)C
-15717	mol	CCOC(C)C(C)(C)C(C)CC
-15718	mol	CCOC(C)C(C)CC(C)CC
-15719	mol	CCOC(CC)(CC)C(C)CC
-15720	mol	CCOC(C(CC)C(C)C(C)C)C=O
-15721	mol	CCOC(C(CC)C(C)C)CCC=O
-15722	mol	CCOC(C)C(C(C)C)CC=O
-15723	mol	CCOC(C)C(C)C(C)CCO
-15724	mol	CCOC(C)CCC(CCC)=O
-15725	mol	CCOC(CC(C)C(C)C)C=O
-15726	mol	CCOC(CC(CC)CC)C=O
-15727	mol	CCOC(CC)(C(C)CC)C=O
-15728	mol	CCOC(CC)(CC)C(CC)=O
-15729	mol	CCOC(CC)(CC)CCC=O
-15730	mol	CCOC(CC)C(C)(CC)C=O
-15731	mol	CCOC(CCC)C(CC)C=O
-15732	mol	CCOCC(CC)(CCC)C=O
-15733	mol	CCOC(C(CC)CC)C=O
-15734	mol	CCOC(C)(C(C)CC)C=O
-15735	mol	CCOC(CC(C)CC)C=O
-15736	mol	CCOC(CC)(C(C)C)C=O
-15737	mol	CCOC(CC)(CCC)C=O
-15738	mol	CCOC(CC)C(CC)C=O
-15739	mol	CCOC(CCC)C(C)C=O
-15740	mol	CCOCC(CC)(CC)C=O
-15741	mol	CCOC(C)(C(C)C)C=O
-15742	mol	CCOC(C)(CCC)C=O
-15743	mol	CCOC(C)C(C)CC=O
-15744	mol	CCOC(C)C(CC)C=O
-15745	mol	CCOC(C)CC(C)C=O
-15746	mol	CCOC(CC)(CC)C=O
-15747	mol	CCOC(CC)C(C)C=O
-15748	mol	CCOCC(C)(C)CC=O
-15749	mol	CCOCCC(C)CC=O
-15750	mol	CCOCCC(CCC)=O
-15751	mol	CCOC(C(C)CC)(C=O)C=O
-15752	mol	CCOC(C)(CCC)C(O)=O
-15753	mol	CCOC(CC)(CC)C(O)=O
-15754	mol	CCOC(CCC)CC(O)=O
-15755	mol	CCOCCC(CC)C(O)=O
-15756	mol	C#COC=C(C#C)C=O
-15757	mol	C#COC(C#C)=CC=O
-15758	mol	C#COC#CC(CC)=O
-15759	mol	CCOC(C(C)C)C=O
-15760	mol	CCOC(C(C)C#C)=O
-15761	mol	CCOC(C(C)CC)=O
-15762	mol	CCOC(C)(C)C(C)=O
-15763	mol	CCOC(C)(C)CC=O
-15764	mol	CCOC(C)(CC)C=O
-15765	mol	CCOC(C)C(C)C=O
-15766	mol	CCOC(CC(C)C)=O
-15767	mol	CCOC(CC)CC=O
-15768	mol	CCOCC(C)(C)C=O
-15769	mol	CCOCCC(C)C=O
-15770	mol	CCOCCCCC=O
-15771	mol	CCOC(C)(C)C(C=O)C=O
-15772	mol	CCOC(CC)C(C=O)C=O
-15773	mol	C=COC=C(C=C)C(O)=O
-15774	mol	C=COC=C(C#C)C(O)=O
-15775	mol	CCOC(C)(CC)C(O)=O
-15776	mol	CCOC(C)C(C)C(O)=O
-15777	mol	CCOC(C)CCC(O)=O
-15778	mol	CCOC(CCC)C(O)O
-15779	mol	CCOC(CCC)C(O)=O
-15780	mol	CCOCC(CC)C(O)=O
-15781	mol	CCOCCCCC(O)=O
-15782	mol	CCOCCCCO
-15783	mol	C#COC=CC#CO
-15784	mol	C#COC(C#C)C=O
-15785	mol	C#COC(CC=C)=O
-15786	mol	C#COC(CC#C)=O
-15787	mol	C#COCCCC=O
-15788	mol	CCOC(C(C)C)=O
-15789	mol	CCOC(C)CCO
-15790	mol	CCOC(C)(C)CO
-15791	mol	CCOC(C)(C)C=O
-15792	mol	CCOC(C)CC=O
-15793	mol	CCOC(CC)C=O
-15794	mol	CCOC(CCC)=O
-15795	mol	CCOCC(C)CO
-15796	mol	CCOCC(C)C=O
-15797	mol	CCOC(C)(C)C(O)C
-15798	mol	CCOC(C)C(C)OC
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-15800	mol	CCOC(CCC)OC(C)C
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-15802	mol	CCOC(C)(C)COC(C)CC
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-15804	mol	CCOC(CCC)OC(C)CC
-15805	mol	CCOCCC(C)OC(C)CC
-15806	mol	CCOC(CC)(C=O)C(CC)=O
-15807	mol	CCOC(CC)C(OCC)C=O
-15808	mol	CC(OC(C)CC=O)CC=O
-15809	mol	CC(OCC(C)C=O)CC=O
-15810	mol	CCOC(C)(C)C(=O)C=O
-15811	mol	CCOC(C)(C)COC=O
-15812	mol	CCOC(C)C(C=O)C=O
-15813	mol	CCOC(C)C(C)OC=O
-15814	mol	CCOC(CC)(C=O)C=O
-15815	mol	CCOCCC(CO)C=O
-15816	mol	CCOCCCC(O)C=O
-15817	mol	CCOC(C)(C)COC(O)=O
-15818	mol	CCOC(C)(C)C(O)=O
-15819	mol	CCOC(C)CC(O)=O
-15820	mol	CCOC(CC)C(O)=O
-15821	mol	CCOCCCC(O)=O
-15822	mol	C=COC#CC(F)=C
-15823	mol	CCOCCC(N)C
-15824	mol	CCOC(CCN)=O
-15825	mol	CCOCCCO
-15826	mol	C=COC=CC=O
-15827	mol	C=COC#CC=O
-15828	mol	C#COC=CC=O
-15829	mol	C#COC#CC=O
-15830	mol	C#COCCC=O
-15831	mol	CC(=O)C=CC=O
-15832	mol	CC(OC=C)C=O
-15833	mol	CC(OC(C)=C)=O
-15834	mol	CC(OC#C)C=O
-15835	mol	CCOC(C)CO
-15836	mol	CCOC(C)C=O
-15837	mol	CCOC(CC)=O
-15838	mol	CCOC#CC=O
-15839	mol	CCOC(C)C(O)C
-15840	mol	C#COC=C(C)OC=C
-15841	mol	C#COC#CC(=O)C#C
-15842	mol	C#COCCCOC#C
-15843	mol	CCOC(C)(C)OCC
-15844	mol	CCOC(CC)OCC
-15845	mol	CCOCC(C)OCC
-15846	mol	CCOCC(CO)C(C)C
-15847	mol	CCOCCC(O)(C)CC
-15848	mol	CCOC(C)(C=O)C(C)c1ccccc1
-15849	mol	C#COC(=C(C)OC=C)C=C
-15850	mol	CCOC(C)(C)OC(C)CC
-15851	mol	CCOC(C)COC(C)CC
-15852	mol	CCOCCCOC(C)CC
-15853	mol	CCOC(CC(O)(C)C(C)C)C=O
-15854	mol	CCOC(C)COC(CCC)=O
-15855	mol	CCOC(C(C)OC)CC=O
-15856	mol	CCOC(C)C(OCC)C=O
-15857	mol	CCOC(C)(CO)CC=O
-15858	mol	CCOC(C)(C=O)C=O
-15859	mol	CCOC(C)COC=O
-15860	mol	CCOC(CC(O)C)=O
-15861	mol	CCOC(C)(C=O)C(O)=O
-15862	mol	CCOC(C)COC(O)=O
-15863	mol	C=COC=CC(O)=O
-15864	mol	C=COC#CC(O)=O
-15865	mol	C#COC=CC(O)=O
-15866	mol	C#COC(=C)C(O)=O
-15867	mol	C#COC(CC=O)=O
-15868	mol	C#COC#CC(O)=O
-15869	mol	CC(OC=C)C(O)=O
-15870	mol	CCOC(C)C(O)=O
-15871	mol	CCOC#CC(O)=O
-15872	mol	CCOC(C)C(O)OC
-15873	mol	CCOC(C)(CO)OC(C)CC
-15874	mol	CCOC(C)C(O)OC(C)CC
-15875	mol	CCOC(C)C(O)OC=O
-15876	mol	CCOCC(F)F
-15877	mol	CC(OC(Cl)=O)c1occc1
-15878	mol	CC(=O)C(C)=O
-15879	mol	CC(OC=C)=O
-15880	mol	CC(OC#C)=O
-15881	mol	CCOC(C)=O
-15882	mol	CCOC#CO
-15883	mol	CCOCC=O
-15884	mol	C=COc(co1)cc1C
-15885	mol	CC(=O)c(co1)cc1C=O
-15886	mol	CCOCC(O)C
-15887	mol	CC(=O)C(C=O)c1ccccc1
-15888	mol	C=COC=COC1CCCO1
-15889	mol	C#COC=C(O)C1C=COC1
-15890	mol	C=COC=C(O)C=C
-15891	mol	C=COC=COC=C
-15892	mol	C=COC(=CO)C=C
-15893	mol	C#COC=COC=C
-15894	mol	CC(OC#C)OC#C
-15895	mol	CCOC(CO)CC
-15896	mol	CCOCC(O)CC
-15897	mol	C=COC(C=O)=CC=C
-15898	mol	CCOC(CO)CCC
-15899	mol	CCOCC(O)(C)C(C)C
-15900	mol	CCOC(C(O)C)C=O
-15901	mol	CCOC(CO)C(C)OC
-15902	mol	C#COC=COC=O
-15903	mol	C#COC#COC=O
-15904	mol	CCOC(C=O)C=O
-15905	mol	C#COC=C(OC=O)C#C
-15906	mol	C#COC(C(OC=O)C#C)=O
-15907	mol	CCOC(CO)COC=O
-15908	mol	CC(OC#COC=O)=O
-15909	mol	CCOCC(O)=O
-15910	mol	C#COC(C(O)=O)=CC=C
-15911	mol	C#COC(C(O)=O)=CC#C
-15912	mol	CCOC(C(O)O)CC=O
-15913	mol	CCOCl
-15914	mol	C#COC=O
-15915	mol	CC(=O)C=O
-15916	mol	CCOC=O
-15917	mol	CC(OC=O)=C
-15918	mol	CCOC(O)C
-15919	mol	CC(=O)c(oc1)cc1C=O
-15920	mol	C=COC(=O)c1ccccc1
-15921	mol	C#COC(=O)c1ccccc1
-15922	mol	CC(OC=O)c1ccccc1
-15923	mol	CCOC(=O)c1ccccc1
-15924	mol	CCOC(O)C1CCCCC1
-15925	mol	C#COC(=O)c1ccccc1O
-15926	mol	C#COC(=O)C1=CCCO1
-15927	mol	CC(OC=O)C1CC=CO1
-15928	mol	CC(OC=O)(C1CC=CO1)C=C
-15929	mol	C=COC(=O)c1ccoc1O
-15930	mol	C=COC(=O)c1cocc1
-15931	mol	C#COC(=O)c1cocc1
-15932	mol	CC(OC=O)c1cocc1
-15933	mol	CCOC(=O)c1cocc1
-15934	mol	C=COC(=O)C1=COCC1
-15935	mol	C#COC(=O)C1=COCC1
-15936	mol	C=COC(=O)c1occc1
-15937	mol	C#COC(=O)c1occc1
-15938	mol	CC(OC=O)c1occc1
-15939	mol	CCOC(=O)c1occc1
-15940	mol	C=COC(=O)C=C
-15941	mol	C=COC(=O)C#C
-15942	mol	C#COC(=O)C=C
-15943	mol	C#COC(=O)C#C
-15944	mol	CC(=O)C(=O)C#C
-15945	mol	CC(OC=O)C=C
-15946	mol	CC(OC=O)C#C
-15947	mol	CCOC(=O)C=C
-15948	mol	CCOC(=O)C#C
-15949	mol	CCOC(O)CC
-15950	mol	CC(OC=O)Cc1ccccc1
-15951	mol	C=COC(=O)C(C1CCCO1)=O
-15952	mol	CCOC(=O)C(C1CC=CO1)=O
-15953	mol	CC(OC=O)Cc1cocc1
-15954	mol	C=COC(=O)C=C=C
-15955	mol	C=COC(O)=CC#C
-15956	mol	C#COC(=O)C=C=C
-15957	mol	C#COC(=O)C#CC
-15958	mol	C#COC(O)=CC#C
-15959	mol	CC(OC=O)CC=C
-15960	mol	CCOC(=O)C=C=C
-15961	mol	CCOC(O)CCC
-15962	mol	CCOC(O)(C)CC
-15963	mol	CCOC(OC)CC
-15964	mol	C#COC(=O)c(cc1)ccc1O
-15965	mol	C#COC(=O)C#CC1CCCO1
-15966	mol	C#COC(=O)C#CC1CC=CO1
-15967	mol	CC(=O)C(=O)C#CC1CCCO1
-15968	mol	C=COC(=O)C#CC1CCOC1
-15969	mol	CCOC(=O)C=CC1CCOC1
-15970	mol	C#COC(=O)C#Cc1cocc1
-15971	mol	C#COC(=O)C#Cc1occc1
-15972	mol	CCOCOCCCC
-15973	mol	C=COC(=O)C=CC#C
-15974	mol	C#COC(=O)C(=C)C=C
-15975	mol	C#COC(=O)C#CC=C
-15976	mol	C#COC(=O)C#CC#C
-15977	mol	CC(OC=O)(C=C)C=C
-15978	mol	CC(OC=O)(C#C)C#C
-15979	mol	CC(OC=O)C#CC#C
-15980	mol	CCOC(=O)C#CCC
-15981	mol	CCOC(O)(C)CCC
-15982	mol	CCOC(O)CC(C)C
-15983	mol	CCOCOC(C)CC
-15984	mol	C#COC(=O)c(ccc1)cc1O
-15985	mol	CC(OC=O)c(ccc1)cc1O
-15986	mol	CCOC(O)(CCC)C1CCCCC1
-15987	mol	C=COC(=O)C(C)=CC#C
-15988	mol	CC(OC=O)C(C#C)C#C
-15989	mol	C=COC(=O)C=C=CC=C=C
-15990	mol	C=COC(=O)C(C#C)=CC#C
-15991	mol	CCOC(OC(C(C)CC)=O)=O
-15992	mol	CCOC(OC(C)CC)C(O)=O
-15993	mol	CCOC(OCC(CC)C=O)=O
-15994	mol	CCOC(O)(CCC)C=O
-15995	mol	CC(OC(=O)C=C=C)N(=O)=O
-15996	mol	C#COC(=O)C=CC=O
-15997	mol	C#COC(=O)C(CC)=O
-15998	mol	CC(OC=O)(C#C)C=O
-15999	mol	CCOC(O)(CC)C=O
-16000	mol	C#COC(=O)C#CC(O)=O
-16001	mol	CC(OC=O)(C#C)C(O)=O
-16002	mol	CCOC(=O)C#CC(O)=O
-16003	mol	CCOC(OC(CC)=O)=O
-16004	mol	C#COC(=O)C=CO
-16005	mol	C#COC(=O)C(C)=O
-16006	mol	C#COC(=O)C#CO
-16007	mol	C#COC(OC=C)=O
-16008	mol	C#COC(OC#C)=O
-16009	mol	CC(OC=O)CC=O
-16010	mol	CCOC(OC)CO
-16011	mol	CC(OC=O)(CC=O)CC=C
-16012	mol	C#COC(=O)C#COC=O
-16013	mol	CC(OC=O)CC(O)=O
-16014	mol	CC(OC(OC=C)=O)=O
-16015	mol	C=COC(=O)C=O
-16016	mol	C#COC(=O)C=O
-16017	mol	CC(OC=O)C=O
-16018	mol	CCOC(=O)C=O
-16019	mol	CCOC(O)C=O
-16020	mol	C=COC(=O)C(=O)C#C
-16021	mol	C#COC(=O)C(=O)C#C
-16022	mol	C#COC(OC=O)C#C
-16023	mol	CC(OC=O)(C=O)C=C
-16024	mol	C#COC(OC=O)=CC#C
-16025	mol	CCOC(O)(C)OC(C)CC
-16026	mol	C#COC(=O)C(OC=C)=O
-16027	mol	C#COC(=O)C(OC#C)=O
-16028	mol	C#COC(=O)C(=O)C=O
-16029	mol	C#COC(=O)C(OC=O)=O
-16030	mol	C=COC(=O)C(O)=O
-16031	mol	C#COC(=O)C(O)=O
-16032	mol	C#COC(OC=O)=O
-16033	mol	CC(OC=O)C(O)=O
-16034	mol	CCOC(=O)C(O)=O
-16035	mol	CCOC(OC=O)=O
-16036	mol	CC(OC(OC=O)=O)=C
-16037	mol	CC(OC(OC=O)=O)=O
-16038	mol	CCOC(OC(O)=O)=O
-16039	mol	CCOC(=O)N
-16040	mol	C=COC(=O)NC=O
-16041	mol	CCOC(ON)=O
-16042	mol	CC(OC=O)N(=O)=O
-16043	mol	CC(OC=O)=O
-16044	mol	CCOC(O)O
-16045	mol	CCOC(O)=O
-16046	mol	CC(OC(O)=O)c1cocc1
-16047	mol	C#COC(=O)OC(=C)C(O)=O
-16048	mol	CC(OC=O)OC=O
-16049	mol	CC(OC(OOC(=O)C=C)=O)=O
-16050	mol	CC(=O)N
-16051	mol	CCONc1ccccc1
-16052	mol	CC(=O)Nc1ccccc1
-16053	mol	CCONc1ccccc1CC
-16054	mol	CC(=O)N(c1ccccc1)N
-16055	mol	C=CONC=C
-16056	mol	CC(=O)N(C)N
-16057	mol	CCONC=O
-16058	mol	CC(=O)NN
-16059	mol	CC(=O)N(N)C=O
-16060	mol	CC(=O)N(N)N
-16061	mol	C=CON(=O)=O
-16062	mol	C#CON(=O)=O
-16063	mol	CC(=O)N(=O)=O
-16064	mol	CC(=O)Oc1ccccc1
-16065	mol	C#COOC1CC=CO1
-16066	mol	C#COOC1(CC=CO1)C#C
-16067	mol	C#COOC1CCOC1
-16068	mol	CCOOc1cocc1
-16069	mol	C#COOc1cocc1
-16070	mol	CC(=O)Oc1cocc1
-16071	mol	CC(=O)Oc1occc1
-16072	mol	CCOOC#C
-16073	mol	C#COOCC=C
-16074	mol	C#COOCC#C
-16075	mol	CCOOC(C)C
-16076	mol	CC(=O)OC(=C)c1occc1
-16077	mol	C#COOC#CC#C
-16078	mol	CC(=O)OC#CC#C
-16079	mol	CCOOC(C)CC
-16080	mol	CC(OOc(ccc1)cc1O)=O
-16081	mol	CC(=O)OC#CC#CC
-16082	mol	CCOOC(C)(C)CC
-16083	mol	CCOOCCCCCC
-16084	mol	CCOOC(C)(CC)CC
-16085	mol	CCOOC(CCC)C(C)(C)CC
-16086	mol	CCOOC(CCC)C(CC)CCC
-16087	mol	CCOOCCCCC(CC)CCC
-16088	mol	CCOOCCCCC(CCC)C(C)C
-16089	mol	CCOOC(C)(CC)CC=O
-16090	mol	CCOOC(C)(CC)CC(O)=O
-16091	mol	C#COOC(CC#C)=O
-16092	mol	CC(=O)OC#CC=O
-16093	mol	CC(=O)OC#CC(O)=O
-16094	mol	CC(OOC=C)=O
-16095	mol	CC(OOC#C)=O
-16096	mol	C#COOC=O
-16097	mol	C#COOC(=O)C#C
-16098	mol	C#COOCOC#C
-16099	mol	CC(=O)OC(=O)C=C
-16100	mol	C#COOC(OC=O)=O
-16101	mol	CC(=O)OC(=O)C(OO)=O
-16102	mol	CC(OOC=O)=O
-16103	mol	CC(=O)ON(=O)=O
-16104	mol	C#COOOC=O
-16105	mol	CC[Si](C)(Br)C=O
-16106	mol	CC[Si](C)(c1cocc1)N(=O)=O
-16107	mol	CC[Si](F)(C=C)C=C=C
-16108	mol	CC[Si](F)(C=C)C=C=CC
-16109	mol	CC[Si](F)(C=C)C=C=C(O)C
-16110	mol	CC[Si](F)(C=C)C=C=COC=O
-16111	mol	CC[Si](F)(F)C1CCCO1
-16112	mol	CC[Si](F)(F)C(Br)=C=C
-16113	mol	CC[Si](F)(F)C=C
-16114	mol	CC[Si](F)(F)C=C=C
-16115	mol	CC[Si](F)(F)F
-16116	mol	CC[SiH2]Br
-16117	mol	C=C[SiH2]c1ccccc1
-16118	mol	C=C[SiH2]C1CCCCC1
-16119	mol	CC[SiH2]c1ccccn1
-16120	mol	C=C[SiH2]C1CC=CO1
-16121	mol	C#C[SiH2]C1CCCO1
-16122	mol	C=C[SiH2]C1CCNCC1
-16123	mol	C=C[SiH2]c1cocc1
-16124	mol	C=C[SiH2]c1occc1
-16125	mol	C#C[SiH2]c2c1ccoc1ccc2
-16126	mol	C=C[SiH2]C=C
-16127	mol	C#C[SiH2]C=C=C
-16128	mol	CC[SiH2]C=C=C
-16129	mol	C=C[SiH2]C#CC1CCCCC1
-16130	mol	C=C[SiH2]C#CC=C
-16131	mol	CC[SiH2]CC=C=C
-16132	mol	CC[SiH2]CC(C)C
-16133	mol	C=C[SiH2]C=CC=C=C
-16134	mol	CC[SiH2]Cl
-16135	mol	CC[SiH2]C#N
-16136	mol	C#C[SiH2]C=O
-16137	mol	CC[SiH2]C=O
-16138	mol	CC[SiH2]F
-16139	mol	CC[SiH2]N
-16140	mol	C#C[SiH2]N(=O)=O
-16141	mol	CC[SiH3]
-16142	mol	CC([SiH3])c1ccccc1
-16143	mol	CC([SiH3])C1CCNCC1
-16144	mol	CC([SiH3])C1CCOC1
-16145	mol	CC([SiH3])c1occc1
-16146	mol	CC([SiH3])C=C
-16147	mol	CC([SiH3])(CC=C=C)C1=COCC1
-16148	mol	CC([SiH3])=C(Cl)C=C=C
-16149	mol	CC([SiH3])[SiH3]
-16150	mol	CC([SiH3])([SiH3])c1ccccc1O
-16151	mol	CC[SiH](Br)C1CC=CO1
-16152	mol	CC[SiH](Br)c1cocc1
-16153	mol	CC[SiH](Br)C=O
-16154	mol	CC[SiH](C1CC=CO1)C=C=C
-16155	mol	CC[SiH](C)C1CC=CO1
-16156	mol	CC[SiH](C)c1cocc1
-16157	mol	C=C[SiH](C=C=C)c1cocc1
-16158	mol	CC[SiH](CC=C=C)c1cocc1
-16159	mol	CC[SiH](C=O)C=C=C
-16160	mol	CC[SiH](F)C
-16161	mol	CC[SiH](F)C1CC=CO1
-16162	mol	CC[SiH](F)CC
-16163	mol	CC[SiH](F)C(C1CCOC1)=C=C
-16164	mol	CC[SiH](F)C=C=C
-16165	mol	CC[SiH](F)C=C=CF
-16166	mol	CC[SiH](F)F
-16167	mol	CC[SiH](N)C=C
-16168	mol	CC[SiH](N)C#N
-16169	mol	CC[SiH](O)c1ccccc1
-16170	mol	CC[Si](N)(C)C#N
-16171	mol	CC[Si]([SiH3])(Br)C=O
-16172	mol	Cl
-16173	mol	ClBr
-16174	mol	ClC
-16175	mol	ClC1(Br)CCCO1
-16176	mol	ClC1(Br)COC=C1C
-16177	mol	Clc1cc(Br)ccc1
-16178	mol	Clc1cc(Br)c(C#N)cc1C#C
-16179	mol	Clc1cc(Br)co1
-16180	mol	Clc1cc(Br)oc1
-16181	mol	ClC1CCC(Br)CC1
-16182	mol	Clc1ccc(Br)cc1F
-16183	mol	Clc1ccc(Br)cc1[SiH3]
-16184	mol	Clc1ccccc1
-16185	mol	ClC1CCCCC1
-16186	mol	Clc1ccccc1Br
-16187	mol	Clc1ccccc1C=C
-16188	mol	Clc1ccccc1C#C
-16189	mol	ClC1CCCCC1C#C
-16190	mol	Clc1cc(ccc1)C=C=C
-16191	mol	Clc1ccc(cc1)C=C=C
-16192	mol	Clc1ccccc1C=C=C
-16193	mol	ClC1CCC(CC1)C=C=C
-16194	mol	ClC1CCCCC1C#CC=C
-16195	mol	ClC1CC(CCC1)C#CN(=O)=O
-16196	mol	Clc1ccccc1Cl
-16197	mol	Clc1ccccc1C#N
-16198	mol	ClC1CC(CCC1)C#N
-16199	mol	Clc1ccccc1C=O
-16200	mol	ClC1CC(CCC1)C=O
-16201	mol	ClC1CCC(CC1)C=O
-16202	mol	Clc1cc(ccc1C=O)C=C=C
-16203	mol	Clc1cccc(c1F)C=C=C
-16204	mol	Clc1ccccc1N(=O)=O
-16205	mol	ClC1CC(CCC1)N(=O)=O
-16206	mol	Clc1cccc(c1O)C=C=C
-16207	mol	Clc1ccc(C#C)cc1
-16208	mol	Clc1cc(C#C)ccc1
-16209	mol	ClC1CCCCC(CC1O)C(O)=O
-16210	mol	Clc1cccc(C=C=C)c1Br
-16211	mol	Clc1cccc(C=C=C)c1C#C
-16212	mol	Clc1cccc(Cl)c1C
-16213	mol	Clc1cccc(Cl)c1O
-16214	mol	Clc1ccccn1
-16215	mol	Clc1ccc(C#N)cc1
-16216	mol	Clc1cc(C=C)ncc1
-16217	mol	ClC1CC(Cl)CCC1
-16218	mol	Clc1cc(Cl)oc1
-16219	mol	Clc1cccnc1
-16220	mol	ClC1CCCO1
-16221	mol	ClC1CC=CO1
-16222	mol	ClC1(CCCO1)C#C
-16223	mol	ClC1CC(CO1)C#C
-16224	mol	Clc1cc(co1)C=C=C
-16225	mol	ClC1(CC=CO1)C=C=C
-16226	mol	ClC1CC(CO1)C=C=C
-16227	mol	ClC1=C(CCO1)C#N
-16228	mol	ClC1(CCCO1)C#N
-16229	mol	ClC1CC(CO1)C(O)=O
-16230	mol	Clc1cc(co1)N(=O)=O
-16231	mol	ClC1CC(=CO1)N(=O)=O
-16232	mol	ClC1(CCCO1)OC=O
-16233	mol	Clc1cc(co1)OC(=O)N(=O)=O
-16234	mol	Clc1cc(C=O)ccc1
-16235	mol	Clc1cc(C=O)oc1
-16236	mol	Clc1ccncc1
-16237	mol	ClC1CCNCC1
-16238	mol	ClC1(CCNCC1)C=C=C
-16239	mol	ClC1CCNCC1C#N
-16240	mol	ClC1(CCNCC1)C=O
-16241	mol	Clc1ccncc1[SiH3]
-16242	mol	ClC1CC(N)=CO1
-16243	mol	ClC1C=COC1
-16244	mol	Clc1ccoc1Br
-16245	mol	Clc1ccoc1C#C
-16246	mol	Clc1cc(oc1)C=C=C
-16247	mol	ClC1C=COC1C=C=C
-16248	mol	ClC1CC(OC1)C=C=C
-16249	mol	ClC1CCOC1C=C=C
-16250	mol	ClC1C(COC1(C)C=C=C)C#C
-16251	mol	ClC1CCOC1(C)Cl
-16252	mol	ClC1C=COC1(Cl)C=C=C
-16253	mol	ClC1C=COC1C#N
-16254	mol	Clc1ccoc1C=O
-16255	mol	ClC1C=COC1C=O
-16256	mol	Clc1cc(oc1)N(=O)=O
-16257	mol	Clc1cc([SiH3])ccc1
-16258	mol	ClC1CC([SiH3])CCC1
-16259	mol	Clc1cc([SiH3])oc1
-16260	mol	ClC1CNCCC1Br
-16261	mol	ClC1CNCCC1(Br)C#C
-16262	mol	ClC1CN(CCC1(Br)C#C)N
-16263	mol	ClC1CNCCC1(C)Br
-16264	mol	Clc1coc(Br)c1Cl
-16265	mol	Clc1cocc1
-16266	mol	ClC1=COCC1
-16267	mol	Clc1cocc1Br
-16268	mol	Clc1cocc1C=C
-16269	mol	ClC1(COC=C1C)C#C
-16270	mol	ClC1(COC=C1C)OC=O
-16271	mol	Clc1coc(Cl)c1Br
-16272	mol	Clc1nc(Br)ccc1
-16273	mol	Clc1ncccc1C=C=C
-16274	mol	Clc1nccc(C#C)c1O
-16275	mol	Clc1oc(Br)cc1
-16276	mol	ClC1OC(Br)CC1
-16277	mol	Clc1occc1
-16278	mol	Clc1occc1Br
-16279	mol	ClC1OC=CC1Br
-16280	mol	ClC1(OC=CC1Br)C#N
-16281	mol	Clc1occ(c1Br)N(=O)=O
-16282	mol	Clc1occc1C#C
-16283	mol	ClC1OC(=CC1)C#C
-16284	mol	Clc1occc1C=C=C
-16285	mol	ClC1OCCC1Cl
-16286	mol	Clc1oc(cc1)N(=O)=O
-16287	mol	Clc1occc1N(=O)=O
-16288	mol	ClC1OC(CC)=CC1
-16289	mol	ClC1OC(C=C)C(C1Br)C=C=C
-16290	mol	ClC1OCC(C#C)C1C=C=C
-16291	mol	Clc1occ(C=C=C)c1Br
-16292	mol	Clc1occ(C=C=C)c1C=C
-16293	mol	Clc1oc(Cl)c(C=C=C)c1C
-16294	mol	Clc1oc(Cl)c(Cl)c1C
-16295	mol	Clc1oc(O)c(C=C=C)c1Br
-16296	mol	Clc1oc([SiH3])cc1
-16297	mol	ClC1OC([SiH3])=CC1
-16298	mol	Clc1oc([SiH3])c(c1Br)N(=O)=O
-16299	mol	ClC1([SiH3])CCCO1
-16300	mol	ClC1([SiH3])CC=CO1
-16301	mol	Clc2c1ccccc1oc2
-16302	mol	ClC2(C1CC=CO1)OC=CC2Br
-16303	mol	Clc2c1ccoc1ccc2
-16304	mol	Clc2c1occc1c(Br)cc2
-16305	mol	Clc2c1occc1ccc2
-16306	mol	Clc2cc1c(cccc1C=O)o2
-16307	mol	Clc2cc1ccoc1cc2
-16308	mol	Clc2cc1ccoc1cc2C=O
-16309	mol	Clc2cc1ccoc1c(Cl)c2C
-16310	mol	Clc2cc1occc1cc2
-16311	mol	Clc2cc1oc(C)cc1cc2
-16312	mol	Clc2cc1oc(C#C)cc1cc2
-16313	mol	Clc2cc1oc([SiH3])cc1cc2
-16314	mol	Clc2cc(C1CCCCC1)oc2
-16315	mol	Clc2cc(C1CCCO1)ccc2
-16316	mol	Clc2ccc1ccoc1c2C
-16317	mol	Clc2ccc1ccoc1c2C#C
-16318	mol	Clc2cc(C1CCOC1)ccc2
-16319	mol	Clc2ccc1occc1c2Cl
-16320	mol	Clc2cccc1c2occ1O
-16321	mol	Clc2ccc(C1CCCO1)cc2
-16322	mol	Clc2ccccc2C1CC=CO1
-16323	mol	ClC2CC(CCC2)C1CC=CO1
-16324	mol	Clc2ccccc2C1CCOC1
-16325	mol	Clc2ccccc2C1C=COC1
-16326	mol	Clc2ccccc2c1cocc1
-16327	mol	Clc2ccc(cc2)c1cocc1
-16328	mol	ClC2CCCCC2c1cocc1
-16329	mol	Clc2ccccc2c1occc1
-16330	mol	Clc2ccc(cc2)c1occc1
-16331	mol	ClC2CCCCC2c1occc1
-16332	mol	ClC2CCC(CC2)c1occc1
-16333	mol	ClC2CC(CO2)c1ccccc1
-16334	mol	Clc2cc(co2)c1cocc1
-16335	mol	ClC2CC(CO2)c1cocc1
-16336	mol	ClC2(CCNCC2)c1cocc1
-16337	mol	ClC2C=COC2c1ccccn1
-16338	mol	ClC2C=COC2C1CC=CO1
-16339	mol	Clc2ccoc2c1cocc1
-16340	mol	Clc2cnccc2C1CC=CO1
-16341	mol	Clc2cnccc2C1C=COC1
-16342	mol	ClC2=COCC2c1ccccn1
-16343	mol	ClC2COCC2C1CCCCN1
-16344	mol	Clc2cocc2c1cocc1
-16345	mol	Clc2ncccc2C1CCCO1
-16346	mol	Clc2oc1ccccc1c2
-16347	mol	Clc2oc1ccccc1c2C#C
-16348	mol	Clc2oc1ccccc1c2F
-16349	mol	ClC2OC(C1CCCCN1)=CC2
-16350	mol	Clc2occ(C1CCCO1)c2N
-16351	mol	Clc2occc2c1ccccc1
-16352	mol	Clc2oc(cc2)c1ccccc1
-16353	mol	Clc2oc(cc2)c1ccncc1
-16354	mol	Clc2occc2c1cocc1
-16355	mol	ClC(Br)=C
-16356	mol	ClC(Br)C1=CCCO1
-16357	mol	ClC(Br)=C=C
-16358	mol	ClC(Br)C#C
-16359	mol	ClC(Br)=C=CC=C=C
-16360	mol	ClC(Br)=C=C(O)C#N
-16361	mol	ClC=C
-16362	mol	ClC#C
-16363	mol	ClCc1ccccc1
-16364	mol	ClC(C1CCCCC1)=C
-16365	mol	ClC(c1ccccc1)=C=C
-16366	mol	ClC(C1CCCCC1)=O
-16367	mol	ClC(c1ccccn1)=CC=C=C
-16368	mol	ClC(C1CCCCN1)=C=CC#N
-16369	mol	ClC(C1CCCCN1)=O
-16370	mol	ClCC1=CCCO1
-16371	mol	ClC(C1CCCO1)C=C
-16372	mol	ClC(C1CC=CO1)=C=C(F)C=O
-16373	mol	ClC(C1CCNCC1)=C
-16374	mol	ClC(C1CCNCC1)=C=C
-16375	mol	ClC(C1CCNCC1)=CC=C=C
-16376	mol	ClCC1CCOC1
-16377	mol	ClCc1cocc1
-16378	mol	ClC(c1cocc1)=C=C
-16379	mol	ClC(c1cocc1)=C=CC=C
-16380	mol	ClC(c1cocc1)=CC=C=C
-16381	mol	ClC(c1cocc1)=C=CC(O)=O
-16382	mol	ClC(c1cocc1)=C(N)C=C=C
-16383	mol	ClC=C(Br)C=C=C
-16384	mol	ClCC(Br)C(C)N(=O)=O
-16385	mol	ClC=C=C
-16386	mol	ClCC=C
-16387	mol	ClC=Cc1ccccc1
-16388	mol	ClC#Cc1ccccc1
-16389	mol	ClC=CC1CCCCC1
-16390	mol	ClC=C(c1ccccc1)C=C=C
-16391	mol	ClC(=C)c1ccccc1O
-16392	mol	ClC(CC1CCCNC1)CC=O
-16393	mol	ClC=CC1CCCO1
-16394	mol	ClC#CC1CCCO1
-16395	mol	ClC#CC1CC=CO1
-16396	mol	ClCCC1CCOC1
-16397	mol	ClC=Cc1cocc1
-16398	mol	ClC(=C)c1cocc1
-16399	mol	ClC#Cc1cocc1
-16400	mol	ClC(=Cc1cocc1)C=C=C
-16401	mol	ClC(=C(c1cocc1)N)C=C=C
-16402	mol	ClC=C(c1cocc1)N(=O)=O
-16403	mol	ClC(CC1N)OC1C=C
-16404	mol	ClC#Cc1occc1
-16405	mol	ClC=C(c1occc1)C#C
-16406	mol	ClC=Cc1occc1C#CC=C
-16407	mol	ClC#CC1OC(=CC1)N(=O)=O
-16408	mol	Clc(cc1O)cc(C#C)c1C#N
-16409	mol	ClC(CC1O)OC1C=C
-16410	mol	Clc(cc1O)oc1O
-16411	mol	ClC(=C)c2c1ccoc1ccc2
-16412	mol	ClC#Cc2cc1ccoc1cc2
-16413	mol	ClC=C=CBr
-16414	mol	ClCC(CBr)CBr
-16415	mol	ClCC(C)(Br)CC1CCCO1
-16416	mol	ClCC(CBr)CC#C
-16417	mol	ClC=CC=C
-16418	mol	ClC=CC#C
-16419	mol	ClC#CC=C
-16420	mol	ClC#CC#C
-16421	mol	ClCC=C=C
-16422	mol	ClCC(C)C
-16423	mol	ClC(CCC1Br)CC1F
-16424	mol	Clc(ccc1Br)cc1[SiH3]
-16425	mol	ClC(CCC1C=C)CC1Cl
-16426	mol	ClCCCc1ccccc1
-16427	mol	ClC=C=Cc1ccccc1
-16428	mol	ClC(C=C)c1ccccc1
-16429	mol	ClCCCC1CCCCC1
-16430	mol	Clc(ccc1C=C=C)cc1F
-16431	mol	ClCC(CC1CCCNC1)C=O
-16432	mol	ClC=C=CC1CC=CO1
-16433	mol	ClC(C=C)C1=CCCO1
-16434	mol	ClC=C=CC1CCNCC1
-16435	mol	ClC=C=CC1=COCC1
-16436	mol	ClC=C=C(C1=COCC1)C=C=C
-16437	mol	Clc(ccc1F)cc1F
-16438	mol	ClC(CCC1N)CC1Cl
-16439	mol	ClC#CC=CBr
-16440	mol	ClCCC(C)Br
-16441	mol	ClCCCC(Br)CC
-16442	mol	ClCCCC(Br)CCC
-16443	mol	ClC(C(C)(C(Br)C=C)C=O)C=C
-16444	mol	ClC=C=CC=C
-16445	mol	ClC=C=CC#C
-16446	mol	ClC=CC=C=C
-16447	mol	ClC(=C=C)C=C
-16448	mol	ClC(=C)C=C=C
-16449	mol	ClC(C#C)=C=C
-16450	mol	ClC(C#C)C=C
-16451	mol	ClC#CC=C=C
-16452	mol	ClCC(C)(C)C
-16453	mol	ClCCC(C)C
-16454	mol	ClC(=C)c(cc1cc2)oc1cc2
-16455	mol	ClCC(C)Cc1ccccc1O
-16456	mol	ClC#CC#Cc1ccccn1
-16457	mol	ClCCC(C)C1CCCO1
-16458	mol	ClCC(C)(CC1CC=CO1)C#N
-16459	mol	ClCC(C)(C)c1ccncc1
-16460	mol	ClCC(C)CC1CCOC1
-16461	mol	ClC=C(C=C)C1=COCC1
-16462	mol	ClC#Cc(cc1)oc1F
-16463	mol	ClC=C=CC=C=C
-16464	mol	ClC=C(C#C)C=C
-16465	mol	ClC=CC#CC=C
-16466	mol	ClC(=C=C)C=C=C
-16467	mol	ClC(C#C)=CC=C
-16468	mol	ClC#CC=CC=C
-16469	mol	ClCCCC=C=C
-16470	mol	ClC(CCC=C)c1ccccc1
-16471	mol	ClCC(C)CCc1ccccc1
-16472	mol	ClCCC(C=C)c1ccccc1
-16473	mol	ClC(C=C)=C=CC1C=COC1
-16474	mol	ClC(C=C)=C=CC=C
-16475	mol	ClCC(C)CC=C=C
-16476	mol	ClCC(C)CC(C)C
-16477	mol	ClCCC(C)C=C=C
-16478	mol	ClCCCCC(C)C
-16479	mol	ClC=CC#CC#CC=C
-16480	mol	ClC(C=C=C)=C=CC=C
-16481	mol	ClC(C=C=C)=CC=C=C
-16482	mol	ClCC(C)(C)CC=C=C
-16483	mol	ClCC(C)CCC(C)C
-16484	mol	ClCCCC(C)(C)CC
-16485	mol	ClC=C(C=C)C#CC#CC=C
-16486	mol	ClC(C(C)(CC=C)C=C)C=C
-16487	mol	ClCCCC(C)(CC)C(C)CC
-16488	mol	ClCCCC(C)(C(C)CC)C(C)Br
-16489	mol	ClCCCC(C)(CC)C(C)CCC
-16490	mol	ClCCCCC(CCC)CC(C)C
-16491	mol	ClCCCC(C)(C)Cl
-16492	mol	ClCC(C)(CC=C)C=O
-16493	mol	ClC(C(C)(CC=C)C=O)C=C
-16494	mol	ClC(C(C)(CC=C)C(O)=O)C=C
-16495	mol	ClCC(C)(C)CC#N
-16496	mol	ClC=C=C(C=C=C)N(Cl)C=C=C
-16497	mol	ClC=C=C(C=C=C)N(=O)=O
-16498	mol	ClC(C=C=C)=CC=O
-16499	mol	ClCC(C)(C)C(C(O)=O)C=C=C
-16500	mol	ClCC(C)CCl
-16501	mol	ClCC(C)(C)Cl
-16502	mol	ClC(C#C)=C=CN
-16503	mol	ClC(C#C)=CC#N
-16504	mol	ClCC(C)CC#N
-16505	mol	ClCCC(C)C#N
-16506	mol	ClCCC(C)C=O
-16507	mol	ClC#CC=CC(O)=O
-16508	mol	ClCC(C)CC(O)=O
-16509	mol	ClCCCCl
-16510	mol	ClC=C(C)Cl
-16511	mol	ClCC(C)(Cl)CC1CCCO1
-16512	mol	ClCC(C)(Cl)CC1CC=CO1
-16513	mol	ClCC(C)(Cl)CC=C=C
-16514	mol	ClCC(C)(Cl)C[SiH3]
-16515	mol	ClC=C=C(Cl)N(C=C=C)C=C=C
-16516	mol	ClC=C=CC#N
-16517	mol	ClCC(C)C#N
-16518	mol	ClC=CC#CNC=C
-16519	mol	ClCCC(C)N(=O)=O
-16520	mol	ClC=C=CC=O
-16521	mol	ClC(=C=C)C=O
-16522	mol	ClCC(C)C=O
-16523	mol	ClCC(C)(C(OBr)=O)N(=O)=O
-16524	mol	ClC#CC(C=O)=CC=C
-16525	mol	ClCC(CC=O)(CC=C)C=O
-16526	mol	ClCC(C)(C(O)C=C)C=O
-16527	mol	ClCC(CC=O)C(Cl)C=C
-16528	mol	ClCC(C)(C=O)C(F)N(=O)=O
-16529	mol	ClC=C=CC(O)=O
-16530	mol	ClCC(C)C(O)=O
-16531	mol	ClCC(CC(O)=O)C(O)=O
-16532	mol	ClCC(C)(C(O)=O)N(=O)=O
-16533	mol	ClCC(C(F)Br)CC=C=C
-16534	mol	ClC=C=C(F)C1CC=CO1
-16535	mol	ClC=C=C(F)C#C
-16536	mol	ClCCCl
-16537	mol	ClC#CCl
-16538	mol	ClC=C(Cl)c1cocc1
-16539	mol	ClC=C(Cl)C#C
-16540	mol	ClC=C(Cl)C(O)=O
-16541	mol	ClCCC(N)CC
-16542	mol	ClC=C(C#N)C=C=C
-16543	mol	ClC=C=C(NCl)C=C=C
-16544	mol	ClCC(C)NC=O
-16545	mol	ClC(=C=CN)N(=O)=O
-16546	mol	ClC=C=CN(=O)=O
-16547	mol	ClC=C(C)N(=O)=O
-16548	mol	ClC#CC=O
-16549	mol	ClC=C=C(O)Br
-16550	mol	ClC=C(C=O)C=C=C
-16551	mol	ClC=C(C=O)C#CC=C
-16552	mol	ClCC(C)OC(=O)N
-16553	mol	ClC=CC(O)=O
-16554	mol	ClC#CC(O)=O
-16555	mol	ClCCC(O)=O
-16556	mol	ClC=C=C[SiH3]
-16557	mol	ClCCC[SiH3]
-16558	mol	ClC=C(F)C=C=C
-16559	mol	ClCC(F)(C)C=C=C
-16560	mol	ClC(Cl)=C=C
-16561	mol	ClC(Cl)C(C)(CC=C)C=O
-16562	mol	ClC(Cl)C(C)(Cl)C#N
-16563	mol	ClC#CN
-16564	mol	ClCC#N
-16565	mol	Clc(cnc1F)cc1C
-16566	mol	ClC(C#N)=C(Br)C=C=C
-16567	mol	ClC(CNCC1(F)O)C1N
-16568	mol	ClC=C(N)C=C=C
-16569	mol	ClC(C#N)=CC#C
-16570	mol	ClC(C#N)=C=CC=C
-16571	mol	ClC(C#N)=CC#CC#CC=C
-16572	mol	ClCC(N)(C)C(F)N(=O)=O
-16573	mol	ClCCN(=O)=O
-16574	mol	ClC(C=O)(C=C)c1ccccc1
-16575	mol	ClCC(O)(C)C=C=C
-16576	mol	ClCC(O)CC(O)=O
-16577	mol	ClC(C=O)=C(F)C=C=C
-16578	mol	ClCC(O)C(F)C(O)=O
-16579	mol	ClC#C[SiH3]
-16580	mol	ClC=C([SiH3])c1cocc1
-16581	mol	ClCl
-16582	mol	ClC#N
-16583	mol	Clc(nc1F)cc(c1F)C=C=C
-16584	mol	ClC(N)=C=C
-16585	mol	ClC(N(=O)=O)=C(N)C=C=C
-16586	mol	ClC=O
-16587	mol	ClC(OC1C=C)CC1C=C=C
-16588	mol	Clc(oc1O)cc1Br
-16589	mol	Clc(oc1O)cc1C=C=C
-16590	mol	ClC(=O)C=C
-16591	mol	ClC(=O)C=C=C
-16592	mol	ClC(OC(C)N(=O)=O)=O
-16593	mol	ClC(=O)Oc1ccccc1
-16594	mol	ClC(=O)Oc1cc(oc1)C=C=C
-16595	mol	ClC(=O)Oc1ccoc1C=O
-16596	mol	ClC(=O)Oc1ccoc1[SiH3]
-16597	mol	ClC(=O)Oc1cocc1
-16598	mol	ClC(=O)Oc1cocc1C=C
-16599	mol	ClC(=O)Oc1occc1
-16600	mol	ClC(=O)OC=C=C
-16601	mol	ClC(=O)ON(=O)=O
-16602	mol	ClC([SiH3])=C=C
-16603	mol	ClC([SiH3])=C(C#N)C=C=C
-16604	mol	ClC([SiH3])=C(C#N)C=O
-16605	mol	ClF
-16606	mol	ClN
-16607	mol	ClNc1ccccc1
-16608	mol	ClN(c1ccccc1)C=C=C
-16609	mol	ClNC1=CCCO1
-16610	mol	ClNC1C=COC1
-16611	mol	ClNC=C=C
-16612	mol	ClN(C=C=C)C=C=C
-16613	mol	ClNC(=C=C)C=C=C
-16614	mol	ClN(C=C=C)C(=C=C)C=C=C
-16615	mol	ClNC(C=C=C)=C=CC=C=C
-16616	mol	ClNN
-16617	mol	ClN(=O)=O
-16618	mol	ClO
-16619	mol	ClOBr
-16620	mol	ClOC1CCCCC1
-16621	mol	ClOC1CCCCC1C=O
-16622	mol	ClOc1cnccc1C#N
-16623	mol	ClOC(C)C
-16624	mol	ClOC(C(C)C)=O
-16625	mol	ClOC(Cl)=O
-16626	mol	ClOC(C)=O
-16627	mol	ClOC#N
-16628	mol	ClOC=O
-16629	mol	ClOC(=O)c1cocc1
-16630	mol	ClOC(=O)C#C
-16631	mol	ClOC(=O)C=C=C
-16632	mol	ClOC(=O)C(O)=O
-16633	mol	ClOC(=O)N(=O)=O
-16634	mol	Cl[Si](Br)(C1CC=CO1)C=O
-16635	mol	Cl[SiH2]Br
-16636	mol	Cl[SiH2]c1ccccc1O
-16637	mol	Cl[SiH2]c1cocc1
-16638	mol	Cl[SiH2]C=O
-16639	mol	Cl[SiH2]N(=O)=O
-16640	mol	Cl[SiH2][SiH3]
-16641	mol	Cl[SiH3]
-16642	mol	Cl[SiH](C1CC=CO1)C=C=C
-16643	mol	Cl[SiH](C1CCNCC1)C=C=C
-16644	mol	Cl[SiH](C=C)c1occc1
-16645	mol	Cl[SiH](C=C=C)N(=O)=O
-16646	mol	CN
-16647	mol	C#N
-16648	mol	CNC
-16649	mol	C(NC1)CCC1c2cccnc2
-16650	mol	CNc1ccccc1
-16651	mol	CNC1CCCCC1
-16652	mol	CN(c1ccccc1)C=O
-16653	mol	CN(c1ccccc1)C(O)=O
-16654	mol	CN(C1CCCCC1)C(O)=O
-16655	mol	CNc1ccccc1O
-16656	mol	c(nc2)ccc2c1ccccc1
-16657	mol	C(NC2)CCC2c1ccccc1
-16658	mol	c(nc2)ccc2c1ccccn1
-16659	mol	C(NC2)CCC2C1CCCO1
-16660	mol	C(NC2)CCC2C1CC=CO1
-16661	mol	c(nc2)ccc2c1cocc1
-16662	mol	C(NC2)CCC2c1cocc1
-16663	mol	CNCC
-16664	mol	CNC=C
-16665	mol	CNC(c1ccccc1)=O
-16666	mol	CNC(C1CCCCC1)=O
-16667	mol	CNCCC
-16668	mol	CN(C)C=C
-16669	mol	CNC(C)C1CCCCC1
-16670	mol	CNCCCC
-16671	mol	CNC(C)CC
-16672	mol	CNC(C)(C)C
-16673	mol	CNCCCCC
-16674	mol	CNCCCCCC
-16675	mol	CNCCCC(C)C
-16676	mol	CNCCCCCCC
-16677	mol	CNCCCC(C)CC
-16678	mol	CNCCCCCCCC
-16679	mol	CNCCC(C)CCCC
-16680	mol	CNCCC(CC)C=O
-16681	mol	CNCC(CC)C=O
-16682	mol	CNCCCCN
-16683	mol	CN(C)CCC=O
-16684	mol	CNCCCN
-16685	mol	CNCCCNC
-16686	mol	CNCCC(N)C
-16687	mol	CNCCCNCC
-16688	mol	CN(C)CC(N)C=O
-16689	mol	CN(C)C(=O)N
-16690	mol	CNCl
-16691	mol	CNC=O
-16692	mol	CNC(=O)C=O
-16693	mol	CNC(=O)C(O)=O
-16694	mol	CNC(=O)N
-16695	mol	CNC(O)=O
-16696	mol	CNN
-16697	mol	CNNc1ccccc1
-16698	mol	CN(N)c1ccccc1
-16699	mol	CN(N)c1ccccc1C
-16700	mol	CN(N)c1ccccc1N
-16701	mol	CN(N)C=C
-16702	mol	CN(N)c(cccc1O)c1C
-16703	mol	CN(N)C=O
-16704	mol	CNNC=O
-16705	mol	CNOC1CCCCC1
-16706	mol	CNOCCCC
-16707	mol	CNOC=O
-16708	mol	CN(=O)=O
-16709	mol	CN[SiH3]
-16710	mol	CO
-16711	mol	COC
-16712	mol	COc1ccccc1
-16713	mol	COC1CCCCC1
-16714	mol	COc1ccccc1C
-16715	mol	COC1CCCCC1C
-16716	mol	COC1CCCCC1CC
-16717	mol	COC1CC(CCC1)C(C)CC
-16718	mol	COC1CCC(CC1)C(C)CC
-16719	mol	COc1ccccc1C=O
-16720	mol	COC1CCCCC1C=O
-16721	mol	COC1CC(CCC1)C(O)=O
-16722	mol	COC1CCC(CC1)C(O)=O
-16723	mol	COc1ccccc1F
-16724	mol	COC1CCCCC1N
-16725	mol	COc1ccccc1O
-16726	mol	COC1CCCCC1O
-16727	mol	COc1cccc(C=O)c1CC
-16728	mol	COc1cccc(C=O)c1O
-16729	mol	COc1ccccn1
-16730	mol	COc1ccc(C=O)cc1
-16731	mol	COc1ccc(C=O)cc1CC
-16732	mol	COC1CCCO1
-16733	mol	COC1=CCCO1
-16734	mol	COC1CC=CO1
-16735	mol	COC1(CC=CO1)C=C
-16736	mol	COc1cc(C=O)ccc1
-16737	mol	COc1cc(C=O)ccc1O
-16738	mol	COc1cc(C(O)=O)ccc1
-16739	mol	COc1cc(C(O)=O)ccc1C
-16740	mol	COc1ccncc1
-16741	mol	COC1C=COC1
-16742	mol	COc1ccoc1C=C
-16743	mol	COc1ccoc1C#C
-16744	mol	COc1cocc1
-16745	mol	COc1c(OC=O)cccc1O
-16746	mol	COc1occc1
-16747	mol	COc2oc(C1C=COC1)cc2
-16748	mol	COCC
-16749	mol	COC=C
-16750	mol	COC#C
-16751	mol	C(OC=C1c2ccccc2)C1
-16752	mol	C(OC=C1c2ccccn2)C1
-16753	mol	C(OC=C1C2CC=CO2)C1
-16754	mol	C(OC=C1c2ccncc2)C1
-16755	mol	C(OC=C1C2C=COC2)C1
-16756	mol	c(occ1c2cocc2)c1
-16757	mol	C(OC=C1c2cocc2)C1
-16758	mol	C(OC=C1C2=COCC2)C1
-16759	mol	C(OC=C1c2occc2)C1
-16760	mol	C(OC=C1Cc2ccccc2)C1
-16761	mol	c(occ1C=Cc2cocc2)c1
-16762	mol	C(OC=C1C#Cc2cocc2)C1
-16763	mol	c(occ1C=Cc2occc2)c1
-16764	mol	COCC1CCCCC1
-16765	mol	COC(C1CCCCC1)=O
-16766	mol	COC(C1CCCO1)=O
-16767	mol	C(OC=C1Oc2ccccc2)C1
-16768	mol	C(OC=C1[SiH2]c2ccccc2)C1
-16769	mol	C(OC=C2C1CC=CO1)C2
-16770	mol	C(OC=C2c1cocc1)C2
-16771	mol	C(OC=C2c1occc1)C2
-16772	mol	C(OC=C2CC1CC=CO1)C2
-16773	mol	C(OC=C2C=Cc1cocc1)C2
-16774	mol	c(occ2C=Cc1occc1)c2
-16775	mol	C(OC=C2Oc1occc1)C2
-16776	mol	COCCC
-16777	mol	COC=CC
-16778	mol	COC(C)C
-16779	mol	COc(cc1)ccc1O
-16780	mol	COC#CC1CCCCC1
-16781	mol	COC#CC1CCCO1
-16782	mol	COc(cc1F)c(F)c(F)c1F
-16783	mol	COCCCC
-16784	mol	COC=CCC
-16785	mol	COC=CC=C
-16786	mol	COC=CC#C
-16787	mol	COC(=C)C#C
-16788	mol	COC(C)CC
-16789	mol	COC(C)=CC
-16790	mol	COC(C)(C)C
-16791	mol	COC(C)C#C
-16792	mol	COC#CCC
-16793	mol	COC#CC#C
-16794	mol	COCC(C)C
-16795	mol	COCCC=C
-16796	mol	COc(ccc1CC)cc1C=O
-16797	mol	COCC(C)c1ccccc1
-16798	mol	COC(C)CC1CCCCC1
-16799	mol	COCC(C)C1CCCCC1
-16800	mol	COC(C(C)C1CCCCC1)=O
-16801	mol	COCCCCC
-16802	mol	COC(C)(C)CC
-16803	mol	COC(C)C(C)C
-16804	mol	COC(C)CC=C
-16805	mol	COC(CC)CC
-16806	mol	COC#CC(C)C
-16807	mol	COCCCCC1CCCCC1
-16808	mol	COC(C)(CC)C1CCCCC1
-16809	mol	COC(CC)CC1CCCCC1
-16810	mol	COCCCCCC
-16811	mol	COC(C)(C)C(C)C
-16812	mol	COC(C)(CC)CC
-16813	mol	COC(C)C(C)CC
-16814	mol	COC(C)C(C)(C)C
-16815	mol	COC(C)CC(C)C
-16816	mol	COC(C#C)=CC#C
-16817	mol	COC(CC)C(C)C
-16818	mol	COC#CC(C)(C)C
-16819	mol	COCC(C)CCC
-16820	mol	COCC(C)C(C)C
-16821	mol	COCCC=C(C)C
-16822	mol	COCCCC(C)C
-16823	mol	COCCCCCCC
-16824	mol	COC(C)(C)CC(C)C
-16825	mol	COC(C)C(C)C(C)C
-16826	mol	COCC(CC)C(C)C
-16827	mol	COCCCC(C)CC
-16828	mol	COCCCCC(C)C
-16829	mol	COC(C)C(C)C(C)CC
-16830	mol	COC(C)C(CC)C(C)C
-16831	mol	COC(C)CCC(C)CC
-16832	mol	COCC(CCC)C(C)C
-16833	mol	COCCC(CC)C(C)C
-16834	mol	COCCCC(CC)CC
-16835	mol	COCC(C)(C)C(C)(C)CC
-16836	mol	COCCCC(C)CCCC
-16837	mol	COCCCC(C)(CC)CC
-16838	mol	COCCCC(CC)CCC
-16839	mol	COCCCC(CC)C(C)C
-16840	mol	COCCCCC(C)CCC
-16841	mol	COCCCCC(CC)CC
-16842	mol	COCCCCCC(C)CC
-16843	mol	COC(CC(C)C)C(C)C(C)C
-16844	mol	COCC(C)C(CC)C(C)CC
-16845	mol	COCCCC(C(C)C)C(C)C
-16846	mol	COCCCC(CC)C(C)CC
-16847	mol	COCCCC(CCC)C(C)C
-16848	mol	COCCCC(CC)C(CC)CCC
-16849	mol	COCCCC(CC)C(CC)C(C)C
-16850	mol	COCCCC(CC)C(CC)C=O
-16851	mol	COC(CC)(CC)C(C(C)C)=O
-16852	mol	COCC(C)(C)C(C)(C)CC=O
-16853	mol	COCCCC(CC)(CC)C=O
-16854	mol	COC(C)(CC)C(C(C)C)=O
-16855	mol	COCC(C)(C)C(C)(C)C(O)C
-16856	mol	COC(CC)CC(C)C=O
-16857	mol	COCCCC(CC)C(O)C
-16858	mol	COC(C)C(C(C)CC)OC=O
-16859	mol	COCC(C)(CC(C)C)OC=O
-16860	mol	COC(C)(C(C)C)CC(O)=O
-16861	mol	COC(C)(CC)CC=O
-16862	mol	COC(C)C(CC)C=O
-16863	mol	COC(CC)(CC)C=O
-16864	mol	COC(CC)C(C)C=O
-16865	mol	COC(CC)CCC=O
-16866	mol	COCC(C)(CC)C=O
-16867	mol	COCC(CC)CC=O
-16868	mol	COCCC(CC)C=O
-16869	mol	COC(CC)(CC)C(O)C
-16870	mol	COCC(C)(CCC)OC=O
-16871	mol	COC(C(C)C)C=O
-16872	mol	COC(C)(CC)C=O
-16873	mol	COC(C)C(C)C=O
-16874	mol	COC(C)CCC=O
-16875	mol	COC(C)(CC)C(O)C
-16876	mol	COCC(CC)C(O)C
-16877	mol	COCC(CC)C(O)=O
-16878	mol	COCCCCC(O)=O
-16879	mol	COC(CC)CNC=O
-16880	mol	COCCCCO
-16881	mol	COC(C)=CC=O
-16882	mol	COC(C)(C)C=O
-16883	mol	COC(C)CC=O
-16884	mol	COC(CC)C=O
-16885	mol	COCC(C)C=O
-16886	mol	COCC(CC)=O
-16887	mol	COC(C)(C)C(O)C
-16888	mol	COC(C)C(C)OC
-16889	mol	COCCCC(O)C
-16890	mol	COC(C)C(C)OC(C)C
-16891	mol	COCCCCOCCCC
-16892	mol	COC(CC)(C=O)C(CC)=O
-16893	mol	COC(C)C(C)OC=O
-16894	mol	COC(CC)(C=O)C=O
-16895	mol	COCC(C)(C)OC=O
-16896	mol	COCC(C)COC=O
-16897	mol	COC(CC)(C=O)C(O)=O
-16898	mol	COCC(C)(C)OC(O)=O
-16899	mol	COC(CC)C(O)=O
-16900	mol	COCC(C)C(O)=O
-16901	mol	COCCCC(O)=O
-16902	mol	COC(C)(CC(O)=O)C=O
-16903	mol	COCC(C)(CO)OC=O
-16904	mol	COC(C)CN
-16905	mol	COC(C)C(N)C=O
-16906	mol	COCCCO
-16907	mol	COC=CC=O
-16908	mol	COC(C)CO
-16909	mol	COC(C)C=O
-16910	mol	COC(CC)=O
-16911	mol	COCC(C)=O
-16912	mol	COCCC=O
-16913	mol	COC(C)C(O)C
-16914	mol	COCCCOCCC
-16915	mol	COC(C)COC(C)CC
-16916	mol	COC(C)C(O)C=O
-16917	mol	COCC(C)OC=O
-16918	mol	COCC(C)(OC=O)CC(O)=O
-16919	mol	COCC(C)(OC=O)C=O
-16920	mol	COC(C)(C=O)C(O)=O
-16921	mol	COC(C)C(O)OC=O
-16922	mol	COC(Cl)=O
-16923	mol	COC(CN)CC=O
-16924	mol	COCCO
-16925	mol	COC=CO
-16926	mol	COC(C)=O
-16927	mol	COC#CO
-16928	mol	COCC=O
-16929	mol	COC(CO)CC
-16930	mol	COCC(O)(C)C
-16931	mol	COC(CO)C(C)C
-16932	mol	COC(CO)(C(C)C)CC(O)=O
-16933	mol	COCC(O)(C)OC=O
-16934	mol	COC#N
-16935	mol	COC=O
-16936	mol	COC(=O)c1ccccc1O
-16937	mol	COC(=O)c1cocc1
-16938	mol	COC(=O)c1occc1
-16939	mol	COCOCC
-16940	mol	COC(=O)C=C
-16941	mol	COC(=O)C#C
-16942	mol	COC(O)CC
-16943	mol	COC(O)=CC
-16944	mol	COC(O)(C)C
-16945	mol	COC(=O)C(C1CCCCC1)=O
-16946	mol	COCOCCC
-16947	mol	COC(O)(C)CC
-16948	mol	COCOC(C)C
-16949	mol	COC(=O)C#CC#C
-16950	mol	COC(O)(C)CC=O
-16951	mol	COC(O)(C)C=O
-16952	mol	COC(OC=C)=O
-16953	mol	COC(=O)C(N)=CO
-16954	mol	COC(=O)C=O
-16955	mol	COC(O)C(O)C
-16956	mol	COC(=O)C(O)=O
-16957	mol	COC(OC=O)=O
-16958	mol	COC(OC(O)=O)=O
-16959	mol	COC(=O)N
-16960	mol	COC(=O)NC=O
-16961	mol	COC(O)=O
-16962	mol	CONC
-16963	mol	CONc1ccccc1
-16964	mol	CONc1ccccc1F
-16965	mol	CONCCCC
-16966	mol	CONC(C)CC
-16967	mol	CONC=O
-16968	mol	CONC(=O)N
-16969	mol	CO[NH](O)=O
-16970	mol	CONN
-16971	mol	COOc1ccccc1
-16972	mol	COOCC
-16973	mol	COOCCCC
-16974	mol	COOC(C)=O
-16975	mol	COOC=O
-16976	mol	COOC(OC=O)=O
-16977	mol	COOC(O)=O
-16978	mol	C[Si](Br)(C1CC=CO1)C=O
-16979	mol	C[Si](C1CCCO1)(C#N)C=C=C
-16980	mol	C[Si](C=O)(c1cocc1)N(=O)=O
-16981	mol	C[SiH2]C1CC=CO1
-16982	mol	C[SiH2]c1cocc1
-16983	mol	C[SiH2]c1occc1
-16984	mol	C[SiH2]C=C
-16985	mol	C[SiH2]C(O)=O
-16986	mol	C[SiH](Br)C=O
-16987	mol	C[SiH](C1CCCO1)C2CCOC2
-16988	mol	C[SiH](C1CC=CO1)N(=O)=O
-16989	mol	C[SiH](C1C=COC1)C=CC=C=C
-16990	mol	C[SiH](c1cocc1)N(=O)=O
-16991	mol	C[SiH](C#N)c1ccccc1
-16992	mol	F
-16993	mol	FBr
-16994	mol	FC
-16995	mol	Fc1cc(Br)ccc1
-16996	mol	FC1CC(Br)CCC1
-16997	mol	Fc1cc(Br)cc(C=C=C)c1Cl
-16998	mol	Fc1cc(Br)co1
-16999	mol	FC1CC(Br)=CO1
-17000	mol	Fc1cc(Br)nc([SiH3])c1
-17001	mol	Fc1cc(Br)oc1
-17002	mol	Fc1ccc(Br)cc1
-17003	mol	FC1CCC(Br)CC1
-17004	mol	Fc1ccc(Br)cc1F
-17005	mol	Fc1ccccc1
-17006	mol	FC1CCCCC1
-17007	mol	Fc1ccccc1Br
-17008	mol	Fc1ccccc1C
-17009	mol	FC1CCCCC1C
-17010	mol	Fc1ccccc1C#C
-17011	mol	FC1CCC(CC1)C=C
-17012	mol	FC1CCCCC1C=C
-17013	mol	FC1CCCCC1C#C
-17014	mol	Fc1cc(ccc1)C=C=C
-17015	mol	Fc1ccc(cc1)C=C=C
-17016	mol	Fc1ccccc1C=C=C
-17017	mol	FC1CCC(CC1C)C=C
-17018	mol	Fc1cccc(c1C=C)NC=O
-17019	mol	Fc1ccccc1Cl
-17020	mol	Fc1ccccc1C#N
-17021	mol	FC1CCCCC1C#N
-17022	mol	Fc1cc(ccc1C#N)N(=O)=O
-17023	mol	Fc1ccccc1C=O
-17024	mol	Fc1cc(ccc1)C(=O)N
-17025	mol	Fc1ccccc1C(=O)N
-17026	mol	FC1CC(CCC1)C(O)=O
-17027	mol	Fc1ccccc1F
-17028	mol	FC1CCCCC1F
-17029	mol	FC1CCC(CC1F)C=C=C
-17030	mol	FC1CCCC(C1F)C=C=C
-17031	mol	FC1CCCC(C1F)C(O)=O
-17032	mol	Fc1ccccc1N
-17033	mol	FC1CCCC(C1N)C=C
-17034	mol	Fc1ccc(cc1)NC=O
-17035	mol	Fc1cc(ccc1)N(=O)=O
-17036	mol	Fc1ccccc1N(=O)=O
-17037	mol	Fc1ccccc1O
-17038	mol	FC1CCCCC1O
-17039	mol	Fc1ccccc1ON(=O)=O
-17040	mol	Fc1ccccc1[SiH3]
-17041	mol	Fc1ccc(C)cc1
-17042	mol	Fc1cc(C)ccc1
-17043	mol	FC1CC(C)CCC1
-17044	mol	Fc1cccc(C)c1C=C
-17045	mol	Fc1cccc(C)c1F
-17046	mol	Fc1cccc(C)c1O
-17047	mol	Fc1ccc(C=C)cc1
-17048	mol	Fc1ccc(C#C)cc1
-17049	mol	Fc1cc(C=C)ccc1
-17050	mol	Fc1cc(C#C)ccc1
-17051	mol	Fc1ccc(C#C)cc1Br
-17052	mol	Fc1ccc(C=C)cc1C
-17053	mol	Fc1ccc(C#C)cc1C
-17054	mol	Fc1cccc(C=C)c1C=C
-17055	mol	Fc1cc(C=C)ccc1C=C
-17056	mol	Fc1c(C=C)cccc1C=C
-17057	mol	Fc1ccc(C=C)cc1F
-17058	mol	Fc1ccc(C#C)cc1F
-17059	mol	Fc1ccc(C#C)cc1N
-17060	mol	Fc1cccc(C=C)c1O
-17061	mol	Fc1ccc(C=C)cc1O
-17062	mol	Fc1cc(C=C=C)cc(Br)c1
-17063	mol	Fc1ccc(C)c(C=C)c1F
-17064	mol	Fc1cc(C)c(C=C)cc1F
-17065	mol	Fc1cc(C=C)cc(C)c1F
-17066	mol	Fc1ccc(C)c(C=C)c1O
-17067	mol	Fc1ccc(C=C)c(C)c1O
-17068	mol	Fc1cc(C=C)c(C=C)cc1F
-17069	mol	Fc1ccc(C=C)c(C=C)c1O
-17070	mol	Fc1ccc(C=C)c(F)c1C
-17071	mol	Fc1ccc(C=C)c(F)c1C=C
-17072	mol	Fc1ccc(C=C)c(F)c1O
-17073	mol	Fc1cc(C=C)cc(N)c1F
-17074	mol	Fc1ccc(C=C)c(N)c1O
-17075	mol	Fc1cc(C=C)cc(O)c1
-17076	mol	Fc1cc(C=C)cc(O)c1C=C
-17077	mol	Fc1ccc(C=C)c(O)c1F
-17078	mol	Fc1ccc(C=C)c(O)c1N
-17079	mol	Fc1ccc(C=C)c(O)c1O
-17080	mol	Fc1ccc(C)c(F)c1F
-17081	mol	Fc1cc(C=C)c(F)cc1C=O
-17082	mol	Fc1cc(C=C)c(F)c(C)c1F
-17083	mol	Fc1cc(C=C)c(F)c(N)c1O
-17084	mol	Fc1cc(C=C)c(F)c(O)c1O
-17085	mol	Fc1cccc(Cl)c1Br
-17086	mol	Fc1cccc(Cl)c1F
-17087	mol	Fc1cccc(Cl)c1N
-17088	mol	Fc1cccc(C#N)c1F
-17089	mol	Fc1cc(C=C)co1
-17090	mol	Fc1cc(C)cc(O)c1
-17091	mol	Fc1cccc(C=O)c1F
-17092	mol	Fc1ccc(C)c(O)c1O
-17093	mol	Fc1cc(C=C=C)oc1[SiH3]
-17094	mol	Fc1cc(C=C)c(O)cc1C=C
-17095	mol	Fc1cc(C)c(C=O)cc1O
-17096	mol	Fc1cc(C=C)c(O)c(C)c1F
-17097	mol	Fc1cc(C=C)c(O)c(F)c1F
-17098	mol	Fc1cc(C=C)c(O)c(O)c1O
-17099	mol	Fc1cccc(F)c1C
-17100	mol	Fc1cccc(F)c1C=C
-17101	mol	FC1CCCC(F)C1C=C
-17102	mol	Fc1cccc(F)c1C#N
-17103	mol	Fc1cccc(F)c1F
-17104	mol	Fc1ccc(c(F)c1F)NC=O
-17105	mol	Fc1cc(cc(F)n1)C=C=C
-17106	mol	Fc1ccc(Cl)cc1
-17107	mol	Fc1ccccn1
-17108	mol	FC1CC(CCN1)C=C
-17109	mol	Fc1cccc(N)c1F
-17110	mol	Fc1cccc(N)c1O
-17111	mol	Fc1ccc(c(N)c1O)C(=O)N
-17112	mol	Fc1ccc(C#N)cc1
-17113	mol	Fc1ccc(C#N)c(F)c1F
-17114	mol	FC1(C)CCCO1
-17115	mol	Fc1cccc(O)c1C=C
-17116	mol	Fc1cccc(O)c1C#N
-17117	mol	Fc1cccc(O)c1C=O
-17118	mol	Fc1cccc(O)c1F
-17119	mol	FC1CCCC(O)C1F
-17120	mol	Fc1cccc(O)c1N
-17121	mol	Fc1cccc(O)c1O
-17122	mol	Fc1ccc(C=O)cc1
-17123	mol	Fc1ccc(C=O)cc1F
-17124	mol	Fc1ccc(C=O)cc1O
-17125	mol	Fc1ccc(C=O)c(F)c1F
-17126	mol	Fc1ccc(C=O)nc1F
-17127	mol	Fc1cccc([SiH3])c1C#N
-17128	mol	Fc1cccc([SiH3])c1F
-17129	mol	Fc1cc(cc([SiH3])n1)C=C=C
-17130	mol	Fc1ccc(F)cc1
-17131	mol	FC1CCC(F)CC1
-17132	mol	Fc1ccc(F)c(c1O)C(=O)N
-17133	mol	Fc1ccc(F)c(C=C)c1O
-17134	mol	Fc1ccc(F)c(C=O)c1O
-17135	mol	Fc1ccc(F)c(F)c1F
-17136	mol	Fc1ccc(F)c(N)c1F
-17137	mol	Fc1ccc(F)c(N)c1O
-17138	mol	Fc1ccc(F)c(O)c1F
-17139	mol	Fc1cc(Cl)ccc1
-17140	mol	FC1CC(Cl)CCC1
-17141	mol	FC1CC(Cl)CC(Cl)C1
-17142	mol	Fc1cc(Cl)co1
-17143	mol	Fc1cc(Cl)oc1
-17144	mol	FC1CCCNC1
-17145	mol	Fc1ccc(N)cc1
-17146	mol	FC1(C)CCNCC1
-17147	mol	Fc1cc(C#N)ccc1
-17148	mol	Fc1cc(C#N)ccc1C#N
-17149	mol	Fc1cc(C#N)cc(F)c1F
-17150	mol	Fc1ccc(N)c(F)c1F
-17151	mol	Fc1ccc(N)c(F)c1O
-17152	mol	Fc1cc(C#N)c(F)c(F)c1F
-17153	mol	FC1CCCO1
-17154	mol	FC1CC=CO1
-17155	mol	FC1(CC=CO1)C#C
-17156	mol	FC1CC(CO1)C#C
-17157	mol	Fc1cc(co1)C=C=C
-17158	mol	FC1(CC=CO1)C=C=C
-17159	mol	FC1(CCCO1)C=C=C
-17160	mol	FC1CC(CO1)C=C=C
-17161	mol	FC1(CCCO1)C#N
-17162	mol	FC1CC(CO1)C#N
-17163	mol	Fc1cc(C)oc1
-17164	mol	Fc1ccc(O)cc1
-17165	mol	Fc1ccc(O)c(c1F)C(=O)N
-17166	mol	Fc1cc(C=O)ccc1
-17167	mol	Fc1cc(C=O)ccc1C=C
-17168	mol	Fc1ccc(O)c(C=C)c1C=C
-17169	mol	Fc1ccc(O)c(C=C)c1F
-17170	mol	Fc1ccc(O)c(C=C)c1O
-17171	mol	Fc1ccc(O)c(C=O)c1C=O
-17172	mol	Fc1cc(C=O)c(C=O)cc1O
-17173	mol	Fc1ccc(O)c(F)c1F
-17174	mol	Fc1ccc(O)c(F)c1O
-17175	mol	Fc1cc(C=O)c(F)c(F)c1F
-17176	mol	Fc1ccc(O)c(O)c1F
-17177	mol	Fc1ccc(O)c(O)c1N
-17178	mol	Fc1ccc(O)c(O)c1O
-17179	mol	Fc1cc(C=O)c(O)c(O)c1N
-17180	mol	Fc1ccc([SiH3])c(C#N)c1F
-17181	mol	Fc1ccc([SiH3])c(F)c1F
-17182	mol	Fc1cc(F)ccc1
-17183	mol	Fc1cc(F)c(C=C)cc1F
-17184	mol	Fc1cc(F)c(C=C)cc1O
-17185	mol	Fc1cc(F)c(C=C)c(C)c1O
-17186	mol	Fc1cc(F)c(C=C)c(F)c1O
-17187	mol	Fc1cc(F)c(C=C)c(O)c1F
-17188	mol	Fc1cc(F)c(C=C)c(O)c1N
-17189	mol	Fc1cc(F)c(C=C)c(O)c1O
-17190	mol	Fc1cc(F)c(C)c(O)c1N
-17191	mol	FC1CC(F)C(C(O)C1O)C=C
-17192	mol	Fc1cc(F)c(F)cc1F
-17193	mol	Fc1cc(F)c(F)c(F)c1F
-17194	mol	Fc1cc(F)c(N)cc1F
-17195	mol	Fc1cc(F)c(N)cc1O
-17196	mol	Fc1cc(F)c(N)c(O)c1O
-17197	mol	FC1CC(F)CO1
-17198	mol	Fc1cc(F)c(O)cc1F
-17199	mol	Fc1cc(F)c(O)cc1O
-17200	mol	Fc1cc(F)c(O)c(F)c1F
-17201	mol	Fc1cc(F)c(O)c(F)c1O
-17202	mol	Fc1cc(F)c(O)c(N)c1F
-17203	mol	Fc1cc(F)c(O)c(O)c1F
-17204	mol	Fc1ccncc1
-17205	mol	FC1CCNCC1
-17206	mol	FC1CCNCC1Br
-17207	mol	FC1(CCNCC1)C=C
-17208	mol	Fc1ccncc1C#N
-17209	mol	FC1CCNCC1N
-17210	mol	FC1CCNCC1O
-17211	mol	Fc1cc(N)ccc1
-17212	mol	Fc1ccnc(C=C=C)c1Br
-17213	mol	Fc1cc(N)c(C=C)cc1O
-17214	mol	Fc1cc(N)c(C)c(O)c1F
-17215	mol	Fc1cc(N)cc(F)c1
-17216	mol	Fc1cc(N)cc(O)c1
-17217	mol	Fc1cc(N)c(C=O)cc1O
-17218	mol	Fc1cc(N)c(F)c(F)c1O
-17219	mol	FC1CC(N)CNC1
-17220	mol	Fc1cc(N)c(O)cc1O
-17221	mol	Fc1cc(N)c(O)c(O)c1F
-17222	mol	Fc1cc(nc([SiH3])c1)C=C=C
-17223	mol	FC1CCOC1
-17224	mol	FC1C=COC1
-17225	mol	Fc1ccoc1Br
-17226	mol	FC1CC(OC1)C=C
-17227	mol	FC1CCOC1C#C
-17228	mol	Fc1cc(oc1)C=C=C
-17229	mol	Fc1ccoc1C=C=C
-17230	mol	FC1C=COC1C=C=C
-17231	mol	FC1CCOC1C#N
-17232	mol	FC1CCOC1(C)N(=O)=O
-17233	mol	Fc1ccoc1F
-17234	mol	Fc1cc(oc1F)C=C=C
-17235	mol	Fc1ccoc1N
-17236	mol	FC1CCOC1(OC=O)C(O)=O
-17237	mol	FC1CCOC1(OC=O)N(=O)=O
-17238	mol	Fc1cc(O)ccc1
-17239	mol	Fc1cc(O)c(cc1O)C(=O)N
-17240	mol	Fc1cc(O)c(C)cc1F
-17241	mol	Fc1cc(O)c(C)cc1O
-17242	mol	Fc1cc(O)c(C=C)cc1C
-17243	mol	Fc1cc(O)c(C=C)cc1C=C
-17244	mol	Fc1cc(O)c(C=C)cc1F
-17245	mol	Fc1cc(O)c(C=C)cc1O
-17246	mol	Fc1cc(O)c(C=C)c(F)c1F
-17247	mol	Fc1cc(O)c(C=C)c(N)c1F
-17248	mol	Fc1cc(O)c(C=C)c(N)c1O
-17249	mol	Fc1cc(O)cc(O)c1
-17250	mol	Fc1cc(O)c(F)cc1O
-17251	mol	Fc1cc(O)c(F)c(C=C)c1F
-17252	mol	Fc1cc(O)c(F)c(F)c1F
-17253	mol	Fc1cc(O)c(F)c(O)c1F
-17254	mol	Fc1cc(O)c(N)cc1C
-17255	mol	Fc1cc(O)c(N)cc1F
-17256	mol	Fc1cc(O)c(N)cc1N
-17257	mol	Fc1cc(O)c(N)cc1O
-17258	mol	Fc1cc(O)c(N)c(C=C)c1F
-17259	mol	FC1CC(O)=CO1
-17260	mol	Fc1cc(O)c(O)cc1F
-17261	mol	Fc1cc(O)c(O)cc1N
-17262	mol	Fc1cc(O)c(O)cc1O
-17263	mol	Fc1cc(O)c(O)c(C)c1F
-17264	mol	Fc1cc(O)c(O)c(C=C)c1F
-17265	mol	Fc1cc(O)c(O)c(F)c1F
-17266	mol	Fc1cc(O)c(O)c(N)c1F
-17267	mol	Fc1cc(O)c(O)c(N)c1O
-17268	mol	Fc1cc([SiH3])ccc1
-17269	mol	Fc1cc([SiH3])ncc1
-17270	mol	Fc1c(F)c(F)c(O)c(F)c1F
-17271	mol	Fc1c(F)c(N)c(O)c(O)c1F
-17272	mol	Fc1c(F)c(O)c(O)c(O)c1F
-17273	mol	FC1(Cl)CC=CO1
-17274	mol	Fc1cnccc1C=C
-17275	mol	Fc1cnccc1C#N
-17276	mol	Fc1cnccc1O
-17277	mol	Fc1coc(Br)c1C
-17278	mol	Fc1coc(Br)c1C=O
-17279	mol	Fc1coc(Br)c1N(=O)=O
-17280	mol	Fc1cocc1
-17281	mol	Fc1cocc1C
-17282	mol	Fc1cocc1C=C=C
-17283	mol	FC1COC=C1Cl
-17284	mol	Fc1c(occ1C=O)C=C=C
-17285	mol	Fc1coc(C#N)c1C=O
-17286	mol	Fc1coc(F)c1C
-17287	mol	Fc1coc(F)c1C=O
-17288	mol	Fc1coc(O)c1C#C
-17289	mol	FC1(F)CCCO1
-17290	mol	FC1(F)CCNCC1N(=O)=O
-17291	mol	FC1(F)CCOC1(F)C=C=C
-17292	mol	FC1(F)C=COC1(F)C=C=CF
-17293	mol	Fc1nc(Br)cc(C=C=C)c1F
-17294	mol	Fc1nccc(c1F)C=C=C
-17295	mol	Fc1nccc(C#N)c1Br
-17296	mol	FC1(N)CC=CO1
-17297	mol	Fc1nc(Cl)ccc1
-17298	mol	FC1(N)CCNCC1
-17299	mol	Fc1oc(Br)cc1
-17300	mol	FC1OC(Br)CC1
-17301	mol	Fc1oc(Br)cc1C#N
-17302	mol	FC1OC(Br)CC1O
-17303	mol	Fc1occc1
-17304	mol	Fc1occc1Br
-17305	mol	Fc1occ(c1Br)N(=O)=O
-17306	mol	FC1OC=CC1C
-17307	mol	Fc1occc1C=C
-17308	mol	Fc1occc1C#C
-17309	mol	FC1OC(CC1)C=C
-17310	mol	FC1OC(CC1)C#C
-17311	mol	Fc1oc(cc1)C=C=C
-17312	mol	Fc1oc(cc1)C#CC=C=C
-17313	mol	Fc1occc1Cl
-17314	mol	Fc1occc1C#N
-17315	mol	FC1OC(CC1)C=O
-17316	mol	FC1OCCC1C(O)=O
-17317	mol	FC1OCC(C1C(O)=O)C#C
-17318	mol	FC1(OCCC1C(O)=O)OC=O
-17319	mol	FC1OCCC1O
-17320	mol	FC1OC(CC1O)C#N
-17321	mol	FC1OCC(C1O)C#N
-17322	mol	FC1OC(CC1O)C(O)=O
-17323	mol	Fc1occc1[SiH3]
-17324	mol	Fc1oc(C)c(Br)c1O
-17325	mol	Fc1oc(C)cc1
-17326	mol	FC1OC(C)CC1
-17327	mol	Fc1occ(C=C=C)c1[SiH3]
-17328	mol	Fc1oc(C=C=C)c(F)c1C=O
-17329	mol	FC1(O)CCCO1
-17330	mol	Fc1occ(C=O)c1C#N
-17331	mol	Fc1occ(C=O)c1F
-17332	mol	Fc1oc(Cl)cc1
-17333	mol	Fc1oc(C#N)cc1
-17334	mol	Fc1oc(C#N)c(C=C=C)c1F
-17335	mol	Fc1oc(F)cc1
-17336	mol	FC1OC(F)=CC1
-17337	mol	Fc1oc([SiH3])cc1
-17338	mol	Fc2c1ccccc1oc2
-17339	mol	Fc2c1ccoc1c(F)cc2
-17340	mol	Fc2c1occc1ccc2
-17341	mol	Fc2c1occc1c([SiH3])cc2
-17342	mol	Fc2cc1c(cc2)occ1C=O
-17343	mol	Fc2cc1ccoc1c(Br)c2C
-17344	mol	Fc2cc1ccoc1c(Br)c2F
-17345	mol	Fc2cc1ccoc1cc2
-17346	mol	Fc2cc1ccoc1cc2F
-17347	mol	Fc2cc1ccoc1c(C)c2F
-17348	mol	Fc2cc1ccoc1c(O)c2
-17349	mol	Fc2cc1ccoc1c([SiH3])c2F
-17350	mol	Fc2cc1occc1cc2
-17351	mol	Fc2cc1occc1cc2Cl
-17352	mol	Fc2cc1occc1c(F)c2[SiH3]
-17353	mol	Fc2cc(C1CC=CO1)ccc2
-17354	mol	Fc2ccc1ccoc1c2Br
-17355	mol	Fc2ccc1ccoc1c2C#N
-17356	mol	Fc2ccc1ccoc1c2[SiH3]
-17357	mol	Fc2cc(C1CCOC1)ccc2
-17358	mol	Fc2cccc1c2occ1F
-17359	mol	Fc2cccc1c2occ1[SiH3]
-17360	mol	Fc2ccc(C1=CCCO1)cc2
-17361	mol	Fc2ccc(C1CC=CO1)cc2
-17362	mol	Fc2ccc(C1CCCO1)cc2
-17363	mol	Fc2ccc(C1C=COC1)cc2
-17364	mol	Fc2ccc(C1CCOC1)cc2
-17365	mol	Fc2ccccc2c1ccccc1
-17366	mol	FC2CCC(CC2)C1CCCCC1
-17367	mol	Fc2ccccc2C1CCCO1
-17368	mol	Fc2ccccc2C1=CCCO1
-17369	mol	Fc2ccccc2C1CC=CO1
-17370	mol	Fc2ccccc2C1CCOC1
-17371	mol	Fc2ccccc2C1C=COC1
-17372	mol	Fc2ccccc2c1cocc1
-17373	mol	Fc2cc(ccc2)c1cocc1
-17374	mol	Fc2ccc(cc2)c1cocc1
-17375	mol	FC2CCCCC2c1cocc1
-17376	mol	FC2CCC(CC2)c1cocc1
-17377	mol	Fc2ccccc2c1occc1
-17378	mol	Fc2cc(ccc2)c1occc1
-17379	mol	Fc2cccc(C=O)c2c1ccccc1
-17380	mol	FC2(CCCO2)C1CC=CO1
-17381	mol	FC2CC(CO2)c1ccncc1
-17382	mol	FC2(CCCO2)C1C=COC1
-17383	mol	Fc2cc(co2)c1cocc1
-17384	mol	Fc2ccc(O)c1c2occ1[SiH3]
-17385	mol	Fc2cc(N1CCCCC1)co2
-17386	mol	Fc2ccncc2C1CCCO1
-17387	mol	FC2(CCNCC2)c1cocc1
-17388	mol	Fc2cc(O)c1ccoc1c2[SiH3]
-17389	mol	Fc2cc(oc2)c1ccccc1
-17390	mol	Fc2ccoc2C1CCCO1
-17391	mol	FC2CC(OC2)C1CC=CO1
-17392	mol	FC2CCOC2C1CCNCC1
-17393	mol	Fc2ccoc2C1CCOC1
-17394	mol	Fc2ccoc2c1cocc1
-17395	mol	Fc2cc(oc2)c1cocc1
-17396	mol	Fc2cc([SiH3])c1ccoc1c2O
-17397	mol	Fc2cocc2c1cocc1
-17398	mol	FC2(F)OCCC2c1cocc1
-17399	mol	Fc2nc(C1CC=CO1)ccc2
-17400	mol	Fc2oc1ccccc1c2
-17401	mol	Fc2oc1ccccc1c2C
-17402	mol	Fc2oc1ccccc1c2Cl
-17403	mol	Fc2oc1ccccc1c2F
-17404	mol	Fc2oc(C1CCCCC1)cc2
-17405	mol	Fc2occ(c1occc1)c2Br
-17406	mol	Fc2occc2c1ccccc1
-17407	mol	Fc2oc(cc2)c1ccccc1
-17408	mol	Fc2occc2C1CC=CO1
-17409	mol	Fc2occc2c1cocc1
-17410	mol	FC2OC(CC2)c1cocc1
-17411	mol	Fc2oc(N1CCCCC1)cc2
-17412	mol	FCBr
-17413	mol	FC(Br)Br
-17414	mol	FC(Br)=C
-17415	mol	FC(Br)C1CC=CO1
-17416	mol	FC(Br)=CC1CC=CO1
-17417	mol	FC(Br)C=C=C
-17418	mol	FC(Br)=C=C(c1cocc1)C#N
-17419	mol	FC(Br)=C=CC=C=C
-17420	mol	FC(Br)=C=C(C#C)C=C=C
-17421	mol	FC(Br)=C=C(C#C)C(O)=O
-17422	mol	FC(Br)=C=CC#N
-17423	mol	FC(Br)=C=C(C#N)C=O
-17424	mol	FCC
-17425	mol	FC=C
-17426	mol	FC#C
-17427	mol	FC(C1CCCCC1)=C
-17428	mol	FC(c1ccccc1)=C=C
-17429	mol	FC(C1CCCCC1)=C=C
-17430	mol	FC(c1ccccc1)C=C=C
-17431	mol	FC(C1CCCCC1C=C)=O
-17432	mol	FC(C1CC(CCC1)C(O)=O)=O
-17433	mol	FC(C1CCCCC1)=O
-17434	mol	FC(C1CCCCN1)=O
-17435	mol	FC(C1CCCNC1)=CC=C
-17436	mol	FCC1CCCO1
-17437	mol	FCC1CC=CO1
-17438	mol	FC(C1CCCO1)=C=C
-17439	mol	FC(C1CCCO1)C=C=CF
-17440	mol	FC(C1=CCCO1)=C=CC#N
-17441	mol	FC(C1CCCO1)=C=CC(O)=O
-17442	mol	FC(C1(CC=CO1)C=C)=O
-17443	mol	FC(C1(CC=CO1)C(F)=C)=O
-17444	mol	FC(C1(CC=CO1)C=O)=C
-17445	mol	FC(C1CC=CO1)N(=O)=O
-17446	mol	FC(C1CC=CO1)=O
-17447	mol	FC(C1CCOC1)=C=C
-17448	mol	FC(C1C=COC1)=C=CC=C
-17449	mol	FC(C1C=COC1)=CC#CC=C
-17450	mol	FC(c1cocc1)=C=C
-17451	mol	FC(c1cocc1)=C=CC=C
-17452	mol	FC(c1occc1)=C=C
-17453	mol	FC=CBr
-17454	mol	FC=C(Br)C=C=C
-17455	mol	FCCC
-17456	mol	FC=CC
-17457	mol	FC=C=C
-17458	mol	FC(C)C
-17459	mol	FC#CC
-17460	mol	FCC=C
-17461	mol	Fc(cc1c2C)oc1c(F)cc2
-17462	mol	Fc(cc1ccc2)oc1c2C
-17463	mol	Fc(cc1ccc2)oc1c2C=C
-17464	mol	Fc(cc1ccc2)oc1c2F
-17465	mol	FC=Cc1ccccc1
-17466	mol	FC#CC1CCCCC1
-17467	mol	FC=C(c1ccccc1)C=C=C
-17468	mol	FC(C)(C1CCCCC1)C(O)=O
-17469	mol	FC(C)c1ccccc1O
-17470	mol	Fc(cc1C)cc(C=C)c1O
-17471	mol	Fc(cc1C=C)cc(C=C)c1O
-17472	mol	FC=CC1CCCCN1
-17473	mol	FC#Cc1cccnc1
-17474	mol	FCCC1CCCO1
-17475	mol	FC=CC1CC=CO1
-17476	mol	FC(C)C1CCCO1
-17477	mol	FC(C)C1CC=CO1
-17478	mol	FC#CC1CCCO1
-17479	mol	FC#CC1CC=CO1
-17480	mol	FCCC1CC=CO1
-17481	mol	FC(=CC1CCCO1)C=C
-17482	mol	FC#CC1(CC=CO1)C=C
-17483	mol	FC#CC1(CC=CO1)C=C=C
-17484	mol	FC=C(C1CC=CO1)C#CC=C
-17485	mol	FC=C(C1CC=CO1)C#CC=O
-17486	mol	FC=C(C1CC=CO1)NC=C
-17487	mol	FC(CC1C#C)OC1C(O)=O
-17488	mol	Fc(cc1Cl)cc(C=C=C)c1F
-17489	mol	Fc(cc1C)oc1C
-17490	mol	FC=Cc1cocc1
-17491	mol	FC(C)c1cocc1
-17492	mol	FC(=Cc1cocc1)C#CC=C
-17493	mol	Fc(cc1F)cc(C)c1C=C
-17494	mol	Fc(cc1F)cc(C)c1O
-17495	mol	Fc(cc1F)cc(C=C)c1O
-17496	mol	Fc(cc1F)cc(F)c1O
-17497	mol	Fc(cc1F)cc(N)c1C=C
-17498	mol	Fc(cc1F)cc(N)c1O
-17499	mol	Fc(cc1F)cc(O)c1C
-17500	mol	Fc(cc1F)cc(O)c1C=C
-17501	mol	Fc(cc1F)cc(O)c1F
-17502	mol	Fc(cc1F)cc(O)c1N
-17503	mol	Fc(cc1F)cc(O)c1O
-17504	mol	Fc(cc1N)oc1F
-17505	mol	FC=Cc1occc1
-17506	mol	FC#Cc1occc1
-17507	mol	FC#Cc1occc1C=C
-17508	mol	Fc(cc1O)cc(c1O)NC=O
-17509	mol	Fc(cc1O)cc(C)c1O
-17510	mol	Fc(cc1O)cc(C=C)c1N
-17511	mol	Fc(cc1O)cc(C=C)c1O
-17512	mol	Fc(cc1O)cc(N)c1C=C
-17513	mol	Fc(cc1O)cc(N)c1F
-17514	mol	Fc(cc1O)c(N)c(C)c1O
-17515	mol	Fc(cc1O)c(N)c(F)c1O
-17516	mol	Fc(cc1O)c(O)c(C)c1F
-17517	mol	Fc(cc1O)c(O)c(C=C)c1F
-17518	mol	Fc(cc1O)c(O)c(C=O)c1F
-17519	mol	Fc(cc1O)c(O)c(F)c1F
-17520	mol	Fc(cc1O)c(O)c(N)c1F
-17521	mol	Fc(cc1O)c(O)c(O)c1F
-17522	mol	Fc(cc1O)oc1C=O
-17523	mol	FC=Cc2cc1occc1cc2
-17524	mol	FCCCBr
-17525	mol	FC=C=CBr
-17526	mol	FCC(C)(Br)C1CC=CO1
-17527	mol	FCCC(Br)C=C=C
-17528	mol	FCCC(Br)(CC)C(N)C
-17529	mol	FCCCC
-17530	mol	FC=C=CC
-17531	mol	FC=CC=C
-17532	mol	FC=CC#C
-17533	mol	FC(C)C=C
-17534	mol	FC(C)C#C
-17535	mol	FC#CC=C
-17536	mol	FC#CC#C
-17537	mol	FCC=C=C
-17538	mol	FCC(C)C
-17539	mol	FCCC=C
-17540	mol	FC(CCC1Br)CC1Cl
-17541	mol	Fc(ccc1C)cc1O
-17542	mol	FC(CCC1C=C)CC1Cl
-17543	mol	FC(CCC1C=C)CC1C(O)=O
-17544	mol	Fc(ccc1C=C)cc1F
-17545	mol	Fc(ccc1C#C)cc1F
-17546	mol	Fc(ccc1C=C)cc1N
-17547	mol	Fc(ccc1C=C)cc1O
-17548	mol	FCCCC1CCCCC1
-17549	mol	FCC(C)C1CCCCC1
-17550	mol	FC=C=C(c1ccccc1)C#C
-17551	mol	FC=C=Cc1ccccc1O
-17552	mol	FC=C=CC1CCCO1
-17553	mol	FC=C=CC1CC=CO1
-17554	mol	FC(=C=C)C1=CCCO1
-17555	mol	FC(C)(C)C1CCCO1
-17556	mol	FCC(C)C1CC=CO1
-17557	mol	FCCCC1CCNCC1
-17558	mol	Fc(ccc1Cl)cc1C#C
-17559	mol	FCCCc1cocc1
-17560	mol	FC=C=Cc1cocc1
-17561	mol	FC(C)(C)c1cocc1
-17562	mol	FC(CCC1C=O)CC1C#C
-17563	mol	Fc(ccc1C=O)cc1O
-17564	mol	Fc(ccc1F)cc1C=C
-17565	mol	Fc(ccc1F)cc1Cl
-17566	mol	Fc(ccc1F)cc1C=O
-17567	mol	Fc(ccc1F)cc1F
-17568	mol	Fc(ccc1F)cc1N
-17569	mol	Fc(ccc1F)cc1O
-17570	mol	Fc(ccc1F)cc1[SiH3]
-17571	mol	Fc(ccc1F)nc1F
-17572	mol	Fc(ccc1N)cc1O
-17573	mol	Fc(ccc1NC=O)cc1O
-17574	mol	Fc(ccc1O)cc1C
-17575	mol	Fc(ccc1O)cc1C=C
-17576	mol	Fc(ccc1O)cc1F
-17577	mol	Fc(ccc1O)cc1N
-17578	mol	Fc(ccc1O)cc1O
-17579	mol	FC=C=Cc1occc1
-17580	mol	Fc(ccc1O)c(C)c1O
-17581	mol	FC(CCC2C1CCCCC1)CC2Cl
-17582	mol	FC(C#C)=C(Br)NC=C
-17583	mol	FCCCCC
-17584	mol	FC=C=CC=C
-17585	mol	FC=C=CC#C
-17586	mol	FC=CC=C=C
-17587	mol	FC(=C=C)C=C
-17588	mol	FC(=C)C=C=C
-17589	mol	FC(C)C=C=C
-17590	mol	FC(C)C(C)C
-17591	mol	FC(C)CC=C
-17592	mol	FC(C#C)C=C
-17593	mol	FCC(C)CC
-17594	mol	FC(=C)c(cc1cc2)oc1cc2
-17595	mol	FC=CC#CC1CCCO1
-17596	mol	FC(C=C)=CC1=CCCO1
-17597	mol	FCC(C)CC1CC=CO1
-17598	mol	FCCCCc1cocc1
-17599	mol	FC(C)(C=C)c1cocc1
-17600	mol	FC#Cc(cc1)oc1Cl
-17601	mol	FC(C=C=C)=C(Br)C=C=C
-17602	mol	FCCCCCC
-17603	mol	FC=C=CC=C=C
-17604	mol	FC=CC#CC=C
-17605	mol	FC(=C=C)C=C=C
-17606	mol	FC(=C)C#CC#C
-17607	mol	FC(C=C)=CC=C
-17608	mol	FC(C=C)=CC#C
-17609	mol	FC(C)(C)C=C=C
-17610	mol	FC(C)C#CC=C
-17611	mol	FC(C)CC=C=C
-17612	mol	FC(C)CC(C)C
-17613	mol	FC(C#C)=CC=C
-17614	mol	FC#CC=CC=C
-17615	mol	FC#CC#CC=C
-17616	mol	FCC(C)CC#C
-17617	mol	FCCC(C)C=C
-17618	mol	FC(C#C)=C=Cc1ccccc1
-17619	mol	FC(C=C)=C=CC1CCCCC1
-17620	mol	FC(C=C)=C=CC1C=COC1
-17621	mol	FC(C)c(ccc1F)c(F)c1F
-17622	mol	FCCCCCCC
-17623	mol	FC=C=C(C#C)C=C
-17624	mol	FC(C)(CC=C)C#C
-17625	mol	FC#CC=CC=C=C
-17626	mol	FC#CC(=C)C=C=C
-17627	mol	FCC(C)(C=C)C=C
-17628	mol	FCC(C)CC(C)C
-17629	mol	FCCCCC(C)C
-17630	mol	FC(CC#C)C(C)C1C=COC1
-17631	mol	FC=C=C(C=C)C=C=C
-17632	mol	FC=CC#CC#CC=C
-17633	mol	FC(=C)C#CC#CC=C
-17634	mol	FC(=CC=C)C#CC=C
-17635	mol	FC(C=C)=C(C#C)C=C
-17636	mol	FC(C=C)=C(C#C)C#C
-17637	mol	FC(C=C)=CC#CC=C
-17638	mol	FC(C#C)=C(C#C)C=C
-17639	mol	FC#CC(C=C)=CC=C
-17640	mol	FCC(C)(C#C)C=C=C
-17641	mol	FCC(C)CCC(C)C
-17642	mol	FCCC(C)c(ccc1)cc1O
-17643	mol	FC(C=C=C)=CC#CC=C
-17644	mol	FC(C)(C#C)C(C=C)C=C
-17645	mol	FC(C#CC=C)=CC=C=C
-17646	mol	FC#CC=C(C=C)C=C=C
-17647	mol	FCC(CC=C)(C#C)C=C
-17648	mol	FCCCCC(C)CCC
-17649	mol	FC(=CC#C)C#CC#CC=C
-17650	mol	FC#CC#CC(C=C)=CC#C
-17651	mol	FC#CC(C=C)=C(C=C)C(O)=O
-17652	mol	FC(C#CC#CC=C)=CN(=O)=O
-17653	mol	FCC(CC(C)C)CC(O)=O
-17654	mol	FC(C=C=C)C=C=CF
-17655	mol	FC=C=CC=C=CC=O
-17656	mol	FC(C=C)=C(C#C)C=O
-17657	mol	FCC(C)(C)CCl
-17658	mol	FC=C=C(C=C=C)N(=O)=O
-17659	mol	FC(C=C=C)=C(C=O)C=C=CN
-17660	mol	FCCC(C)C(F)(F)C(F)(F)F
-17661	mol	FCC(C)CCl
-17662	mol	FCC(C)(CCl)CC=C=C
-17663	mol	FCC(C)(CCl)C=O
-17664	mol	FC=Cc(c(Cl)oc1Cl)c1Cl
-17665	mol	FC=CC#CC#N
-17666	mol	FC(=C)C#CC#N
-17667	mol	FC#CC=CC#N
-17668	mol	FC=C=C(C=C)N(=O)=O
-17669	mol	FC(=C=CC=C)N(=O)=O
-17670	mol	FC(=C)C#CC=O
-17671	mol	FC(C=C)=CC=O
-17672	mol	FCC(C)CC=O
-17673	mol	FCCCCC(O)=O
-17674	mol	FCC(C)CF
-17675	mol	FCCCC(F)F
-17676	mol	FCCCCl
-17677	mol	FC=C=CCl
-17678	mol	FC=C=C(Cl)C1CC=CO1
-17679	mol	FC=C=C(Cl)C=C
-17680	mol	FC=C=C(Cl)C#C
-17681	mol	FC=C=C(Cl)C=C=C
-17682	mol	FCC(CCl)CC=C=C
-17683	mol	FCC(C)(Cl)C#N
-17684	mol	FC=C=C(C#N)C=C=C
-17685	mol	FC=CC#CN(=O)=O
-17686	mol	FC(C=C)=CN(=O)=O
-17687	mol	FC(C)C(C)N(=O)=O
-17688	mol	FCC(C)CN(=O)=O
-17689	mol	FC=C=CC=O
-17690	mol	FC(=C=C)C=O
-17691	mol	FC(C)CC=O
-17692	mol	FCCCC=O
-17693	mol	FCCC(CO)CC
-17694	mol	FCCC(CO)C#C
-17695	mol	FC(C)CC(=O)C(O)=O
-17696	mol	FCCC=C(O)N
-17697	mol	FC=C=CC(O)=O
-17698	mol	FCCCC(O)=O
-17699	mol	FC=C=CF
-17700	mol	FC=C=C(F)C=C
-17701	mol	FC=C=C(F)F
-17702	mol	FC=CCl
-17703	mol	FC#CCl
-17704	mol	FC=C(Cl)c1cocc1
-17705	mol	FC=C(Cl)C#CC=C
-17706	mol	FC=C(Cl)C#CN(=O)=O
-17707	mol	FCCCN
-17708	mol	FC=C=CN
-17709	mol	FC(C)=CN
-17710	mol	FC(C)C#N
-17711	mol	FC#CC#N
-17712	mol	FC(=CC#N)C=C=C
-17713	mol	FC=C=CN(=O)=O
-17714	mol	FC(=C=C)N(=O)=O
-17715	mol	FCCCN(=O)=O
-17716	mol	FCCCO
-17717	mol	FC(=C)C=O
-17718	mol	FC#CC=O
-17719	mol	FC(C)C(O)C
-17720	mol	FCCC(O)C
-17721	mol	FC#CC(=O)C=C
-17722	mol	FC(C)(C=O)Cc1ccncc1
-17723	mol	FCCC(O)(C)CCF
-17724	mol	FCC(CO)CCl
-17725	mol	FC(C)(C)OC=O
-17726	mol	FCCC(O)CO
-17727	mol	FCCC(O)C=O
-17728	mol	FCC(COC=O)(C#C)C=C=C
-17729	mol	FCC(COC=O)CN(=O)=O
-17730	mol	FC=C=C(O)N(=O)=O
-17731	mol	FCCC(O)=O
-17732	mol	FC(CC(O)=O)C=C
-17733	mol	FC(C)(C)[Si](F)(F)C#C
-17734	mol	FC=C=C[SiH3]
-17735	mol	FC(C)=C([SiH3])N
-17736	mol	FC=CF
-17737	mol	FC#CF
-17738	mol	FCC(F)C
-17739	mol	FCC(F)CC
-17740	mol	FCC(F)(C)C
-17741	mol	FCC(F)C(C)c1occc1
-17742	mol	FCC(F)C(N)C
-17743	mol	FCC(F)(F)C
-17744	mol	FCC(F)(N)CC
-17745	mol	FCC(F)(O)C=C
-17746	mol	FC(C(F)(O)C=C)C=C
-17747	mol	FCC(F)(O)C(F)(O)C=C
-17748	mol	FCC(F)(O)O
-17749	mol	FCCl
-17750	mol	FC(Cl)=C
-17751	mol	FC(Cl)=C=C
-17752	mol	FC(Cl)=C(C=C=C)N(=O)=O
-17753	mol	FC(Cl)C(C)(Cl)C#N
-17754	mol	FC(Cl)(C=C=C)N(=O)=O
-17755	mol	FC(Cl)C(C)(C=O)CN(=O)=O
-17756	mol	FC(Cl)=C(C)N(=O)=O
-17757	mol	FC=CN
-17758	mol	FCC(N)C1CCCCC1
-17759	mol	FC#CNc1cocc1
-17760	mol	FCC(N)CC
-17761	mol	FCC(N)(C)C
-17762	mol	FC#CNC=C=C
-17763	mol	FC(C#N)=C=CC=C=C
-17764	mol	FC=C(N)C#CN(=O)=O
-17765	mol	FC(C(N)(C#N)C=O)CC=C=C
-17766	mol	FC(=C)NC=O
-17767	mol	FC=C(N)C(O)=O
-17768	mol	FCC[NH](O)=O
-17769	mol	FCCO
-17770	mol	FC=CO
-17771	mol	FC#CO
-17772	mol	FCCOC
-17773	mol	FC=C(O)C
-17774	mol	FCC(O)C
-17775	mol	FCC(O)CC
-17776	mol	FCC(O)C=C
-17777	mol	FCC(O)(C)c1cocc1
-17778	mol	FC(C=O)=C(C=C=C)N(=O)=O
-17779	mol	FC(C=O)C=C=CF
-17780	mol	FCC(O)(C=C)C(F)(O)C(=O)N
-17781	mol	FCC(O)CC#N
-17782	mol	FC(C=O)=C(C=O)C=C=CN
-17783	mol	FC(C=O)=C(F)C=C=C
-17784	mol	FCC(O)C(F)(F)O
-17785	mol	FCC(O)(C(F)(F)O)C=C
-17786	mol	FCC(O)C(F)(O)C(C)C
-17787	mol	FC=COC=O
-17788	mol	FC(C)OC=O
-17789	mol	FC(COC=O)(C#C)CC=C=C
-17790	mol	FCC(O)N
-17791	mol	FCC(O)(N)N
-17792	mol	FCC(O)=O
-17793	mol	FC(C(O)=O)c1ccccc1
-17794	mol	FC(C(O)=O)C=C=C
-17795	mol	FCC(O)OC=O
-17796	mol	FC(C(O)=O)C(O)=O
-17797	mol	FC=C[SiH2]C=C
-17798	mol	FC=C([SiH2]C=C)C1CC=CO1
-17799	mol	FC=C[SiH3]
-17800	mol	FC=C([SiH3])C#CC=C
-17801	mol	FC=C([SiH3])N
-17802	mol	FC=C([SiH3])N(=O)=O
-17803	mol	FCF
-17804	mol	FC(F)C
-17805	mol	FC(F)=C
-17806	mol	FC(F)C1CC=CO1
-17807	mol	FC(F)(C1CCCO1)C=C=CF
-17808	mol	FC(F)=C=C
-17809	mol	FC(F)(C)C
-17810	mol	FC(F)=CC1CC=CO1
-17811	mol	FC(F)=Cc1cocc1
-17812	mol	FC(F)C=C=C
-17813	mol	FC(F)C(C)C
-17814	mol	FC(F)CC=C
-17815	mol	FC(F)=C(C)C1CC=CO1
-17816	mol	FC(F)C(C)CC1CCCCC1
-17817	mol	FC(F)C(C)(C)c1ccccn1
-17818	mol	FC(F)C(C)(C)c1ccncc1
-17819	mol	FC(F)(C)CC=C=C
-17820	mol	FC(F)(C=C=C)C=C=C
-17821	mol	FC(F)(C)c(cccc1F)c1F
-17822	mol	FC(F)(C=C=C)C=C=CC=O
-17823	mol	FC(F)(C=C=C)C=C=CF
-17824	mol	FC(F)C(C)(C)Cl
-17825	mol	FC(F)CCC(F)F
-17826	mol	FC(F)CCC(F)(F)F
-17827	mol	FC(F)C(C)(Cl)CC(O)=O
-17828	mol	FC(F)(C)C(C)NC=O
-17829	mol	FC(F)=C(C#C)N(=O)=O
-17830	mol	FC(F)C(C)CN(=O)=O
-17831	mol	FC(F)C(C)(C=O)C=C
-17832	mol	FC(F)C(C)COC=O
-17833	mol	FC(F)(C=C)C(O)=O
-17834	mol	FC(F)(C)C(F)C=C
-17835	mol	FC(F)CC#N
-17836	mol	FC(F)CC=O
-17837	mol	FC(F)(CC=O)C=C=CF
-17838	mol	FC(F)(C)C(=O)N
-17839	mol	FC(F)CC(=O)N
-17840	mol	FC(F)CC(=O)NO
-17841	mol	FC(F)CC(=O)N(O)C(F)(F)C
-17842	mol	FC(F)CC(=O)N(O)NC=O
-17843	mol	FC(F)(C)C(O)=O
-17844	mol	FC(F)=C(F)C1CC=CO1
-17845	mol	FC(F)(Cl)C=C=C
-17846	mol	FC(F)=CN
-17847	mol	FC(F)=C(N)C#CN(=O)=O
-17848	mol	FC(F)C[NH](O)=O
-17849	mol	FC(F)=CN(=O)=O
-17850	mol	FC(F)C(O)(C)C=C
-17851	mol	FC(F)(C(O)=O)C(C)=C
-17852	mol	FC(F)=C([SiH3])N
-17853	mol	FC(F)(F)C
-17854	mol	FC(F)(F)CC1CCCCC1
-17855	mol	FC(F)(F)CC=C
-17856	mol	FC(F)(F)CCC(F)(F)F
-17857	mol	FC(F)(F)CCC(O)(C)C
-17858	mol	FC(F)(F)CC#N
-17859	mol	FC(F)(F)CC=O
-17860	mol	FC(F)(F)C(F)(F)C
-17861	mol	FC(F)(F)C(F)(F)CC=C
-17862	mol	FC(F)(F)C(F)(F)CC=CC=C
-17863	mol	FC(F)(F)C(F)(F)CCC#N
-17864	mol	FC(F)(F)C(F)(F)CC#N
-17865	mol	FC(F)(F)C(F)(F)C(C)NC=O
-17866	mol	FC(F)(F)C(F)(F)CC=O
-17867	mol	FC(F)(F)C(F)(F)CC(O)C#N
-17868	mol	FC(F)(F)C(F)(F)CC(=O)N
-17869	mol	FC(F)(F)C(F)(F)CC(O)=O
-17870	mol	FC(F)(F)C(F)(F)C[NH](O)=O
-17871	mol	FC(F)(F)C(F)(F)C(O)C#N
-17872	mol	FC(F)(F)C(F)(F)C(O)C=O
-17873	mol	FC(F)(F)C(F)(F)C(O)C(=O)N
-17874	mol	FC(F)(F)C(F)(F)C(O)[NH](O)=O
-17875	mol	FC(F)(F)CNC=O
-17876	mol	FC(F)(F)C[NH](O)=O
-17877	mol	FC(F)(F)O
-17878	mol	FC(F)=O
-17879	mol	FC(F)(O)C=C
-17880	mol	FC(F)(O)CC1CCCCC1
-17881	mol	FC(F)(O)C(O)C=C
-17882	mol	FC#N
-17883	mol	FC(N)C
-17884	mol	Fc(nc1F)cc(c1F)C=C=C
-17885	mol	Fc(nc1F)cc(F)c1F
-17886	mol	FC(N)=C(Br)C=C=C
-17887	mol	FC(N)=C=C
-17888	mol	FCNC=C
-17889	mol	FC(N)(C)C1CCCCC1
-17890	mol	FC(N)CCN(=O)=O
-17891	mol	FC(N)(C)C(O)=O
-17892	mol	FC(N)=C(F)C=C=C
-17893	mol	FC(N)=CN(=O)=O
-17894	mol	FCNNC=O
-17895	mol	FCNOC=O
-17896	mol	FCN(=O)=O
-17897	mol	FCO
-17898	mol	FC=O
-17899	mol	FC(O)C
-17900	mol	FC(O)=C
-17901	mol	Fc(oc1C)cc1Br
-17902	mol	FC(=O)c1ccccc1
-17903	mol	FC(OC1CCCO1)=O
-17904	mol	FC(=O)c1cocc1
-17905	mol	Fc(oc1F)cc1C=C=C
-17906	mol	Fc(oc1F)cc1C=O
-17907	mol	Fc(oc1O)cc1Br
-17908	mol	Fc(oc2C)cc2c1cocc1
-17909	mol	FC(=O)C=C
-17910	mol	FC(O)C=C
-17911	mol	FC(O)=CC=C
-17912	mol	FC(O)C(C)C
-17913	mol	FC(O)=C=CC1CC=CO1
-17914	mol	FC(=O)C#CC=C
-17915	mol	FC(O)=CC=C=C
-17916	mol	FC(=O)C#CC(C)=C
-17917	mol	FC(O)(CC=C)C=C
-17918	mol	FC(=O)C#CC(C=C)=CC=C
-17919	mol	FC(O)=C=C(C=C)N(=O)=O
-17920	mol	FC(O)(C)C(F)C=C
-17921	mol	FC(OC=C)=O
-17922	mol	FC(O)(C)C(O)(C)C=C
-17923	mol	FC(O)CC(O)=O
-17924	mol	FC(O)C(F)(F)O
-17925	mol	FC(O)=C(F)N
-17926	mol	FC(O)C(F)(O)C
-17927	mol	FC(=O)C#N
-17928	mol	FC(OC#N)=O
-17929	mol	FC(=O)C=O
-17930	mol	FC(O)C(O)(C)C=C
-17931	mol	FC(O)COC=O
-17932	mol	FC(=O)C(O)=O
-17933	mol	FC(OC=O)=O
-17934	mol	FC(O)=C([SiH3])N
-17935	mol	FC(=O)N
-17936	mol	FC(O)(N)C=C
-17937	mol	FC(=O)NC(O)=O
-17938	mol	FC(O)=O
-17939	mol	FC(=O)Oc1ccccc1
-17940	mol	FC(O)(O)C=C
-17941	mol	FC(=O)OC=C=CC=C
-17942	mol	FC[SiH3]
-17943	mol	FC([SiH3])C1CCCO1
-17944	mol	FC([SiH3])CC=C
-17945	mol	FC([SiH3])=CC=C=C
-17946	mol	FC([SiH3])C(C=C)C=C
-17947	mol	FF
-17948	mol	FN
-17949	mol	FN1CCCCC1O
-17950	mol	FNBr
-17951	mol	FN(Br)C(=O)N
-17952	mol	FNc1ccccc1
-17953	mol	FNC1CCCCC1
-17954	mol	FN(c1ccccc1)C=C
-17955	mol	FNc1ccccc1O
-17956	mol	FNC1CC=CO1
-17957	mol	FNc1cocc1
-17958	mol	FN(c1cocc1)C=O
-17959	mol	FNCC
-17960	mol	FNC#C
-17961	mol	FNC#CBr
-17962	mol	FNCCC
-17963	mol	FNCC(C)C1CCCCC1
-17964	mol	FNCCC(Cl)CC
-17965	mol	FNCF
-17966	mol	FNCl
-17967	mol	FN(Cl)C(=C=C)C=C=C
-17968	mol	FN(Cl)C#N
-17969	mol	FNC(=O)N
-17970	mol	FNF
-17971	mol	FN(F)c1ccccc1
-17972	mol	FN(F)C(=O)C=C
-17973	mol	FNN
-17974	mol	FN(N)C#Cc1occc1
-17975	mol	FNNC=O
-17976	mol	FNO
-17977	mol	FN(O)C=C
-17978	mol	FN(O)C=C=C
-17979	mol	FN(O)C=CC=O
-17980	mol	FN(O)C=O
-17981	mol	FNOC=O
-17982	mol	FN(O)C(=O)C=C
-17983	mol	FNON
-17984	mol	FN(=O)=O
-17985	mol	FN([SiH3])c1cocc1
-17986	mol	FN([SiH3])N
-17987	mol	FO
-17988	mol	FOc1ccccc1
-17989	mol	FOC1CCCCC1
-17990	mol	FOCC
-17991	mol	FOC=C
-17992	mol	FOC(C1CCCCC1)=O
-17993	mol	FOC(C(C)C)=O
-17994	mol	FOC(C)=O
-17995	mol	FOC(F)=C(F)N
-17996	mol	FOC=O
-17997	mol	FOC(=O)c1ccccc1
-17998	mol	FOC(=O)c1ccccc1C=C
-17999	mol	FOC(=O)C=C
-18000	mol	FOC(=O)C=O
-18001	mol	FOC(=O)C(O)=O
-18002	mol	FOC(OC=O)=O
-18003	mol	FOC(=O)C(OO)=O
-18004	mol	FOC(OC(O)=O)=O
-18005	mol	FOC(=O)N
-18006	mol	FOC(=O)NC=O
-18007	mol	FOC(O)=O
-18008	mol	FOC(=O)OC(=O)C(OC=O)=O
-18009	mol	FOF
-18010	mol	FON
-18011	mol	FONC=O
-18012	mol	F[Si](Br)(C1CC=CO1)C=C=C
-18013	mol	F[Si](C1CC=CO1)(C#N)C=O
-18014	mol	F[Si](C1CC=CO1)(C=O)C=C=C
-18015	mol	F[Si](C)(C1CCCO1)C=C=C
-18016	mol	F[Si](C)(C=C)C=C=C
-18017	mol	F[Si](C)(C#C)C=C=C
-18018	mol	F[Si](C)(C=C=C)C=C=C
-18019	mol	F[Si](C=C)(C=C=C)C=C=C
-18020	mol	F[Si](C=C)(C=C=C)C=C=CC
-18021	mol	F[Si](Cl)(C1CCCNC1)C(O)=O
-18022	mol	F[Si](C#N)(C=C=C)c1cocc1
-18023	mol	F[Si](C#N)(C=O)C(F)=C=C(F)F
-18024	mol	F[Si](C=O)(C=C)C=C=C
-18025	mol	F[Si](C=O)(C=C)C(=C=C)C(O)=O
-18026	mol	F[Si](F)(C1CCCCC1)C=C=C
-18027	mol	F[Si](F)(c1ccccn1)C=C=C
-18028	mol	F[Si](F)(C1CCCNC1)C=C=C
-18029	mol	F[Si](F)(C1CCCO1)C#C
-18030	mol	F[Si](F)(C1CC=CO1)C=C=C
-18031	mol	F[Si](F)(C1CCCO1)C=C=C
-18032	mol	F[Si](F)(C1CCCO1)C([SiH3])=C=C
-18033	mol	F[Si](F)(c1ccncc1)C=C=C
-18034	mol	F[Si](F)(C1CCNCC1)C=C=C
-18035	mol	F[Si](F)(C1CCOC1)C=C
-18036	mol	F[Si](F)(C1CCOC1)C=C=C
-18037	mol	F[Si](F)(c1occc1)C=C=CF
-18038	mol	F[Si](F)(C=C)C(Br)=C=C
-18039	mol	F[Si](F)(C=C=C)c1cocc1
-18040	mol	F[Si](F)(C=C=C)c1occc1
-18041	mol	F[Si](F)(C=C)C=C=C
-18042	mol	F[Si](F)(C#C)C=C=C
-18043	mol	F[Si](F)(C=C)C=C=CBr
-18044	mol	F[Si](F)(C=C=C)C=C=C
-18045	mol	F[Si](F)(C=C)C=C=CC
-18046	mol	F[Si](F)(C=C=C)C=C=CC
-18047	mol	F[Si](F)(C#C)C=C=CC=C
-18048	mol	F[Si](F)(C=C=C)C=C=CC(O)=O
-18049	mol	F[Si](F)(C=C=C)C=C=CO
-18050	mol	F[Si](F)(C=C)C=C=C(F)F
-18051	mol	F[Si](F)(C#C)C=C=CO
-18052	mol	F[Si](F)(C=C)C=C=C(O)C
-18053	mol	F[Si](F)(C=C=C)C([SiH3])=C=C
-18054	mol	F[Si](F)(C=C=C)N(=O)=O
-18055	mol	F[Si](F)(Cl)C=C=C
-18056	mol	F[Si](F)(C#N)C=C=C
-18057	mol	F[Si](F)(C#N)C(C#C)=C=C
-18058	mol	F[Si](F)(C#N)C=C=C(F)C=C
-18059	mol	F[Si](F)(C#N)C=C=C(F)C=C=C
-18060	mol	F[Si](F)(C#N)C=C=CO
-18061	mol	F[Si](F)(C#N)C=C=C(O)C#C
-18062	mol	F[Si](F)(C#N)C(F)=C=CF
-18063	mol	F[Si](F)(C=O)C=C=C
-18064	mol	F[Si](F)(C=O)c(ccc1)cc1O
-18065	mol	F[Si](F)(C=O)C(C#C)=C=CF
-18066	mol	F[Si](F)(C=O)C=C=CF
-18067	mol	F[Si](F)(C=O)C(F)=C=CF
-18068	mol	F[Si](F)(C=O)C(F)=C=C(F)F
-18069	mol	F[Si](F)(C(O)=O)C=C=C
-18070	mol	F[Si](F)(F)C
-18071	mol	F[Si](F)(F)C1CCCO1
-18072	mol	F[Si](F)(F)C1CC=CO1
-18073	mol	F[Si](F)(F)c1ccncc1
-18074	mol	F[Si](F)(F)C#C
-18075	mol	F[Si](F)(F)C=C=C
-18076	mol	F[Si](F)(F)c(ccc1)cc1O
-18077	mol	F[Si](F)(F)C=C=CC1CCCO1
-18078	mol	F[Si](F)(F)C=C=CC1CCOC1
-18079	mol	F[Si](F)(F)C=C=Cc1occc1
-18080	mol	F[Si](F)(F)C=C=CC=C
-18081	mol	F[Si](F)(F)C=C=CC#C
-18082	mol	F[Si](F)(F)C(C)(C)C#C
-18083	mol	F[Si](F)(F)C(C#C)=C=C
-18084	mol	F[Si](F)(F)C=C=CC=C=C
-18085	mol	F[Si](F)(F)C(=C=C)C=C=C
-18086	mol	F[Si](F)(F)C(C=C)=C=CC=C
-18087	mol	F[Si](F)(F)C(C=C)=C=C(F)C=C
-18088	mol	F[Si](F)(F)C=C=CC(O)=O
-18089	mol	F[Si](F)(F)C=C=CF
-18090	mol	F[Si](F)(F)C=C=C(F)C=C
-18091	mol	F[Si](F)(F)C=C=C(F)F
-18092	mol	F[Si](F)(F)C=C=CN
-18093	mol	F[Si](F)(F)C=C=C(O)C#C
-18094	mol	F[Si](F)(F)C=C=C[SiH3]
-18095	mol	F[Si](F)(F)C(C#N)=C=CC=C=C
-18096	mol	F[Si](F)(F)C(F)=C=C
-18097	mol	F[Si](F)(F)C#N
-18098	mol	F[Si](F)(F)C(O)=O
-18099	mol	F[Si](F)(F)F
-18100	mol	F[Si](F)(F)N(=O)=O
-18101	mol	F[Si](F)(F)O
-18102	mol	F[Si](F)(F)[SiH2]OC=O
-18103	mol	F[Si](F)(F)[SiH3]
-18104	mol	F[Si](F)(N)C=C=C
-18105	mol	F[Si](F)(N)C=C=CN
-18106	mol	F[Si](F)(N(=O)=O)N(=O)=O
-18107	mol	F[Si](F)(O)c1ccccc1
-18108	mol	F[Si](F)(O)C1CCCO1
-18109	mol	F[Si](F)(O)C=C
-18110	mol	F[Si](F)(O)C=C=C
-18111	mol	F[Si](F)(OC=O)C1CC=CO1
-18112	mol	F[Si](F)([SiH2]OC=O)C=C=C
-18113	mol	F[Si](F)([SiH3])C=C=C
-18114	mol	F[SiH2]Br
-18115	mol	F[SiH2]C
-18116	mol	F[SiH2]c1ccccc1
-18117	mol	F[SiH2]C1CCCCC1
-18118	mol	F[SiH2]C1CCCO1
-18119	mol	F[SiH2]C1=CCCO1
-18120	mol	F[SiH2]C1CC=CO1
-18121	mol	F[SiH2]c1ccncc1
-18122	mol	F[SiH2]C1C=COC1
-18123	mol	F[SiH2]c1cocc1
-18124	mol	F[SiH2]C1OCCC1C
-18125	mol	F[SiH2]C1(OCCC1C)OC=O
-18126	mol	F[SiH2]c2oc1ccccc1c2
-18127	mol	F[SiH2]C=C
-18128	mol	F[SiH2]C#C
-18129	mol	F[SiH2]C=C=C
-18130	mol	F[SiH2]CC(C)C
-18131	mol	F[SiH2]C=C=Cc1occc1
-18132	mol	F[SiH2]C(F)=C(Br)C(C)C
-18133	mol	F[SiH2]Cl
-18134	mol	F[SiH2]C#N
-18135	mol	F[SiH2]C=O
-18136	mol	F[SiH2]F
-18137	mol	F[SiH2]N(=O)=O
-18138	mol	F[SiH2]O
-18139	mol	F[SiH2]OC=O
-18140	mol	F[SiH2]OC(=O)C#C
-18141	mol	F[SiH2]OC(=O)C#CC
-18142	mol	F[SiH2]OC(=O)C#Cc1cocc1
-18143	mol	F[SiH2]OC(=O)C#CCC
-18144	mol	F[SiH2]OC(=O)C#CO
-18145	mol	F[SiH2][Si](F)(F)F
-18146	mol	F[SiH2][SiH3]
-18147	mol	F[SiH](Br)C1CC=CO1
-18148	mol	F[SiH](Br)C1C=COC1
-18149	mol	F[SiH](Br)c1cocc1
-18150	mol	F[SiH](Br)C=C=C
-18151	mol	F[SiH](Br)C=O
-18152	mol	F[SiH](C1CCCCC1)C=C=C
-18153	mol	F[SiH](c1ccccn1)C=C=CO
-18154	mol	F[SiH](C1CCCNC1)C(O)=O
-18155	mol	F[SiH](C1CC=CO1)c2cocc2
-18156	mol	F[SiH](C1CCCO1)C=C=C
-18157	mol	F[SiH](C1CC=CO1)C#N
-18158	mol	F[SiH](C1CCCO1)C=O
-18159	mol	F[SiH](C1CC=CO1)C(O)=O
-18160	mol	F[SiH](C1CC=CO1)N(=O)=O
-18161	mol	F[SiH](c1ccncc1)C=C=C
-18162	mol	F[SiH](C1C=COC1)C#N
-18163	mol	F[SiH](C2CC=CO2)C1CC=CO1
-18164	mol	F[SiH](C)c1cocc1
-18165	mol	F[SiH](C=C)c1ccncc1
-18166	mol	F[SiH](C=C)c1cocc1
-18167	mol	F[SiH](C)C=C=C
-18168	mol	F[SiH](C=C=C)c1cocc1
-18169	mol	F[SiH](C=C)C=C=C
-18170	mol	F[SiH](C#C)C=C=C
-18171	mol	F[SiH](C=C=C)C=C=C
-18172	mol	F[SiH](C#C)C=C=Cc1occc1
-18173	mol	F[SiH](C(C)(C)C#C)C#N
-18174	mol	F[SiH](C#C)C(F)=C=C
-18175	mol	F[SiH](C=C=C)N(=O)=O
-18176	mol	F[SiH](C#C)N(=O)=O
-18177	mol	F[SiH](Cl)C1CCCCC1
-18178	mol	F[SiH](Cl)C1CC=CO1
-18179	mol	F[SiH](Cl)c1ccncc1
-18180	mol	F[SiH](Cl)C=C=C
-18181	mol	F[SiH](C#N)C=C=C
-18182	mol	F[SiH](C#N)C(C#C)=C=C
-18183	mol	F[SiH](C#N)C=O
-18184	mol	F[SiH](C=O)c(ccc1)cc1O
-18185	mol	F[SiH](C=O)N(=O)=O
-18186	mol	F[SiH](C(O)=O)C1=COCC1
-18187	mol	F[SiH](C(O)=O)C=C=C
-18188	mol	F[SiH](F)Br
-18189	mol	F[SiH](F)c1ccccc1
-18190	mol	F[SiH](F)C1CCCCC1
-18191	mol	F[SiH](F)c1ccccn1
-18192	mol	F[SiH](F)C1CCCNC1
-18193	mol	F[SiH](F)C1CCCO1
-18194	mol	F[SiH](F)C1CC=CO1
-18195	mol	F[SiH](F)c1ccncc1
-18196	mol	F[SiH](F)c1cocc1
-18197	mol	F[SiH](F)c2oc1ccccc1c2
-18198	mol	F[SiH](F)C(Br)=C=C
-18199	mol	F[SiH](F)C=C
-18200	mol	F[SiH](F)C=C=C
-18201	mol	F[SiH](F)C=C=CC#C
-18202	mol	F[SiH](F)C(C#C)=C=C
-18203	mol	F[SiH](F)C=C=CC=C=C
-18204	mol	F[SiH](F)C(C=C)=C=CC=C
-18205	mol	F[SiH](F)C=C=CC=O
-18206	mol	F[SiH](F)C=C=CF
-18207	mol	F[SiH](F)C=C=CN
-18208	mol	F[SiH](F)C=C=CO
-18209	mol	F[SiH](F)C(C#N)=C=CC=C=C
-18210	mol	F[SiH](F)C#N
-18211	mol	F[SiH](F)C=O
-18212	mol	F[SiH](F)C(O)=O
-18213	mol	F[SiH](F)F
-18214	mol	F[SiH](F)N(=O)=O
-18215	mol	F[SiH](F)O
-18216	mol	F[SiH](F)OC(=O)C#CC
-18217	mol	F[SiH](N)C1CCCCC1C=O
-18218	mol	F[SiH](N)C1CCCNC1
-18219	mol	F[SiH](N)C1CCCO1
-18220	mol	F[SiH](N)C1CC=CO1
-18221	mol	F[SiH](O)Br
-18222	mol	F[SiH](O)C1CCCO1
-18223	mol	F[SiH](O)C1CC=CO1
-18224	mol	F[SiH](O)c1ccncc1
-18225	mol	F[SiH](O)c2oc1ccccc1c2
-18226	mol	F[SiH](O)C=C=C
-18227	mol	F[SiH](O)C=C=CF
-18228	mol	F[SiH](O)C=O
-18229	mol	F[SiH](OC=O)C1CC=CO1
-18230	mol	F[SiH](O)N(=O)=O
-18231	mol	F[SiH](O)O
-18232	mol	F[Si](N)(C=C)C=C=C
-18233	mol	F[Si](N)(N)C=C=CF
-18234	mol	F[Si](O)(Br)C=C=C
-18235	mol	F[Si](O)(Br)C=C=CC
-18236	mol	F[Si](O)(Br)C=C=CF
-18237	mol	F[Si](O)(C1CCCO1)N(=O)=O
-18238	mol	F[Si](O)(C=C=C)N(=O)=O
-18239	mol	N
-18240	mol	n1ccccc1
-18241	mol	N1CCCCC1
-18242	mol	NBr
-18243	mol	NC1(Br)C=COC1(C=O)N(=O)=O
-18244	mol	Nc1cc(Br)c(F)cc1C#N
-18245	mol	Nc1cc(Br)co1
-18246	mol	Nc1cc(Br)ncc1
-18247	mol	NC1CCC(Br)CC1
-18248	mol	NC1CCC(Br)CC1C
-18249	mol	Nc1ccccc1
-18250	mol	NC1CCCCC1
-18251	mol	Nc1ccccc1Br
-18252	mol	NC1CCCCC1Br
-18253	mol	Nc1ccccc1C
-18254	mol	NC1CCCCC1C
-18255	mol	NC1CCC(CC1)C2CCCCCCC2
-18256	mol	Nc1ccccc1C=C
-18257	mol	NC1CCCCC1C=C
-18258	mol	Nc1cc(ccc1)C=C=C
-18259	mol	Nc1ccc(cc1)C=C=C
-18260	mol	Nc1ccccc1C=C=C
-18261	mol	NC1CCC(CC1C)C=C
-18262	mol	Nc1c(cccc1C#C)C=C=C
-18263	mol	NC1CCC(CC1)CC(N)(C)C
-18264	mol	Nc1c(cccc1C=C)NC=O
-18265	mol	NC1CCC(CC1C)C(O)=O
-18266	mol	Nc1ccccc1Cl
-18267	mol	NC1CC(CCC1)C#N
-18268	mol	Nc1ccccc1C=O
-18269	mol	NC1CCC(CC1)C=O
-18270	mol	Nc1cc(ccc1)C(=O)C=C
-18271	mol	Nc1cc(ccc1)C(=O)C=C=C
-18272	mol	Nc1ccc(cc1C=O)C(=O)N
-18273	mol	Nc1cc(ccc1)C(=O)N
-18274	mol	Nc1ccc(cc1)C(=O)N
-18275	mol	Nc1ccccc1C(=O)N
-18276	mol	NC1CCCCC1C(=O)N
-18277	mol	NC1CC(CCC1)C(=O)NC=O
-18278	mol	Nc1ccccc1C(=O)NO
-18279	mol	Nc1ccccc1C(=O)N(O)C
-18280	mol	NC1CC(CCC1)C(O)=O
-18281	mol	NC1CCCCC1C(O)=O
-18282	mol	Nc1ccccc1N
-18283	mol	NC1CCCCC1N
-18284	mol	Nc1cc(ccc1)NC=O
-18285	mol	Nc1ccc(cc1)NC=O
-18286	mol	Nc1ccccc1NC=O
-18287	mol	Nc1cccc(c1N)C(=O)N
-18288	mol	Nc1ccccc1NC(O)=O
-18289	mol	NC1CCC(CC1)NC(O)=O
-18290	mol	NC1CCCCC1N(N)C(O)=O
-18291	mol	NC1CCCCC1N(N)N
-18292	mol	Nc1cc(ccc1)N(=O)=O
-18293	mol	NC1CC(CCC1)N(=O)=O
-18294	mol	NC1CC(CCC1)OC=C
-18295	mol	NC1CCC(CC1)OC=C
-18296	mol	NC1CCCCC1OC=C
-18297	mol	NC1CC(CCC1)OC=O
-18298	mol	NC1CCCCC1OC(=O)C=C
-18299	mol	Nc1ccc(cc1O)C(=O)N
-18300	mol	Nc1cccc(c1O)C(=O)N
-18301	mol	Nc1ccccc1ONC=O
-18302	mol	Nc1ccc(C)cc1
-18303	mol	Nc1cc(C)ccc1
-18304	mol	Nc1cccc(C)c1C
-18305	mol	Nc1cccc(C)c1C=O
-18306	mol	Nc1cccc(C)c1N
-18307	mol	Nc1cccc(C)c1O
-18308	mol	Nc1ccc(C=C)cc1
-18309	mol	Nc1cc(C)cc(C)c1
-18310	mol	Nc1cc(C=C)ccc1
-18311	mol	Nc1cc(C#C)ccc1
-18312	mol	NC1CCCCCCC1
-18313	mol	Nc1ccc(C=C)cc1C
-18314	mol	Nc1cccc(C=C)c1C=C
-18315	mol	Nc1ccc(C=C)cc1C=O
-18316	mol	NC1CC(CCCCC1C=O)C(O)=O
-18317	mol	NC1CCCCCCC1C(ON)=O
-18318	mol	NC1CC(CCCCC1)C(O)=O
-18319	mol	Nc1cccc(C=C)c1F
-18320	mol	Nc1cccc(C=C)c1N
-18321	mol	NC1CCCCCCC1N
-18322	mol	NC1CC(CCCCC1NC=O)C(O)=O
-18323	mol	Nc1cccc(C=C)c1O
-18324	mol	NC1CCCCCCC1OC(=O)N
-18325	mol	NC1CCC(CCCC1OC(=O)N)C(O)=O
-18326	mol	NC1CCCCCC(N)C1C=O
-18327	mol	NC1CCCCCC(N)C1C(O)=O
-18328	mol	NC1CCCCCC(N)C1N
-18329	mol	Nc1ccc(C=C)c(N)c1O
-18330	mol	Nc1ccc(C=C)c(O)c1C
-18331	mol	Nc1ccc(C=C)c(O)c1O
-18332	mol	Nc1cc(C=C)c(F)c(O)c1O
-18333	mol	Nc1cc(C)cc(N)c1
-18334	mol	Nc1cc(C=C)c(N)c(O)c1O
-18335	mol	Nc1cccc(C=O)c1N
-18336	mol	Nc1ccc(C)c(O)c1N
-18337	mol	Nc1cc(C=C)c(O)c(O)c1N
-18338	mol	NC1CCCCN1
-18339	mol	Nc1cccc(N)c1C
-18340	mol	NC1CCCC(N)C1C(O)=O
-18341	mol	Nc1cccc(N)c1N
-18342	mol	NC1CCCC(N)C1N
-18343	mol	Nc1cccc(N)c1O
-18344	mol	NC1(C)CC=CO1
-18345	mol	Nc1ccc(C=O)cc1
-18346	mol	Nc1cc(Cl)ccc1
-18347	mol	NC1CCCNC1
-18348	mol	NC1CC(CNC1)C#C
-18349	mol	Nc1ccc(N)cc1
-18350	mol	NC1CCC(N)CC1
-18351	mol	NC1CCCO1
-18352	mol	NC1=CCCO1
-18353	mol	NC1CC=CO1
-18354	mol	N(C1CC=CO1)C2C=COC2
-18355	mol	NC1(CCCO1)C=C
-18356	mol	Nc1cc(co1)C=C=C
-18357	mol	NC1(CC=CO1)C=C=C
-18358	mol	Nc1cc(C=O)ccc1
-18359	mol	Nc1ccc(O)c(C=C)c1N
-18360	mol	Nc1ccc(O)c(C=C)c1O
-18361	mol	Nc1ccc(O)c(C=O)c1C
-18362	mol	Nc1cc(C=O)c(N)c(N)c1O
-18363	mol	Nc1cc(C=O)c(O)c(N)c1N
-18364	mol	Nc1cc(C=O)c(O)c(O)c1N
-18365	mol	Nc1cc(F)c(C=C)cc1O
-18366	mol	Nc1ccncc1
-18367	mol	NC1CCNCC1
-18368	mol	Nc1ccncc1C=C
-18369	mol	Nc1ccncc1C#C
-18370	mol	Nc1ccncc1C=C=C
-18371	mol	Nc1cc(N)ccc1
-18372	mol	NC1CC(N)CCC1
-18373	mol	Nc1cc(N)c(C)cc1N
-18374	mol	NC1CC(N)CCCCC1
-18375	mol	Nc1cc(N)cc(N)c1
-18376	mol	NC1CCOC1
-18377	mol	NC1C=COC1
-18378	mol	Nc1ccoc1Br
-18379	mol	Nc1ccoc1Cl
-18380	mol	Nc1c(C=O)cccc1C=O
-18381	mol	Nc1cc(O)c(C)cc1O
-18382	mol	Nc1cc(O)c(C=C)cc1C
-18383	mol	Nc1cc(O)c(C=C)cc1F
-18384	mol	Nc1cc(O)c(C)c(C=C)c1O
-18385	mol	Nc1cc(O)c(C=C)c(F)c1O
-18386	mol	Nc1cc(O)c(C=C)c(N)c1O
-18387	mol	Nc1cc(O)c(C=C)c(O)c1F
-18388	mol	NC1(Cl)C=COC1
-18389	mol	NC1(Cl)COC=C1C
-18390	mol	NC1CNCCC1Br
-18391	mol	NC1CNCCC1C#C
-18392	mol	Nc1cnccc1N
-18393	mol	Nc1cocc1
-18394	mol	NC1=COCC1
-18395	mol	Nc1cocc1N(=O)=O
-18396	mol	NC1(C)OC=CC1O
-18397	mol	Nc1coc(C=C=C)c1C=C
-18398	mol	NC1NCCCC1C(O)=O
-18399	mol	Nc1occ(Br)c1N
-18400	mol	Nc1oc(c(Br)c1N)N(=O)=O
-18401	mol	Nc1occ(Br)c1O
-18402	mol	Nc1oc(c(Br)c1O)N(=O)=O
-18403	mol	Nc1occc1
-18404	mol	Nc1occc1Br
-18405	mol	Nc1occc1C=C
-18406	mol	Nc1oc(cc1)C#CC=C
-18407	mol	NC1OCC(C1C(C)(C)C)C#C
-18408	mol	Nc1occc1Cl
-18409	mol	Nc1oc(cc1)N(=O)=O
-18410	mol	Nc1oc(C=C=C)cc1Br
-18411	mol	Nc1occ(C#N)c1C=C=C
-18412	mol	Nc1oc(c(N)c1Br)N(=O)=O
-18413	mol	Nc1oc(c(O)c1Br)N(=O)=O
-18414	mol	NC1([SiH3])CC=CO1
-18415	mol	Nc2c1ccccc1oc2
-18416	mol	Nc2c1ccoc1ccc2
-18417	mol	Nc2c1occc1ccc2
-18418	mol	Nc2cc1ccoc1cc2
-18419	mol	Nc2cc1ccoc1cc2N
-18420	mol	Nc2cc(C1CC=CO1)ncc2
-18421	mol	Nc2ccc1ccoc1c2[SiH3]
-18422	mol	Nc2ccc1occc1c2Cl
-18423	mol	NC2CCCCC2C1CCCCC1
-18424	mol	NC2CC(CCC2)C1CCCCC1
-18425	mol	Nc2cc(ccc2)c1cocc1
-18426	mol	NC2CCC(CC2)C(CC1)CCC1N
-18427	mol	NC2CC(CCCCC2)c1ccccc1
-18428	mol	N(c2ccccn2)c1cocc1
-18429	mol	NC2CC(CNC2)C1CC=CO1
-18430	mol	Nc2cccnc2c1cocc1
-18431	mol	Nc2ccncc2C1CC=CO1
-18432	mol	NC2(CCNCC2)c1cocc1
-18433	mol	Nc2oc1ccccc1c2
-18434	mol	NCBr
-18435	mol	NC(Br)(Br)C=C
-18436	mol	NCC
-18437	mol	N(CC1)CCC1C2CCCCN2
-18438	mol	N(CC1)CCC1N2CCCCC2
-18439	mol	NCc1ccccc1
-18440	mol	N#Cc1ccccc1
-18441	mol	NCC1CCCCC1
-18442	mol	N#CC1CCCCC1
-18443	mol	N#Cc1ccccc1C=C
-18444	mol	N#Cc1cc(ccc1)C=C=C
-18445	mol	N#Cc1ccccc1C=C=C
-18446	mol	N#CC1CCC(CC1)C=C=C
-18447	mol	NC(C1CCCCC1)C(=O)N
-18448	mol	NC(C1CCCCC1)C(O)=O
-18449	mol	NC(c1ccccc1)NC(=O)N
-18450	mol	NC(c1ccccc1)N(N)C(=O)N
-18451	mol	N#Cc1ccc(cc1)N(=O)=O
-18452	mol	N#Cc1ccccc1N(=O)=O
-18453	mol	N#Cc1ccccc1ON(=O)=O
-18454	mol	N#Cc1cccc(c2)c1oc2Cl
-18455	mol	N#Cc1ccc(C#C)cc1
-18456	mol	N#Cc1cc(C#C)ccc1
-18457	mol	NCC1CCCCCCC1
-18458	mol	NC(C1CCCCCCC1)C(O)=O
-18459	mol	NC(C1CCCCCCC1)(C(O)=O)C(O)=O
-18460	mol	N#Cc1ccccn1
-18461	mol	N#CC1CCCCN1
-18462	mol	N#CC1CCCCN1C=O
-18463	mol	N#CC1CCCNC1
-18464	mol	N#CC1CCCO1
-18465	mol	N#CC1=CCCO1
-18466	mol	N#CC1CC=CO1
-18467	mol	N#Cc1cc(co1)C=C=C
-18468	mol	N#CC1(CC=CO1)C=C=C
-18469	mol	N#CC1CC(CO1)C=C=C
-18470	mol	N#CC1(CC=CO1)C#N
-18471	mol	N#CC1(CC=CO1)C=O
-18472	mol	N#Cc1cc(co1)N(=O)=O
-18473	mol	N#CC1(CC=CO1)N(=O)=O
-18474	mol	N#CC1(CCCO1)N(=O)=O
-18475	mol	N#Cc1ccncc1
-18476	mol	N#CC1CCNCC1
-18477	mol	N#CC1(CCNCC1)C#C
-18478	mol	N#Cc1ccncc1C=C=C
-18479	mol	N#CC1(CCNCC1)C=C=C
-18480	mol	N#CC1(CCNCC1)C=O
-18481	mol	N#CC1CCOC1
-18482	mol	N#CC1C=COC1
-18483	mol	N#Cc1cc(oc1)C=C=C
-18484	mol	N#CC1(C=COC1)N(=O)=O
-18485	mol	N#CC1(C#N)CC(=CO1)C=C=C
-18486	mol	N#CC1(C#N)CC(=CO1)C=O
-18487	mol	N#Cc1coc2c1cccc2
-18488	mol	N#Cc1cocc1
-18489	mol	N#CC1=COCC1
-18490	mol	N#Cc1cocc1C=C=C
-18491	mol	N#Cc1occc1
-18492	mol	N#CC1OC(=CC1)C=C
-18493	mol	N#CC1OC(=CC1)C=C=C
-18494	mol	N#CC1OC(C)=CC1
-18495	mol	N#CC1OC(C=C=C)=C(C1)C#N
-18496	mol	N#CC1OC(Cl)=CC1
-18497	mol	N#Cc2c1ccoc1c(Br)cc2
-18498	mol	N#Cc2c1ccoc1ccc2
-18499	mol	N#Cc2c1occc1ccc2
-18500	mol	N#Cc2cc1occc1cc2
-18501	mol	N#Cc2ccc1ccoc1c2Br
-18502	mol	N#Cc2ccc1ccoc1c2F
-18503	mol	n(cc2)ccc2c1ccccc1
-18504	mol	N(CC2)CCC2c1ccccc1
-18505	mol	N(CC2)CCC2C1CCCCC1
-18506	mol	N(CC2)CCC2C1CC=CO1
-18507	mol	n(cc2)ccc2c1cocc1
-18508	mol	N(CC2)CCC2c1cocc1
-18509	mol	N(CC2)CCC2c1occc1
-18510	mol	N(CC2)CCC2CC1CCOC1
-18511	mol	N(CC2)CCC2[SiH2]c1cocc1
-18512	mol	NC(C2CCCCC2)C1CCCCC1
-18513	mol	NC(C2CCCCCCC2)C1CCCCC1
-18514	mol	N#Cc2occc2C1C=COC1
-18515	mol	NCC(Br)CC
-18516	mol	NCCC
-18517	mol	N#CC=C
-18518	mol	N#CC#C
-18519	mol	NC(C)C
-18520	mol	NCCc1ccccc1
-18521	mol	NC=Cc1ccccc1
-18522	mol	NC(C)c1ccccc1
-18523	mol	NCCC1CCCCC1
-18524	mol	NC=CC1CCCCC1
-18525	mol	NC(C)C1CCCCC1
-18526	mol	N#CC(c1ccccc1)=C
-18527	mol	NC(C)C1CCCCCCC1
-18528	mol	NC(C)(C1CCCCCCC1)C(=O)N
-18529	mol	NC(C)(C1CCCCCCC1)C(O)=O
-18530	mol	N#CC(C1CCCO1)=C
-18531	mol	N#CC(C1CC=CO1)=C=C
-18532	mol	N#CC(C1CC=CO1)=C=CC=C
-18533	mol	N#CC(C1CCNCC1)=C=C
-18534	mol	N#CC(C1CCNCC1)=O
-18535	mol	N#CC(C1CCOC1)=C
-18536	mol	N#CC(C1C=COC1)=C=C
-18537	mol	N#CC(c1cocc1)=C
-18538	mol	Nc(cc1F)cc(O)c1C=C
-18539	mol	Nc(cc1F)cc(O)c1F
-18540	mol	Nc(cc1O)cc(c1O)C(=O)N
-18541	mol	Nc(cc1O)cc(C=C)c1O
-18542	mol	Nc(cc1O)cc(N)c1O
-18543	mol	Nc(cc1O)cc(O)c1O
-18544	mol	NCCCC
-18545	mol	N#CC=C=C
-18546	mol	NC(C)(C)C
-18547	mol	NC(C)C=C
-18548	mol	NC#CC=C
-18549	mol	NCC(C)C
-18550	mol	N#Cc(cc1cc2)oc1cc2
-18551	mol	Nc(ccc1C)cc1C
-18552	mol	Nc(ccc1C)cc1C=C
-18553	mol	Nc(ccc1C)cc1N
-18554	mol	N#Cc(cc1ccc2)oc1c2Cl
-18555	mol	Nc(ccc1C=C)cc1C=C
-18556	mol	Nc(ccc1C=C)cc1C#C
-18557	mol	Nc(ccc1C=C)cc1C=O
-18558	mol	Nc(ccc1C=C)cc1F
-18559	mol	Nc(ccc1C=C)cc1O
-18560	mol	NC(C)Cc1ccccc1
-18561	mol	NCC(C)c1ccccc1
-18562	mol	NC=C=CC1CCCCC1
-18563	mol	NCC(C)C1CCCCC1
-18564	mol	N#CC(=Cc1ccccc1)C=O
-18565	mol	NC=C=C(c1ccccc1)N
-18566	mol	NC=C=CC1CCCO1
-18567	mol	N#CC=C(C1CCCO1)C=C
-18568	mol	N#CC#CC1CCNCC1
-18569	mol	NC=C=CC1C=COC1
-18570	mol	N#CC=Cc1cocc1
-18571	mol	NCC#Cc1cocc1
-18572	mol	Nc(ccc1C=O)cc1C=C
-18573	mol	Nc(ccc1C=O)cc1C=O
-18574	mol	Nc(ccc1F)cc1F
-18575	mol	Nc(ccc1N)cc1C
-18576	mol	Nc(ccc1N)cc1C=C
-18577	mol	Nc(ccc1N)cc1F
-18578	mol	Nc(ccc1N)cc1N
-18579	mol	NC(CCC1N)CC1NC=O
-18580	mol	Nc(ccc1O)cc1C=C
-18581	mol	Nc(ccc1O)cc1F
-18582	mol	Nc(ccc1O)cc1O
-18583	mol	N#CC(=Cc1occc1)C=O
-18584	mol	NC(C)C(C)Br
-18585	mol	NCCCC(Br)(CO)C(O)=O
-18586	mol	NCCCCC
-18587	mol	N#CC=CC=C
-18588	mol	N#CC#CC=C
-18589	mol	N#CC#CC#C
-18590	mol	N#CCC=C=C
-18591	mol	NC=C=CC=C
-18592	mol	NC(C)C(C)C
-18593	mol	NCC(C)CC
-18594	mol	NCC(C)(C)C
-18595	mol	NCCC(C)C
-18596	mol	N#Cc(ccc1Br)cc1Br
-18597	mol	N#Cc(ccc1Br)cc1C=C=C
-18598	mol	N#Cc(ccc1Br)cc1C#N
-18599	mol	N#Cc(ccc1Br)cc1F
-18600	mol	N#Cc(ccc1Br)cc1N(=O)=O
-18601	mol	NCC(C)Cc1ccccc1
-18602	mol	NCCC(C)c1ccccc1
-18603	mol	NCCCCC1CCCCC1
-18604	mol	NC(C)(C)CC1CCCCC1
-18605	mol	NCC(C)CC1CCCCC1
-18606	mol	NC(CCCC1CCCCC1)C=O
-18607	mol	NC(C)C(Cc1ccccc1)C(=O)N
-18608	mol	NC(C)C(CC1CCCCC1)C(=O)N
-18609	mol	NCC(C)(Cc1ccccc1)C(O)=O
-18610	mol	NCC(C)CC1CCCCCCC1
-18611	mol	NCCC(C)(C1CCCCCCC1)C(O)=O
-18612	mol	N#CC=C=Cc1ccccn1
-18613	mol	NC=CC#Cc1ccccn1
-18614	mol	N#CCCCC1CCCCN1
-18615	mol	N#CC=C=CC1CC=CO1
-18616	mol	NC=CC#CC1CCCO1
-18617	mol	NC(C)(C)CC1CCCO1
-18618	mol	N#CC#CC(C1CC=CO1)=C
-18619	mol	N#CC=C=Cc1ccncc1
-18620	mol	N#CCCCC1CCNCC1
-18621	mol	N#CC=C=CC1CCOC1
-18622	mol	N#CCCCc1cocc1
-18623	mol	N#CC=C=Cc1cocc1
-18624	mol	N#CC=C=CC1=COCC1
-18625	mol	N#CC(CCC1F)CN1N(=O)=O
-18626	mol	N#Cc(ccc1N(=O)=O)cc1Br
-18627	mol	NCCCCCC
-18628	mol	N#CC=C=CC=C
-18629	mol	N#CC=C=CC#C
-18630	mol	N#CC=CC=C=C
-18631	mol	N#CC(=C=C)C=C
-18632	mol	N#CC(C#C)=C=C
-18633	mol	N#CC#CC=C=C
-18634	mol	NC(C)(C)CC=C
-18635	mol	NC(C)CC(C)C
-18636	mol	NCC(C)(C)CC
-18637	mol	NCC(C)(C)C=C
-18638	mol	NCC(CC)CC
-18639	mol	NCCCC(C)C
-18640	mol	N#CC(=C)C#Cc1ccccc1
-18641	mol	NC(C)(C=C)Cc1ccccc1
-18642	mol	NC(CCC=C)c1ccccc1
-18643	mol	N#CC#CC=Cc1cccnc1
-18644	mol	NCC(C)C(C)C1CCCO1
-18645	mol	N#CC#CC=Cc1ccncc1
-18646	mol	NCCCC#Cc1cocc1
-18647	mol	NC(CCCCC1N)CC1C(O)=O
-18648	mol	NC(CCCCC1N)CC1N
-18649	mol	N#CC(C=C=C)c1occc1
-18650	mol	NCCCCCCC
-18651	mol	N#CC=C=CC=C=C
-18652	mol	N#CC=C(C#C)C#C
-18653	mol	N#CC=CC#CC=C
-18654	mol	N#CC#CC#CC=C
-18655	mol	N#CCCCC=C=C
-18656	mol	NC(C)CCC(C)C
-18657	mol	NCC(C)CC(C)C
-18658	mol	NCCCCC(C)C
-18659	mol	N#CC(C=C)=C=Cc1cocc1
-18660	mol	NCCCCCCCC
-18661	mol	NC(C)(C)C#CC=C=C
-18662	mol	NC(C)CCC(C)(C)C
-18663	mol	NCC(C)(C)CC(C)C
-18664	mol	NCC(C)CCC(C)C
-18665	mol	NCC(CC)CC(C)C
-18666	mol	NCCC(CC)CCC
-18667	mol	NCCC(CC)C(C)C
-18668	mol	NCCCC(C)CCC
-18669	mol	NCCCCCCCc1ccccc1
-18670	mol	NCCCCCCCC1CCCCC1
-18671	mol	NC(C)CCCCCC1CCCCC1
-18672	mol	NCC(C)C(C(C)C)C1CCCCC1
-18673	mol	NCCCCCCCCC
-18674	mol	N#CC=C=C(C=C)C=C=C
-18675	mol	NCCC(C)C(C)CCC
-18676	mol	NCCC(CCC)CCC
-18677	mol	NCCC(CCC)C(C)C
-18678	mol	NCCCC(C)CCCC
-18679	mol	NCCCCC(C)CCC
-18680	mol	NCCCCCCC(C)c1ccccc1
-18681	mol	NCCCCCCCCC1CCCCC1
-18682	mol	NC(C)CCCCCCC1CCCCC1
-18683	mol	NCCCC(CCCC)C1CCCCC1
-18684	mol	NCCCCCCCCCC
-18685	mol	NCCC(C)CC(C)CCC
-18686	mol	NCCCC(CC)CCCC
-18687	mol	NCCCC(CCCC)C#C
-18688	mol	NCCCCC(CC)CCC
-18689	mol	NCCCCCCC(C)CC
-18690	mol	NC(C)CCCCCCC(C)C
-18691	mol	NCCC(CC)C(CC)CCC
-18692	mol	NCCCC(CCC)CCCC
-18693	mol	NCCCCC(CCC)CCC
-18694	mol	NCCCCCC(C)CCCC
-18695	mol	NCCCCCC(C)CC(C)C
-18696	mol	NCCCCCCCCCCCC
-18697	mol	NCC(C)C(C(C)C)C(CC)CC
-18698	mol	NCCCC(CCCC)CC(C)C
-18699	mol	NCCCCC(CCC)CCCC
-18700	mol	NCCCCCCCCCCCCC
-18701	mol	NCCC(CCC(C)CC)C(C)CC
-18702	mol	NCCCCC(CCC)CCCCC
-18703	mol	NCCCCC(CCC)C(C)CCC
-18704	mol	NCCCCCCCCC(CC)CC
-18705	mol	NCCCCCCCCCCCCCC
-18706	mol	NCCC(CC)(CC(C)C)C(CC)CC
-18707	mol	NCCCCC(CCC)C(CC)CCC
-18708	mol	NCCCC(CCC)C(CCC)CCCC
-18709	mol	NCCCC(C(CC)CCC)C=O
-18710	mol	NCCCC(C(CC)CCC)(C=O)C(O)=O
-18711	mol	NC(C)CCCC(C(C)CC)=O
-18712	mol	NC(C)CC(C)CC(C)C=O
-18713	mol	NC(C)CCCCC(C)C(O)=O
-18714	mol	NCCCCCC(C)C=O
-18715	mol	NCC(CCC(C)C)COC=O
-18716	mol	NC(C)CCCCCC(O)=O
-18717	mol	NCC(CC(C)C)CC(O)=O
-18718	mol	NCCCCC(CC)C(O)=O
-18719	mol	NCCCCC(C)C(N)c1ccccc1
-18720	mol	NCCCCC(CC(N)C(O)=O)NC=O
-18721	mol	NCCCCCCC(O)C
-18722	mol	N#CC(C=C)=C=C(C=O)C=C
-18723	mol	NCC(CC(C)C)COC=O
-18724	mol	NC(C)CCCC(N)C
-18725	mol	NCCCCCC(N)CC
-18726	mol	NCCCCCCNC=O
-18727	mol	NC(C)(CC=C)CN(=O)=O
-18728	mol	N#CC=CC#CC=O
-18729	mol	NC(C)(C)C(C)C=O
-18730	mol	NC(C)(C)C(C)C(=O)C=O
-18731	mol	NC(C)(C)CCC(O)=O
-18732	mol	NCCC(C)(C)C(O)=O
-18733	mol	NC=C=CC(=C(F)C=O)N(=O)=O
-18734	mol	NCC(C)(C)CN
-18735	mol	NCCCCC(N)C
-18736	mol	N#CC=C=CC=O
-18737	mol	N#CC(=C=C)C=O
-18738	mol	N#CCCCC=O
-18739	mol	NCC(C)C(C)=O
-18740	mol	NCCCCC=O
-18741	mol	NC(C)C(C(C=O)c1ccccc1)C(=O)N
-18742	mol	N#CCCC(C=O)c1cocc1
-18743	mol	N#CC=C=C(C=O)C=C
-18744	mol	NCC(CC)C(=O)C=C
-18745	mol	NCCCCC(=O)C=C
-18746	mol	NCCCCCOC(O)=O
-18747	mol	NC(C)CCC(=O)N
-18748	mol	NC(C)CCC(=O)NCC
-18749	mol	NC(C)CCC(=O)NC=O
-18750	mol	NC(C)(C)CC(O)=O
-18751	mol	NC(C)CCC(O)=O
-18752	mol	NCC(C)(C)C(O)=O
-18753	mol	NCC(C)CC(O)=O
-18754	mol	NCC(C)(CC(O)=O)c1ccccc1
-18755	mol	NC(C(C)(C)C(O)=O)C=O
-18756	mol	NC(C(C)(C)C(O)=O)C(O)=O
-18757	mol	NCCC=C(F)C=C
-18758	mol	NCCC=C(F)O
-18759	mol	NCCCC(F)(O)O
-18760	mol	NCC#CCl
-18761	mol	NCCC(Cl)CC
-18762	mol	NCC(C)(Cl)CC=C
-18763	mol	NCC(C(Cl)(Cl)CBr)C#N
-18764	mol	NCC(C(Cl)(Cl)CC=C=C)C#N
-18765	mol	NCCCCN
-18766	mol	N#CC=C=CN
-18767	mol	NCC(C)CN
-18768	mol	NCCCC#N
-18769	mol	NC(C)CC(N)C
-18770	mol	NCC(C)C(N)C1CCCCCCC1
-18771	mol	N#CC=C(C#N)C=C
-18772	mol	NC=C=C(C#N)C=C
-18773	mol	N#CC=C=C(N)C=C=C
-18774	mol	NCCCCN(C)CC
-18775	mol	NCCCCN(CC)CC
-18776	mol	NCCCCN(C)CCCC
-18777	mol	NCCCCN(CC)CCC
-18778	mol	NCCCCN(CC)CCCC
-18779	mol	NCCCCN(C(C)CC)C=O
-18780	mol	NCCCCN(CCC)C(O)=O
-18781	mol	NC(C)C(C)N(C(C)C)N
-18782	mol	NCCCCN(CC)N
-18783	mol	NCC(CC)NC=O
-18784	mol	NCCCCNC=O
-18785	mol	NCC(C(C)NC=O)NC=O
-18786	mol	NC(C)(C)C(N)C(O)=O
-18787	mol	NC(C)CC(N)C(O)=O
-18788	mol	NCC(C)CNC(O)=O
-18789	mol	NCC(C)CNN
-18790	mol	NCC(C)C(N)N
-18791	mol	NC(C)(C)C(N)NC=O
-18792	mol	NCC(C)CNNC=O
-18793	mol	NCC(C)C(NN)C(O)=O
-18794	mol	NCCCCN(O)CC
-18795	mol	NCCCCN(O)CCC
-18796	mol	NCCCCN(O)CCCC
-18797	mol	NC(C)(C)C(N)OC=O
-18798	mol	N#CC=C=CN(=O)=O
-18799	mol	NC(C)(C)CN(=O)=O
-18800	mol	N#CC(=C)C=O
-18801	mol	N#CC#CC=O
-18802	mol	NC(C)CC=O
-18803	mol	NC(C)(C)C(O)c1ccccc1
-18804	mol	NCCC(C)Oc1ccccc1
-18805	mol	NC(C)CCOC1CCCCC1
-18806	mol	NC(C)(C)C(O)C1CCCCC1
-18807	mol	NC(C)C(C)OC1CCCCC1
-18808	mol	NCC(CC)OC1CCCCC1
-18809	mol	NCCC(C)OC1CCCCC1
-18810	mol	NCC(C)(C=O)C=C
-18811	mol	N#CC=CC(=O)C=C=C
-18812	mol	NCCC(C)OC(C)CC
-18813	mol	NCCCC(O)CCCC
-18814	mol	NCCCC(O)(C=C)C=C
-18815	mol	NCCCCOC(C)CC
-18816	mol	NC(C)CCOC(C)(CC)C=O
-18817	mol	NC(C)CCOC(=CC)C=O
-18818	mol	NC(C)(C)COC=O
-18819	mol	NC(C)CCOC=O
-18820	mol	NCC(C)(C)OC=O
-18821	mol	NCC(C)COC=O
-18822	mol	N#CCCC(OC=O)C=C=C
-18823	mol	NCC(C(C)OC=O)C(=O)N
-18824	mol	NC(C)(C)C(OC=O)C(O)=O
-18825	mol	NCC(C)C(O)C(O)=O
-18826	mol	NC(C)CC(=O)N
-18827	mol	NCC(C)C(=O)N
-18828	mol	NCCC(C)ON
-18829	mol	NC(C)(C)C(O)=O
-18830	mol	NC(C)CC(O)=O
-18831	mol	NCCCC(O)=O
-18832	mol	NCC(CC(O)=O)Cc1ccccc1
-18833	mol	NCC(C)C([SiH3])C#N
-18834	mol	NCCC(F)O
-18835	mol	NCCCN
-18836	mol	NCCCNCCCC
-18837	mol	NCCCN(CC)C(C)C
-18838	mol	NCC(C)N(C(C)CC)N
-18839	mol	N#CC(C#N)=C=C(C=O)C=C
-18840	mol	NCC(CN)CC(O)=O
-18841	mol	NCC(CN)CN
-18842	mol	NCC(CN)C(N)C1CCCCCCC1
-18843	mol	NCC(CN)C(N)C(O)=O
-18844	mol	NCC(C)NC=O
-18845	mol	NCC(CN)COC=O
-18846	mol	NC(C)C(N)(C(O)=O)C(=O)N
-18847	mol	NCC(C)NN
-18848	mol	NCC(C(N)(N)C)C=C
-18849	mol	NCC(C)N(N)NC(C)C
-18850	mol	NC(C)C=O
-18851	mol	N#Cc(co2)cc2C1CCCO1
-18852	mol	NCCC(O)C
-18853	mol	NCC(C)OC1CCCCC1
-18854	mol	NCCC(O)CCC
-18855	mol	NCC(C=O)C(C)(CC)c1ccccc1
-18856	mol	N#CC(C=O)C#CC=O
-18857	mol	NC(CC=O)CC=O
-18858	mol	NC(CC=O)CC(=O)N
-18859	mol	NC(CC=O)CC(O)=O
-18860	mol	NCCC(O)=C(F)C=C
-18861	mol	NCC(C)OC=O
-18862	mol	NCC(COC=O)CC(O)=O
-18863	mol	NCCCOC(=O)C(O)=O
-18864	mol	NCC(C)OC(=O)N
-18865	mol	NC(CC=O)C(O)=O
-18866	mol	NCC(C)OC(O)=O
-18867	mol	NC(C(C=O)C(O)=O)C(O)=O
-18868	mol	NCCC(OC(O)=O)=O
-18869	mol	NC(C)(C=O)NC=O
-18870	mol	NCCC(O)(NN)N(C=O)C(=O)N
-18871	mol	NC(C)C(O)=O
-18872	mol	NCCC(O)=O
-18873	mol	NC(CC(O)=O)c1ccccc1
-18874	mol	NCC(C(O)=O)c1ccccc1
-18875	mol	NC(CC(O)=O)C(O)=O
-18876	mol	NCC(F)(O)N
-18877	mol	NCCl
-18878	mol	NC(Cl)Br
-18879	mol	NCCN
-18880	mol	N#CC#N
-18881	mol	NCC(N)C
-18882	mol	NCC(N)C1CCCCCCC1
-18883	mol	N#CC(N)=C=C
-18884	mol	NCC(N)CC
-18885	mol	NCC(N)(C)C
-18886	mol	NCC(N)(C)C=C
-18887	mol	NCC(N)C(C)C
-18888	mol	NCCN(C)CC
-18889	mol	NCCN(CC)c1ccccc1
-18890	mol	NC(C#N)C#Cc1cocc1
-18891	mol	NCCNCCCC
-18892	mol	NCCN(C)CCC
-18893	mol	NCCN(CC)CC
-18894	mol	NCC(N)CCCCCNC=O
-18895	mol	NCC(N)(C)CN
-18896	mol	NCCN(CC)N
-18897	mol	NCC(N)CC(O)C
-18898	mol	NC(C)N(C)N
-18899	mol	NCC(N)CN
-18900	mol	NCC(N)(C)NC=O
-18901	mol	NC(C)NC=O
-18902	mol	NCCNC=O
-18903	mol	NC(C#N)(C=O)C=O
-18904	mol	NCC(N)C(O)=O
-18905	mol	NCC(N)(N)C
-18906	mol	NCCNNCC
-18907	mol	NCC(N)NC(C)CC
-18908	mol	NCC(N)(N)C(N)(N)N
-18909	mol	NCCN(O)c1ccccc1
-18910	mol	NCCN(O)C=C
-18911	mol	N#CCN(=O)=O
-18912	mol	NCCN(=O)=O
-18913	mol	N#CC=O
-18914	mol	NCC=O
-18915	mol	NC(CO1)CC1(CC)C=C
-18916	mol	NCC(O)C
-18917	mol	N#Cc(oc1ccc2)cc1c2F
-18918	mol	NCC(O)C1CCCCC1
-18919	mol	NCC(OC1CCCCC1)=O
-18920	mol	N#CC(OC1CC=CO1)=O
-18921	mol	N#CC(Oc1ccncc1)=O
-18922	mol	NCC(O)C1CCOC1
-18923	mol	N#CC(Oc1cocc1)=O
-18924	mol	N#CC(OC2c1cocc1)=CC2
-18925	mol	N#Cc(oc2)cc2C1CCCO1
-18926	mol	N#CC(=O)C=C
-18927	mol	NCC(O)CC
-18928	mol	NC(C=O)C=C=C
-18929	mol	NCC(O)(C)C=C
-18930	mol	NCC(O)(C=C)C=C
-18931	mol	NCC(O)CC(C)C
-18932	mol	NC(C(O)(C)C=C)C=C
-18933	mol	NCC(OCC(C)C=O)CC=O
-18934	mol	NC(C=O)C(C(O)=O)C(=O)N
-18935	mol	NC(C)OC=O
-18936	mol	NCCOC=O
-18937	mol	NCC(OC=O)C(C)C=O
-18938	mol	NC(C)(OC=O)CC=O
-18939	mol	NC(C)(OC=O)C(O)=O
-18940	mol	NCC(O)C(OC(O)=O)=O
-18941	mol	N#CC(=O)N
-18942	mol	NCC(=O)N
-18943	mol	NC(C=O)NC=O
-18944	mol	NCC(O)NC=O
-18945	mol	NC(C=O)N(N)C(O)=O
-18946	mol	NCC(O)=O
-18947	mol	NC(C(O)=O)c1ccccc1
-18948	mol	NC(C(O)=O)CNC=O
-18949	mol	NC(C(O)=O)C(N)C(=O)N
-18950	mol	NC(C(O)=O)C(N)(C(O)=O)C(=O)N
-18951	mol	NC(C(O)=O)C(N)(N)C(=O)N
-18952	mol	NC(C(O)=O)C(O)=O
-18953	mol	NC(C(O)=O)OC(=O)N
-18954	mol	NCN
-18955	mol	N#CN
-18956	mol	NC(N)C
-18957	mol	NC(N)c1ccccc1
-18958	mol	NC(N)C1CCCCC1
-18959	mol	NC(N)(C1CCCCC1)C=O
-18960	mol	NC(N)(C1CCCCC1)C(O)=O
-18961	mol	NC(N)(C1CCCCC1)OC=O
-18962	mol	NC(N)C1CCCCCCC1
-18963	mol	NC(N)(C1CCCCCCC1)NC(=O)N
-18964	mol	N#CN(C1CC=CO1)C#C
-18965	mol	NC(N)(C)C
-18966	mol	NC(N)=Cc1ccccc1
-18967	mol	NC(N)(C)C1CCCCC1
-18968	mol	NCNC(c1ccccc1)=O
-18969	mol	N#CNC=C=C
-18970	mol	NC(N)C(C)C
-18971	mol	NC(N)CC(C)C
-18972	mol	NCN(CC)CC
-18973	mol	NC(N)C(C)CC1CCCCCCC1
-18974	mol	NC(N)(C)C(C)C=C
-18975	mol	NC(N)CCCC(CC)C(O)=O
-18976	mol	NC(N)C(C)C=O
-18977	mol	NC(N)(C(C)C=O)C#N
-18978	mol	NC(N)(C)C(N)(C(O)=O)C(=O)N
-18979	mol	NC(N)(C)C(N)(N)C(O)=O
-18980	mol	NC(N)C(C=O)C(O)=O
-18981	mol	NC(N)CC(O)=O
-18982	mol	NC(N)C(N)C
-18983	mol	NC(N)(C)NC=O
-18984	mol	NC(N)(C(N)C=O)C(N)(N)C=O
-18985	mol	NC(N)C(N)(N)C
-18986	mol	NC(N)C(N)(N)C(N)C=O
-18987	mol	NC(N)C=O
-18988	mol	NCNC=O
-18989	mol	NC(N)(COC=O)C(N)(C(O)=O)C(=O)N
-18990	mol	NC(N)(COC=O)C(N)(N)c1ccccc1
-18991	mol	NC(N)(COC=O)C(N)(N)C(=O)N
-18992	mol	NC(N)C(=O)N
-18993	mol	NCNC(=O)N
-18994	mol	NC(N)C(O)=O
-18995	mol	NC(N)(C(O)=O)C(O)=O
-18996	mol	NC(N)N
-18997	mol	NC(N)(N)C
-18998	mol	NC(N)(N)C1CCCCCCC1
-18999	mol	NC(N)(N)C(C)c1ccccc1
-19000	mol	NC(N)(N)C(C)(C=O)c1ccccc1
-19001	mol	NC(N)(N)C(CC=O)(C=O)c1ccccc1
-19002	mol	NC(N)(N)C(N)(C)C(O)=O
-19003	mol	NC(N)(N)C(N)(N)C
-19004	mol	NC(N)(N)C(N)(N)C(N)C=O
-19005	mol	NC(N)(N)C(N)(N)COC=O
-19006	mol	NC(N)(N)C=O
-19007	mol	NC(N)NC(=O)N
-19008	mol	NC(N)(N)C(O)=O
-19009	mol	NC(N)(N)N
-19010	mol	NC(N)(N)OC=O
-19011	mol	NC(N)OC=O
-19012	mol	N#CN(=O)=O
-19013	mol	N#COc1ccccc1N(=O)=O
-19014	mol	N#COC1CC=CO1
-19015	mol	N#COc2c1ccccc1oc2
-19016	mol	N#COC(Br)=O
-19017	mol	N#COC(C1C=COC1)=O
-19018	mol	N#COC=C=C
-19019	mol	N#COC(CCC1CCOC1)=O
-19020	mol	N#COC#CC(O)=O
-19021	mol	N#COC=O
-19022	mol	N#COC(=O)C(C1CCOC1)=C
-19023	mol	NC(OC=O)(CC=O)CC(=O)N
-19024	mol	NC(OC=O)C(N)C(O)=O
-19025	mol	NC(OC=O)(C(O)=O)C(N)(C(O)=O)C(=O)N
-19026	mol	N#C[SiH2]c1ccccc1
-19027	mol	N#C[SiH2]C1CCCCC1
-19028	mol	N#C[SiH2]c1ccccc1O
-19029	mol	N#C[SiH2]C1CC=CO1
-19030	mol	N#C[SiH2]C=C
-19031	mol	N#C[SiH2]C#C
-19032	mol	N#C[SiH2]C=C=C
-19033	mol	N#C[SiH2]c(cc1)ccc1O
-19034	mol	N#C[SiH2]C=C=Cc1occc1
-19035	mol	N#C[SiH2]C#N
-19036	mol	N#C[SiH2]C=O
-19037	mol	NC([SiH3])C(C)C=C
-19038	mol	NC([SiH3])C(C=C)C=C
-19039	mol	N#C[SiH](C1CCCCC1)C#N
-19040	mol	N#C[SiH](C1CCCCC1)N(=O)=O
-19041	mol	N#C[SiH](C1CC=CO1)C=C=C
-19042	mol	N#C[SiH](C1CC=CO1)C=O
-19043	mol	N#C[SiH](C=C)c1ccccc1
-19044	mol	N#C[SiH](C=O)C=C=C
-19045	mol	N#C[SiH](C=O)c(cc1)ccc1O
-19046	mol	N#C[SiH](C=O)C=O
-19047	mol	NN
-19048	mol	NNc1ccccc1
-19049	mol	NNC1CCCCC1
-19050	mol	NN(C1CCCCC1)C(=O)N
-19051	mol	NN(C1CCCCC1)N
-19052	mol	NNC1CCCCCCC1
-19053	mol	NNC1=CCCO1
-19054	mol	NN(c2cocc2)c1cocc1
-19055	mol	NNCc1ccccc1
-19056	mol	NNC(c1ccccc1)N(N)C(=O)N
-19057	mol	NNC(c1ccccc1)N(N)C(O)=O
-19058	mol	NNC(c1ccccc1)=O
-19059	mol	NNC(C1CCCCC1)=O
-19060	mol	NNCCCCC1CCCCC1
-19061	mol	NNC(=O)N
-19062	mol	NNC(=O)N(N)N
-19063	mol	NNN
-19064	mol	NN(N)C(=O)N(N)N
-19065	mol	NN(N)N
-19066	mol	NNN(N)C(=O)N
-19067	mol	NNOC(=O)N
-19068	mol	NNONC1CCCCC1
-19069	mol	NOBr
-19070	mol	NOC
-19071	mol	NOc1ccccc1
-19072	mol	NOC1CCCCC1
-19073	mol	NOc1ccccc1C
-19074	mol	NOC1CCCCC1C=C
-19075	mol	NOC1CC(CCC1)C(C)CC
-19076	mol	NOC1CCCCC1C=O
-19077	mol	NOC1CCCCC1N
-19078	mol	NOC1CCCCC1O
-19079	mol	NOC1CCCCC1OC=O
-19080	mol	NOC1CCCCCCC1
-19081	mol	NOC1CCC(O)CC1C
-19082	mol	NOc1ccncc1
-19083	mol	NOCC
-19084	mol	NOC=C
-19085	mol	NOC(C1CCCCC1)=O
-19086	mol	NOCCC
-19087	mol	NOC(C)C
-19088	mol	NOC(CC1)CCC1N
-19089	mol	NOC(CC1C)CC(C1N)C=O
-19090	mol	NOC(CC1N)CC(C)C1N
-19091	mol	NOCCCC
-19092	mol	NOC(C)CC
-19093	mol	NOCC(C)C
-19094	mol	NOC(CCC1)CC1N
-19095	mol	NOC(CCC1)CC1O
-19096	mol	NOC(CCC1N)CC1C
-19097	mol	NOC(CCC1N)CC1C(O)=O
-19098	mol	NOC(CC)CC
-19099	mol	NOC(C)CCc1ccccc1
-19100	mol	NOCC(CC)c1ccccc1
-19101	mol	NOC(C)C(C)C1CCCCC1
-19102	mol	NOCCCCCC
-19103	mol	NOC(C)C(C)C=C
-19104	mol	NOC(C)C(C)C(C)C
-19105	mol	NOC(C)C(C)C(C)CC
-19106	mol	NOC(C)CCC=O
-19107	mol	NOC(C)CC=O
-19108	mol	NOCC(C)C=O
-19109	mol	NOC(C(C)C=O)=O
-19110	mol	NOC(C)CC(O)=O
-19111	mol	NOC(CCC(O)=O)=O
-19112	mol	NOCCC(N)C
-19113	mol	NOC(CC)=O
-19114	mol	NOC(CN)=O
-19115	mol	NOCCO
-19116	mol	NOCC(=O)N
-19117	mol	NOC(F)=O
-19118	mol	NOC(N)(C)CC=O
-19119	mol	NOC=O
-19120	mol	NOC(=O)c1ccccc1
-19121	mol	NOC(=O)c1ccccc1CC
-19122	mol	NOC(OC1CCCCC1)=O
-19123	mol	NOC(=O)c1ccncc1
-19124	mol	NOC(=O)C=O
-19125	mol	NOC(=O)C(OC)=O
-19126	mol	NOC(=O)C(OC(=O)N)=O
-19127	mol	NOC(=O)C(OC=O)=O
-19128	mol	NOC(=O)C(ON)=O
-19129	mol	NOC(=O)C(O)=O
-19130	mol	NOC(OC=O)=O
-19131	mol	NOC(OC(O)=O)=O
-19132	mol	NOC(=O)N
-19133	mol	NOC(=O)N(CC)C=O
-19134	mol	NOC(=O)NN
-19135	mol	NOC(ON)=O
-19136	mol	NOC(=O)N(=O)=O
-19137	mol	NOC(O)=O
-19138	mol	NOC(=O)ONC=O
-19139	mol	NON
-19140	mol	NONBr
-19141	mol	NONc1ccccc1F
-19142	mol	NONCCCCC
-19143	mol	NONC=O
-19144	mol	NONC(O)=O
-19145	mol	NONN
-19146	mol	NONOC=O
-19147	mol	NOOC(=O)OC(=O)NC=O
-19148	mol	N[Si](C)(c1cocc1)N(=O)=O
-19149	mol	N[SiH2]C1CC(CCC1)C=O
-19150	mol	N[SiH2]C1CCCCC1C=O
-19151	mol	N[SiH2]C1CC=CO1
-19152	mol	N[SiH2]C(C1CCCO1)=C(F)C=O
-19153	mol	N[SiH2]C=C=C
-19154	mol	N[SiH2]C#N
-19155	mol	N[SiH2][SiH3]
-19156	mol	N[SiH](C1CCCNC1)C=C=C
-19157	mol	N[SiH](C=C)C=C=C
-19158	mol	N[SiH](C)C#N
-19159	mol	N[SiH](C(O)=O)C=C=C
-19160	mol	O
-19161	mol	O1CCCC1
-19162	mol	O1C=CCC1c2ccccc2
-19163	mol	O1C=CCC1c2ccccn2
-19164	mol	O1C=CCC1c2cccnc2
-19165	mol	O1C=CCC1C2CC=CO2
-19166	mol	O1C=CCC1c2ccncc2
-19167	mol	O1C=CCC1c2cocc2
-19168	mol	O1C=CCC1c2occc2
-19169	mol	O1C=CCC1Cc2cocc2
-19170	mol	O1C=CCC1Cc2occc2
-19171	mol	O1C=CCC1C#CC2CC=CO2
-19172	mol	O1C=CCC1C#Cc2cocc2
-19173	mol	O1C=CCC1C=Cc2occc2
-19174	mol	O1C=CCC1[SiH2]c2ccccc2
-19175	mol	O1C=CCC1[SiH2]c2cocc2
-19176	mol	O2C=CCC2c1cocc1
-19177	mol	O2C=CCC2c1occc1
-19178	mol	O2C=CCC2C=Cc1cocc1
-19179	mol	O2C=CCC2C#Cc1cocc1
-19180	mol	O2C=CCC2C=Cc1occc1
-19181	mol	O2C=CCC2Oc1cocc1
-19182	mol	O2C=CCC2Oc1occc1
-19183	mol	O2C=CCC2[SiH2]c1cocc1
-19184	mol	OBr
-19185	mol	O=C
-19186	mol	OC1(Br)OCCC1N(=O)=O
-19187	mol	Oc1cc(Br)ccc1
-19188	mol	Oc1cc(Br)oc1
-19189	mol	OC1CCC(Br)CC1
-19190	mol	Oc1ccc(Br)c(C=C)c1C
-19191	mol	Oc1cc(cc(Br)c1)N(=O)=O
-19192	mol	Oc1ccccc1
-19193	mol	OC1CCCCC1
-19194	mol	Oc1ccccc1Br
-19195	mol	Oc1ccccc1C
-19196	mol	OC1CCCCC1C
-19197	mol	OC1CCCCC1C2CCCCCCC2
-19198	mol	Oc1cc(ccc1)C(Br)=C=C
-19199	mol	Oc1ccccc1C(Br)=C=C
-19200	mol	Oc1ccccc1C=C
-19201	mol	Oc1ccccc1C#C
-19202	mol	OC1CC(CCC1)C#C
-19203	mol	OC1CCC(CC1)C=C
-19204	mol	OC1CCCCC1C=C
-19205	mol	OC1CCCCC1C#C
-19206	mol	Oc1cc(ccc1)C=C=C
-19207	mol	Oc1ccc(cc1)C=C=C
-19208	mol	Oc1ccccc1C=C=C
-19209	mol	OC1CCCC(C1C)C#C
-19210	mol	Oc1ccccc1C=C=CBr
-19211	mol	Oc1cc(ccc1)C=CC=C
-19212	mol	Oc1cc(ccc1)C=CC#C
-19213	mol	Oc1cc(ccc1)C(=C)C#C
-19214	mol	Oc1cc(ccc1)C#CC#C
-19215	mol	Oc1ccc(cc1)C=CC=C
-19216	mol	Oc1ccc(cc1)C#CC#C
-19217	mol	Oc1ccccc1C=CC=C
-19218	mol	Oc1ccccc1C=CC#C
-19219	mol	Oc1ccccc1C(=C)C#C
-19220	mol	Oc1ccccc1C#CC=C
-19221	mol	Oc1ccccc1C#CC#C
-19222	mol	OC1C(CCCC1C=C)C=C
-19223	mol	OC1CCCCC1C(=C)C=C
-19224	mol	OC1CCCCC1C(C)(C)C
-19225	mol	Oc1cc(ccc1)C=C=CC=C
-19226	mol	Oc1cc(ccc1)C=CC=C=C
-19227	mol	Oc1cc(ccc1)C(=C=C)C=C
-19228	mol	Oc1cc(ccc1)C(=C)C=C=C
-19229	mol	Oc1cc(ccc1)C(C)=CC=C
-19230	mol	Oc1cc(ccc1)C#CC#CC
-19231	mol	Oc1ccc(cc1)C=CC=C=C
-19232	mol	Oc1ccc(cc1)C(=CC)C=C
-19233	mol	Oc1ccccc1C=C=CC=C
-19234	mol	Oc1ccccc1C=C(C)C=C
-19235	mol	Oc1ccccc1C=CC=C=C
-19236	mol	Oc1ccccc1C(=C=C)C=C
-19237	mol	Oc1ccccc1C(=C)C=C=C
-19238	mol	Oc1ccccc1C(=CC)C=C
-19239	mol	Oc1ccccc1C(C)=CC=C
-19240	mol	Oc1ccccc1C(C)=CC#C
-19241	mol	Oc1ccccc1CC#CC#C
-19242	mol	OC1C(CCC(C1C)C=C)C=C
-19243	mol	OC1CC(CC(C1C)C=C)C=C
-19244	mol	OC1CCCCC1C=C(C)C#C
-19245	mol	Oc1ccccc1C=C=CCl
-19246	mol	OC1CCCCC1C(C=C)=CN
-19247	mol	Oc1cc(ccc1)C#CC#CO
-19248	mol	OC1CCCCC1C(C(C)C)=O
-19249	mol	Oc1ccccc1C(=CCl)C#N
-19250	mol	Oc1ccccc1C=C=CN
-19251	mol	Oc1cc(ccc1)C=CC=O
-19252	mol	Oc1cc(ccc1)C#CC=O
-19253	mol	Oc1ccc(cc1)C#CC=O
-19254	mol	Oc1ccccc1C#CC=O
-19255	mol	OC1C(CCCC1C#C)C=O
-19256	mol	Oc1cc(ccc1)C=CC(O)=C
-19257	mol	Oc1c(cccc1C=C)C(=O)N
-19258	mol	Oc1cc(ccc1C=C)C(=O)N
-19259	mol	Oc1ccc(cc1C=C)C(=O)N
-19260	mol	Oc1cccc(c1C=C)C(=O)N
-19261	mol	Oc1ccccc1C=C=C(O)N
-19262	mol	Oc1cc(ccc1)C#CC(O)=O
-19263	mol	Oc1ccccc1C=CC(O)=O
-19264	mol	Oc1ccccc1C#CC(O)=O
-19265	mol	Oc1c(cccc1C=C)NC=O
-19266	mol	Oc1cc(ccc1C=C)NC=O
-19267	mol	Oc1ccc(cc1C=C)NC=O
-19268	mol	Oc1cc(ccc1)C=CN(=O)=O
-19269	mol	Oc1ccccc1C=CN(=O)=O
-19270	mol	Oc1ccccc1C(=C)N(=O)=O
-19271	mol	OC1CCCC(C1C=C)N(=O)=O
-19272	mol	Oc1ccccc1Cl
-19273	mol	Oc1ccccc1C#N
-19274	mol	Oc1ccc(cc1C)NC=O
-19275	mol	Oc1ccccc1C=O
-19276	mol	OC1CC(CCC1)C=O
-19277	mol	OC1CCC(CC1)C=O
-19278	mol	OC1CCCCC1C=O
-19279	mol	Oc1cc(ccc1)C(=O)C#C
-19280	mol	Oc1ccccc1C(=O)C#C
-19281	mol	OC1C(CCCC1C=O)C=C
-19282	mol	Oc1cc(ccc1)C(=O)C=C=C
-19283	mol	Oc1ccc(cc1)C(=O)C=O
-19284	mol	OC1CCCC(C1C)OC=O
-19285	mol	Oc1c(cccc1C=O)C(=O)C=O
-19286	mol	Oc1cc(ccc1)C(=O)C(O)=O
-19287	mol	Oc1ccc(cc1)C(=O)C(O)=O
-19288	mol	Oc1ccccc1C(=O)C(O)=O
-19289	mol	OC1C(CCCC1C=O)C(O)=O
-19290	mol	OC1CC(CCC1)C(OC=O)=O
-19291	mol	OC1CCC(CC1C=O)C(O)=O
-19292	mol	OC1CCCC(C1C=O)C(O)=O
-19293	mol	Oc1cc(ccc1)C(=O)N
-19294	mol	Oc1ccc(cc1)C(=O)N
-19295	mol	Oc1ccccc1C(=O)N
-19296	mol	OC1CC(CCC1)C(=O)N
-19297	mol	Oc1ccccc1C(=O)NC=C
-19298	mol	Oc1ccc(cc1C=O)NC=O
-19299	mol	OC1CCCC(C1C)ONC=O
-19300	mol	Oc1ccccc1C(=O)NN
-19301	mol	OC1CC(CCC1)C(O)=O
-19302	mol	OC1CCC(CC1)C(O)=O
-19303	mol	OC1CCCCC1C(O)=O
-19304	mol	OC1CCC(CC1C(O)=O)C(O)=O
-19305	mol	Oc1ccccc1N
-19306	mol	OC1CCCCC1N
-19307	mol	Oc1ccccc1NC=O
-19308	mol	OC1CC(CCC1)NC=O
-19309	mol	OC1CCC(CC1)NC=O
-19310	mol	OC1CCCCC1NC=O
-19311	mol	Oc1ccccc1NC(O)=O
-19312	mol	Oc1ccc(cc1)NNC=O
-19313	mol	OC1CCCCC1NNC=O
-19314	mol	Oc1cc(ccc1)N(=O)=O
-19315	mol	Oc1ccc(cc1)N(=O)=O
-19316	mol	Oc1ccccc1N(=O)=O
-19317	mol	OC1CC(CCC1)N(=O)=O
-19318	mol	Oc1ccccc1O
-19319	mol	OC1CCCCC1O
-19320	mol	OC1CC=C(C)C1=O
-19321	mol	OC1CC(C)=CC1=O
-19322	mol	OC1CCCC(C1O)C=C
-19323	mol	OC1CCCCC1OC=C
-19324	mol	Oc1ccc(cc1O)C=C=C
-19325	mol	OC1C(CCC(C1O)C=C)C=C
-19326	mol	OC1CC(CCC1)OC=O
-19327	mol	OC1CCC(CC1)OC=O
-19328	mol	OC1CCCC(C1O)C=O
-19329	mol	OC1CCCCC1OC=O
-19330	mol	Oc1ccccc1OC(=O)C=C
-19331	mol	Oc1ccccc1OC(=O)C#C
-19332	mol	OC1CCCC(C1OC=O)C=C
-19333	mol	Oc1cc(ccc1)OC(=O)C=O
-19334	mol	Oc1ccccc1OC(=O)C=O
-19335	mol	Oc1cccc(c1O)C(=O)N
-19336	mol	OC1CC(CCC1)OC(O)=O
-19337	mol	OC1CCC(CC1O)C(O)=O
-19338	mol	OC1CCCCC1ONC=O
-19339	mol	Oc1ccccc1[SiH3]
-19340	mol	Oc1ccc(C)cc1
-19341	mol	Oc1cc(C)ccc1
-19342	mol	OC1CC(C)CCC1
-19343	mol	OC1CCC(C)CC1
-19344	mol	Oc1cccc(C)c1C
-19345	mol	OC1CCCC(C)C1C
-19346	mol	Oc1cccc(C)c1C=C
-19347	mol	Oc1cccc(C)c1C#C
-19348	mol	OC1CCCC(C)C1C=C
-19349	mol	Oc1cccc(C)c1C#CC#C
-19350	mol	Oc1cccc(C)c1C=O
-19351	mol	OC1CC(CC(C)C1)C=O
-19352	mol	Oc1cccc(C)c1O
-19353	mol	OC1CCCC(C)C1O
-19354	mol	Oc1ccc(C=C)cc1
-19355	mol	Oc1ccc(C#C)cc1
-19356	mol	Oc1cc(C)cc(C)c1
-19357	mol	Oc1cc(C=C)ccc1
-19358	mol	Oc1cc(C#C)ccc1
-19359	mol	OC1CCCCCCC1
-19360	mol	Oc1cccc(C=C)c1C
-19361	mol	Oc1ccc(C=C)cc1C
-19362	mol	Oc1cccc(C=C)c1C=C
-19363	mol	Oc1cccc(C=C)c1C#C
-19364	mol	Oc1cccc(C#C)c1C#C
-19365	mol	Oc1ccc(C=C)cc1C=C
-19366	mol	Oc1cc(C=C)ccc1C=C
-19367	mol	Oc1c(C=C)cccc1C=C
-19368	mol	OC1CCCC(CCC1C)C(O)=O
-19369	mol	Oc1cccc(C#C)c1Cl
-19370	mol	Oc1cccc(C=C)c1C=O
-19371	mol	Oc1cccc(C#C)c1C=O
-19372	mol	Oc1c(C=C)cccc1C=O
-19373	mol	OC1CCCC(CCC1C)OC=O
-19374	mol	OC1CCC(CCCC1)C(=O)C(O)=O
-19375	mol	OC1CCC(CCCC1)C(OC=O)=O
-19376	mol	Oc1cc(cc(C=C)c1)C(=O)N
-19377	mol	Oc1cccc(C=C)c1C(=O)N
-19378	mol	Oc1ccc(C=C)cc1C(=O)N
-19379	mol	Oc1cccc(C=C)c1F
-19380	mol	Oc1ccc(C=C)cc1F
-19381	mol	Oc1cccc(C=C)c1N
-19382	mol	Oc1ccc(C=C)cc1N
-19383	mol	OC1CCCCCCC1N
-19384	mol	OC1CC(CCCCC1)NC=O
-19385	mol	Oc1cccc(C=C)c1O
-19386	mol	Oc1ccc(C)c(C)c1O
-19387	mol	Oc1cc(C)c(C)cc1O
-19388	mol	Oc1ccc(C)c(C=C)c1C=C
-19389	mol	Oc1ccc(C)c(C#C)c1C#C
-19390	mol	Oc1ccc(C=C)c(C)c1C=C
-19391	mol	Oc1ccc(C#C)c(C)c1C#C
-19392	mol	Oc1cc(C)c(C=C)cc1C=C
-19393	mol	Oc1cc(C=C)cc(C)c1C=C
-19394	mol	Oc1cc(C=C)c(C)cc1C=C
-19395	mol	Oc1ccc(C=C)c(C)c1F
-19396	mol	Oc1ccc(C)c(C=C)c1O
-19397	mol	Oc1cc(C=C)cc(C)c1O
-19398	mol	Oc1ccc(C=C)c(C=C)c1C
-19399	mol	Oc1cc(C=C)cc(C=C)c1C
-19400	mol	Oc1cc(C=C)c(C=C)cc1C
-19401	mol	Oc1ccc(C=C)c(C=C)c1N
-19402	mol	Oc1cc(C=C)c(C=C)cc1N
-19403	mol	Oc1ccc(C=C)c(C=C)c1O
-19404	mol	Oc1cc(C)c(C=C)c(C)c1O
-19405	mol	Oc1cc(C=C)cc(C=C)c1O
-19406	mol	Oc1cc(C=C)c(C=C)cc1O
-19407	mol	Oc1ccc(C=C)c(C=O)c1O
-19408	mol	Oc1cc(C)c(C=C)c(O)c1O
-19409	mol	Oc1ccc(C=C)c(F)c1C
-19410	mol	Oc1ccc(C=C)c(F)c1F
-19411	mol	Oc1ccc(C=C)c(F)c1O
-19412	mol	Oc1ccc(C=C)c(N)c1C=C
-19413	mol	Oc1ccc(C=C)c(N)c1N
-19414	mol	Oc1ccc(C=C)c(N)c1O
-19415	mol	Oc1cc(C=C)cc(O)c1
-19416	mol	Oc1ccc(C)c(C=O)c1C
-19417	mol	Oc1cc(C=C)cc(O)c1C
-19418	mol	Oc1ccc(C=C)c(O)c1C=C
-19419	mol	Oc1ccc(C=C)c(O)c1C=O
-19420	mol	Oc1ccc(C=C)c(O)c1F
-19421	mol	Oc1cc(C=C)cc(O)c1F
-19422	mol	Oc1ccc(C=C)c(O)c1O
-19423	mol	Oc1cc(C=C)cc(O)c1O
-19424	mol	Oc1cc(C=C)c(F)c(F)c1F
-19425	mol	Oc1cc(C=C)c(F)c(F)c1O
-19426	mol	Oc1cc(C=C)c(F)c(O)c1O
-19427	mol	Oc1cccc(Cl)c1F
-19428	mol	Oc1cccc(Cl)c1O
-19429	mol	Oc1cc(C=C)c(N)cc1C=C
-19430	mol	Oc1cc(C=C)co1
-19431	mol	Oc1cc(C#C)co1
-19432	mol	OC1(C=C)CC(=CO1)C=C
-19433	mol	Oc1cc(C)cc(O)c1
-19434	mol	Oc1cccc(C=O)c1Br
-19435	mol	Oc1cccc(C=O)c1C
-19436	mol	OC1CCC(C)C(O)C1C
-19437	mol	Oc1cccc(C=O)c1C=C
-19438	mol	Oc1c(C=C=C)coc1C=C
-19439	mol	Oc1cccc(C=O)c1C=O
-19440	mol	Oc1cccc(C=O)c1O
-19441	mol	Oc1ccc(C)c(O)c1O
-19442	mol	Oc1cc(C)c(C=O)cc1C
-19443	mol	Oc1cc(C=C)c(O)cc1C=C
-19444	mol	Oc1cc(C)c(C=O)cc1C=O
-19445	mol	Oc1cc(C=C)c(O)c(C)c1N
-19446	mol	Oc1cc(C=C)c(O)c(F)c1O
-19447	mol	Oc1cc(C)c(C=O)c(O)c1C
-19448	mol	Oc1cc(C=C)c(O)c(O)c1N
-19449	mol	Oc1cc(C=C)c(O)c(O)c1O
-19450	mol	Oc1ccccn1
-19451	mol	Oc1cccc(N)c1C
-19452	mol	OC1CCCC(N)C1C
-19453	mol	Oc1cccc(N)c1C=C
-19454	mol	OC1CCCC(N)C1C#N
-19455	mol	Oc1cccc(N)c1N
-19456	mol	OC1CC(CC(N)C1N)C=C
-19457	mol	Oc1cccc(N)c1O
-19458	mol	Oc1ccc(C#N)cc1
-19459	mol	OC1(C)CCCO1
-19460	mol	OC1(C)CC=CO1
-19461	mol	OC1CC(C)=CO1
-19462	mol	Oc1cc(C=C)oc1
-19463	mol	Oc1cccc(O)c1C
-19464	mol	Oc1cccc(O)c1C=C
-19465	mol	Oc1cc(C=C)oc1C=CC=C
-19466	mol	Oc1cccc(O)c1Cl
-19467	mol	Oc1c(C=C)coc1C=O
-19468	mol	Oc1cc(cc(O)c1)C(=O)N
-19469	mol	Oc1cccc(O)c1N
-19470	mol	Oc1cccc(O)c1NC=O
-19471	mol	Oc1cccc(O)c1O
-19472	mol	OC1CCCC(O)C1O
-19473	mol	OC1CCC(C(O)C1O)C=C
-19474	mol	Oc1ccc(C=O)cc1
-19475	mol	Oc1ccc(C=O)cc1C
-19476	mol	Oc1cc(C)c(O)cc1C
-19477	mol	Oc1ccc(C=O)cc1C=C
-19478	mol	Oc1c(C=C=C)occ1C=C=C
-19479	mol	Oc1ccc(C=O)cc1C=O
-19480	mol	Oc1ccc(C=O)cc1O
-19481	mol	Oc1ccc(C=O)c(C)c1O
-19482	mol	Oc1ccc(C=O)c(C=C)c1O
-19483	mol	Oc1cc(C)c(O)c(C=O)c1O
-19484	mol	Oc1ccc(C=O)c(O)c1O
-19485	mol	OC1CCC(F)C(C1O)C=C
-19486	mol	Oc1ccc(F)c(C)c1F
-19487	mol	Oc1ccc(F)c(C=C)c1O
-19488	mol	Oc1ccc(F)c(C=O)c1F
-19489	mol	Oc1ccc(F)c(C=O)c1O
-19490	mol	Oc1cc(Cl)ccc1
-19491	mol	OC1CCCNC1
-19492	mol	Oc1cc(cnc1)C=C=C
-19493	mol	Oc1ccc(N)cc1
-19494	mol	OC1CCC(N)CC1
-19495	mol	Oc1cc(C#N)ccc1
-19496	mol	Oc1ccc(N)c(C=C)c1O
-19497	mol	Oc1ccc(N)c(N)c1N
-19498	mol	Oc1cc(C#N)co1
-19499	mol	Oc1ccc(N)c(O)c1O
-19500	mol	OC1CCCO1
-19501	mol	OC1=CCCO1
-19502	mol	OC1CC=CO1
-19503	mol	OC1CC(=CO1)c2ccoc2O
-19504	mol	OC1(CC=CO1)C=C
-19505	mol	OC1(CC=CO1)C#C
-19506	mol	OC1(CCCO1)C=C
-19507	mol	OC1(CCCO1)C#C
-19508	mol	OC1CC(CO1)C#C
-19509	mol	OC1(CC=CO1)C=C=C
-19510	mol	OC1(CCCO1)C#CC#C
-19511	mol	OC1(CC=CO1)C=O
-19512	mol	OC1CC(CO1)C=O
-19513	mol	OC1(CCCO1)C(O)=O
-19514	mol	OC1(CCCO1)OC=O
-19515	mol	Oc1cc(C)oc1
-19516	mol	OC1CC(C)OC1
-19517	mol	Oc1ccc(O)cc1
-19518	mol	Oc1c(C=C)occ1C=O
-19519	mol	Oc1cc(C=O)ccc1
-19520	mol	Oc1cc(C=O)ccc1C=C
-19521	mol	Oc1cc(C=O)ccc1C#C
-19522	mol	Oc1ccc(O)c(C)c1F
-19523	mol	Oc1ccc(O)c(C)c1O
-19524	mol	Oc1cc(C=O)cc(C)c1
-19525	mol	Oc1ccc(O)c(C=C)c1C=C
-19526	mol	Oc1cc(C=O)c(C)cc1C=O
-19527	mol	Oc1ccc(O)c(C=C)c1N
-19528	mol	Oc1ccc(O)c(C=C)c1O
-19529	mol	Oc1cc(C=O)cc(C=C)c1O
-19530	mol	Oc1cc(C=O)c(C)c(O)c1O
-19531	mol	Oc1cc(C=O)cc(O)c1
-19532	mol	Oc1ccc(O)c(C=O)c1O
-19533	mol	Oc1cc(C=O)cc(O)c1O
-19534	mol	Oc1ccc(O)c(F)c1F
-19535	mol	Oc1ccc(O)c(N)c1O
-19536	mol	Oc1cc(C=O)co1
-19537	mol	Oc1ccc(O)c(O)c1F
-19538	mol	Oc1ccc(O)c(O)c1O
-19539	mol	Oc1cc(C=O)oc1
-19540	mol	Oc1cc(C=O)oc1C
-19541	mol	Oc1ccc([SiH3])cc1
-19542	mol	Oc1cc(F)c(C)cc1F
-19543	mol	Oc1cc(F)c(C)cc1O
-19544	mol	Oc1cc(F)c(C=C)cc1F
-19545	mol	Oc1cc(F)c(C=C)cc1O
-19546	mol	Oc1cc(F)c(C)c(C=C)c1O
-19547	mol	Oc1cc(F)c(C=C)c(F)c1F
-19548	mol	Oc1cc(F)c(C=C)c(O)c1F
-19549	mol	Oc1cc(F)c(C=C)c(O)c1O
-19550	mol	Oc1cc(F)c(C=O)cc1F
-19551	mol	Oc1cc(F)c(N)cc1F
-19552	mol	Oc1cc(F)c(N)c(C=C)c1F
-19553	mol	Oc1cc(F)c(N)c(O)c1F
-19554	mol	Oc1ccncc1
-19555	mol	OC1CCNCC1
-19556	mol	OC1CCNCC1C#C
-19557	mol	OC1(CCNCC1)C=C=C
-19558	mol	OC1CCNCC1Cl
-19559	mol	OC1CCNCC1N
-19560	mol	Oc1cc(N)ccc1
-19561	mol	OC1CC(N)CCC1
-19562	mol	Oc1cc(N)c(C=C)cc1C=C
-19563	mol	Oc1cc(N)c(C=C)cc1O
-19564	mol	Oc1cc(N)c(C)c(C=C)c1O
-19565	mol	Oc1cc(N)c(C=C)c(N)c1N
-19566	mol	OC1CC(N)C(N)C(C1O)C=C
-19567	mol	OC1CCOC1
-19568	mol	OC1C=COC1
-19569	mol	Oc1ccoc1C
-19570	mol	Oc1ccoc1C=C
-19571	mol	Oc1ccoc1C#C
-19572	mol	OC1(CCOC1)C#C
-19573	mol	OC1C=C(OC1)C=C
-19574	mol	OC1C=COC1C=C
-19575	mol	OC1C=COC1C#C
-19576	mol	OC1CCOC1C#C
-19577	mol	Oc1cc(oc1)C=C=C
-19578	mol	OC1C=COC1C#CC#C
-19579	mol	OC1CC(OC1)C(C)(C)C
-19580	mol	OC1CC(OC1)C#CC#C
-19581	mol	OC1CCOC1C(C)(C)C
-19582	mol	OC1(CC(OC1)C=C=C)C(O)=O
-19583	mol	OC1CCOC1C#CC=O
-19584	mol	OC1(CC(OC1)C=C)C(O)=O
-19585	mol	OC1CCOC1C#CO
-19586	mol	OC1C=COC1C#N
-19587	mol	Oc1ccoc1C=O
-19588	mol	OC1C=COC1C=O
-19589	mol	Oc1ccoc1C(=O)C=C
-19590	mol	OC1C=C(OC1(C=O)C=C)C=O
-19591	mol	OC1C=C(OC1C=O)C=O
-19592	mol	OC1CCOC1(C)OC=O
-19593	mol	OC1C=C(OC1)C(O)=O
-19594	mol	OC1C=COC1C(O)=O
-19595	mol	OC1CC(OC1)C(O)=O
-19596	mol	OC1CC(OC1C(O)=O)C(O)=O
-19597	mol	Oc1ccoc1O
-19598	mol	OC1CCOC1OC=O
-19599	mol	Oc1cc(O)ccc1
-19600	mol	OC1CC(O)CCC1
-19601	mol	Oc1cc(O)c(cc1N)NC=O
-19602	mol	Oc1c(C=O)cccc1C=O
-19603	mol	Oc1cc(O)c(C)cc1O
-19604	mol	Oc1cc(O)c(C=C)cc1C=C
-19605	mol	Oc1cc(O)c(C=C)cc1F
-19606	mol	Oc1cc(O)c(C=C)cc1N
-19607	mol	Oc1cc(O)c(C=C)cc1O
-19608	mol	Oc1cc(O)c(C=C)c(C)c1F
-19609	mol	Oc1cc(O)c(C=C)c(O)c1O
-19610	mol	Oc1cc(O)cc(O)c1
-19611	mol	OC1CC(O)CO1
-19612	mol	OC1CC(O)=CO1
-19613	mol	Oc1cc(O)c(O)c(C=C)c1F
-19614	mol	Oc1cc(O)c(O)c(C=C)c1O
-19615	mol	Oc1cc(O)c(O)c(F)c1F
-19616	mol	Oc1cc(ON(=O)=O)ccc1
-19617	mol	Oc1cc(O)oc1
-19618	mol	OC1C=C(O)OC1C(O)=O
-19619	mol	Oc1c(C=O)occ1C=O
-19620	mol	Oc1cc([SiH3])co1
-19621	mol	OC1CC([SiH3])=CO1
-19622	mol	Oc1c(F)c(C=C)ccc1C=O
-19623	mol	OC1(Cl)CC=CO1
-19624	mol	OC1(Cl)CCNCC1
-19625	mol	Oc1cnccc1C=C
-19626	mol	OC1CNCCC1Cl
-19627	mol	Oc1c(N)c(C=C)ccc1C=C
-19628	mol	Oc1cnc(C=C=C)c(Cl)c1[SiH3]
-19629	mol	Oc1cocc1
-19630	mol	OC1=COCC1
-19631	mol	Oc1cocc1C
-19632	mol	O(c1cocc1)c2occc2
-19633	mol	Oc1cocc1C=C
-19634	mol	Oc1cocc1C#C
-19635	mol	OC1=COCC1C=C
-19636	mol	OC1COCC1C=C
-19637	mol	Oc1cocc1C#CC=O
-19638	mol	Oc1cocc1C=O
-19639	mol	OC1=COCC1C=O
-19640	mol	OC1COC=C1C(O)=O
-19641	mol	OC1COCC1C(O)=O
-19642	mol	Oc1cocc1O
-19643	mol	OC1COCC1O
-19644	mol	OC1COC=C1O
-19645	mol	OC1(COC=C1O)C=O
-19646	mol	Oc1coc(C)c1C
-19647	mol	Oc1coc(C)c1C=C
-19648	mol	Oc1coc(C)c1O
-19649	mol	Oc1coc(C#C)c1C
-19650	mol	Oc1coc(C=C)c1O
-19651	mol	Oc1c(O)c(C=C)ccc1C=C
-19652	mol	Oc1c(O)c(C=C)ccc1C=O
-19653	mol	Oc1coc(C=O)c1C
-19654	mol	OC1(C=O)C=COC1C=C
-19655	mol	Oc1coc(C=O)c1O
-19656	mol	Oc1coc(O)c1C
-19657	mol	Oc1coc(O)c1C=C
-19658	mol	Oc1coc(O)c1C=O
-19659	mol	Oc1nc(Br)ccc1
-19660	mol	Oc1nc(ccc1)N(=O)=O
-19661	mol	Oc1ncccc1[SiH3]
-19662	mol	Oc1nccc(c1[SiH3])N(=O)=O
-19663	mol	Oc1nccc(F)c1Cl
-19664	mol	Oc1oc(Br)cc1
-19665	mol	OC1OC(Br)CC1
-19666	mol	Oc1occc1
-19667	mol	OC1OCCC1C
-19668	mol	OC1OC=CC1C
-19669	mol	Oc1occc1C=C
-19670	mol	Oc1occc1C#C
-19671	mol	OC1OC=CC1C=C
-19672	mol	OC1OC(CC1)C=C
-19673	mol	OC1OCCC1C#C
-19674	mol	Oc1occc1C=C=C
-19675	mol	OC1(OC=CC1C=C)C=C
-19676	mol	OC1(OCCC1C=C)C=C
-19677	mol	OC1OC(CC1)C#CC#C
-19678	mol	Oc1oc(cc1)C#CC#CO
-19679	mol	OC1OC(CC1)C#CC=O
-19680	mol	OC1OC(=CC1C)C(O)=O
-19681	mol	Oc1occc1C=O
-19682	mol	OC1OC(CC1)C=O
-19683	mol	OC1OCCC1C=O
-19684	mol	OC1OC(CC1)C(O)=O
-19685	mol	OC1OCCC1C(O)=O
-19686	mol	Oc1occc1N(=O)=O
-19687	mol	OC1OC(CC1)N(=O)=O
-19688	mol	OC1OC=CC1OC=O
-19689	mol	OC1OCCC1OC=O
-19690	mol	OC1OC=C(C1(O)C=O)C=O
-19691	mol	Oc1oc(C)cc1
-19692	mol	Oc1oc(C=C)cc1
-19693	mol	Oc1oc(C#C)cc1
-19694	mol	Oc1occ(C=C)c1C
-19695	mol	Oc1occ(C#C)c1C
-19696	mol	Oc1oc(C#C)cc1C#C
-19697	mol	Oc1oc(C=C)cc1C=O
-19698	mol	Oc1occ(C=C)c1O
-19699	mol	Oc1oc(C)c(C)c1O
-19700	mol	Oc1oc(C=C=C)cc1C=C=C
-19701	mol	Oc1occ(C=C=C)c1C#N
-19702	mol	Oc1oc(C)c(O)c1C
-19703	mol	Oc1occ(C=O)c1C=C
-19704	mol	OC1OC=C(O)C1(O)C=O
-19705	mol	Oc1oc(C=O)cc1
-19706	mol	Oc1oc(C=O)c(C)c1C=C
-19707	mol	Oc1oc(C=O)c(C)c1O
-19708	mol	OC1OC(O)CC1
-19709	mol	Oc1oc(O)c(C)c1C
-19710	mol	OC1(OC=O)CC=CO1
-19711	mol	OC1(OC=O)C=COC1
-19712	mol	OC1(O)OC(CC1)C(O)=O
-19713	mol	Oc2c1ccccc1oc2
-19714	mol	Oc2c1cc(C=C)oc1ccc2
-19715	mol	OC2(C1CC=CO1)CC=CO2
-19716	mol	Oc2c1occc1ccc2
-19717	mol	Oc2cc1ccoc1c(C=C)c2
-19718	mol	Oc2cc1occc1cc2Cl
-19719	mol	Oc2cc(C1CCCCC1)ccc2
-19720	mol	OC2CC(C1CCCCC1)CC(C2C(O)=O)C(O)=O
-19721	mol	Oc2cc(C1CCCCC1)co2
-19722	mol	Oc2cc(C1CCCCC1)oc2
-19723	mol	Oc2cc(C1=CCCO1)ccc2
-19724	mol	Oc2cc(C1CC=CO1)ccc2
-19725	mol	Oc2cc(C1CCCO1)ccc2
-19726	mol	Oc2cc(C1CC=CO1)co2
-19727	mol	Oc2cc(C1CCCO1)co2
-19728	mol	Oc2cc(C1CC=CO1)oc2
-19729	mol	Oc2cc(C1CCCO1)oc2
-19730	mol	Oc2cc(C1C=COC1)ccc2
-19731	mol	Oc2cc(C1CCOC1)ccc2
-19732	mol	Oc2cc(C1C=COC1)co2
-19733	mol	Oc2cc(C1CCOC1)co2
-19734	mol	Oc2cc(C1CCOC1)oc2
-19735	mol	Oc2cc(C1C=COC1)oc2O
-19736	mol	Oc2cc(C1=COCC1)ccc2
-19737	mol	Oc2cc(C1=COCC1)oc2
-19738	mol	Oc2cccc1c2occ1[SiH3]
-19739	mol	Oc2ccc(C1CCCCC1)cc2
-19740	mol	Oc2ccc(c1ccccc1)cc2C=O
-19741	mol	Oc2ccc(C1CC=CO1)cc2
-19742	mol	Oc2ccc(C1C=COC1)cc2
-19743	mol	Oc2ccc(C1CCOC1)cc2
-19744	mol	Oc2ccc(C1=COCC1)cc2
-19745	mol	Oc2cccc(C1CCCCC1)c2C
-19746	mol	Oc2cc(ccc2)c1ccccc1
-19747	mol	Oc2ccccc2C1CCCCC1
-19748	mol	OC2CCCCC2c1ccccc1
-19749	mol	OC2CCCCC2C1CCCCC1
-19750	mol	OC2CC(CCC2)C1CCCCC1
-19751	mol	Oc2cc(ccc2)c1ccccc1O
-19752	mol	Oc2ccccc2C1CCCO1
-19753	mol	Oc2ccccc2C1=CCCO1
-19754	mol	Oc2ccccc2C1CC=CO1
-19755	mol	OC2CC(CCC2)C1CC=CO1
-19756	mol	OC2CCC(CC2)C1CCCO1
-19757	mol	OC2CCCCC2C1CC=CO1
-19758	mol	Oc2ccccc2C1CCOC1
-19759	mol	OC2CC(CCC2)C1CCOC1
-19760	mol	Oc2ccccc2c1cocc1
-19761	mol	O(c2ccccc2)c1cocc1
-19762	mol	Oc2cc(ccc2)c1cocc1
-19763	mol	Oc2ccc(cc2)c1cocc1
-19764	mol	Oc2ccccc2C1=COCC1
-19765	mol	OC2CCCCC2c1cocc1
-19766	mol	OC2CCC(CC2)c1cocc1
-19767	mol	Oc2ccccc2c1occc1
-19768	mol	Oc2cc(ccc2)c1occc1
-19769	mol	Oc2ccc(cc2)c1occc1
-19770	mol	OC2CCCCC2c1occc1
-19771	mol	OC2CC(CCC2)c1occc1
-19772	mol	O(c2ccccc2)c3cc(ccc3)c1ccccc1
-19773	mol	Oc2cccc(c2C)c1ccccc1
-19774	mol	OC2CC(CCC2C(O)=O)C1CCCCC1
-19775	mol	OC2CC(CCC2OC=O)C1CCCCC1
-19776	mol	OC2CCC(CCCC2)C1CCCCC1O
-19777	mol	O(c2ccccn2)c1occc1
-19778	mol	Oc2ccc(C=O)cc2C1CCCCC1
-19779	mol	O(c2cccnc2)c1occc1
-19780	mol	Oc2cc(co2)c1ccccc1
-19781	mol	OC2(CCCO2)C1CCCCC1
-19782	mol	OC2(CCCO2)C1=CCCO1
-19783	mol	OC2(CCCO2)C1CC=CO1
-19784	mol	OC2(CC=CO2)C1C=COC1
-19785	mol	OC2CC(CO2)C1C=COC1
-19786	mol	Oc2cc(co2)c1cocc1
-19787	mol	OC2(CCCO2)c1cocc1
-19788	mol	OC2CC(=CO2)c1cocc1
-19789	mol	Oc2cc(co2)c1occc1
-19790	mol	OC2(CCCO2)c1occc1
-19791	mol	Oc2cc(OC1CCCO1)co2
-19792	mol	Oc2ccoc2c1ccccc1
-19793	mol	Oc2cc(oc2)c1ccccc1
-19794	mol	Oc2ccoc2C1CCCCC1
-19795	mol	OC2CC(OC2)c1ccccc1
-19796	mol	OC2CC(OC2)C1CCCCC1
-19797	mol	Oc2ccoc2C1CCCO1
-19798	mol	Oc2ccoc2C1=CCCO1
-19799	mol	Oc2ccoc2C1CC=CO1
-19800	mol	OC2C=COC2C1CCCO1
-19801	mol	OC2CC(OC2)C1CCCO1
-19802	mol	Oc2ccoc2C1CCOC1
-19803	mol	Oc2ccoc2C1C=COC1
-19804	mol	OC2CCOC2C1CCOC1
-19805	mol	OC2(CCOC2)C1C=COC1
-19806	mol	Oc2ccoc2c1cocc1
-19807	mol	Oc2cc(oc2)c1cocc1
-19808	mol	OC2CCOC2c1cocc1
-19809	mol	Oc2ccoc2c1occc1
-19810	mol	Oc2cc(oc2)c1occc1
-19811	mol	OC2C=C(O)OC2C1CCOC1
-19812	mol	Oc2cocc2c1ccccc1
-19813	mol	Oc2cocc2C1CCCCC1
-19814	mol	OC2=COCC2c1ccccc1
-19815	mol	OC2=COCC2C1CCCCC1
-19816	mol	Oc2cocc2C1CCCO1
-19817	mol	Oc2cocc2C1CC=CO1
-19818	mol	OC2COCC2C1=CCCO1
-19819	mol	Oc2cocc2C1C=COC1
-19820	mol	Oc2cocc2c1cocc1
-19821	mol	O(c2cocc2)c1cocc1
-19822	mol	OC2COCC2c1cocc1
-19823	mol	OC2=COCC2c1cocc1
-19824	mol	Oc2cocc2c1occc1
-19825	mol	O(c2cocc2)c1occc1
-19826	mol	OC2(C)OC=CC2C1=CCCO1
-19827	mol	OC2(C)OC=CC2C1CC=CO1
-19828	mol	OC2(C)OC=CC2C1C=COC1
-19829	mol	Oc2coc(C)c2c1occc1
-19830	mol	Oc2nc(C1CC=CO1)ccc2
-19831	mol	Oc2ncccc2C1CCCO1
-19832	mol	Oc2oc1ccccc1c2
-19833	mol	Oc2oc(C1CCCCC1)cc2
-19834	mol	Oc2oc(C1CC=CO1)cc2
-19835	mol	Oc2occc2c1ccccc1
-19836	mol	Oc2oc(cc2)c1ccccc1
-19837	mol	Oc2occc2C1CCCCC1
-19838	mol	OC2OCCC2C1CCCCC1
-19839	mol	OC2OC(CC2)C1CCCCC1
-19840	mol	Oc2occc2C1CC=CO1
-19841	mol	OC2OC=CC2C1CCCO1
-19842	mol	OC2OC=CC2C1=CCCO1
-19843	mol	OC2OC=CC2C1CC=CO1
-19844	mol	OC2OC(CC2)C1CCCO1
-19845	mol	OC2OCCC2C1CC=CO1
-19846	mol	Oc2occc2C1CCOC1
-19847	mol	OC2OCCC2C1CCOC1
-19848	mol	Oc2occc2c1cocc1
-19849	mol	Oc2occc2c1occc1
-19850	mol	Oc2oc(cc2)c1occc1
-19851	mol	OC2OCCC2c1occc1
-19852	mol	OC2OCC(O)C2C1=COCC1
-19853	mol	Oc3ccc(C2CCCCC2)cc3C1CCCCC1
-19854	mol	OCBr
-19855	mol	OC(Br)=C=C
-19856	mol	OC(Br)CC1CCCCC1
-19857	mol	OC(Br)=C=CC1CCCO1
-19858	mol	OC(Br)=C=C(N)N(=O)=O
-19859	mol	OC(Br)=C=C(N(=O)=O)N(=O)=O
-19860	mol	OC(Br)=O
-19861	mol	OCC
-19862	mol	OC=C
-19863	mol	OC#C
-19864	mol	OCC1=CC(CC1C)=O
-19865	mol	OCC1=CC(CC1)=O
-19866	mol	O=Cc1cccc2c1occ2Cl
-19867	mol	OCc1ccccc1
-19868	mol	O=Cc1ccccc1
-19869	mol	OCC1CCCCC1
-19870	mol	O=CC1CCCCC1
-19871	mol	OC(C1CCCCC1)=C
-19872	mol	O=Cc1ccc(cc1)c2ccccc2C=O
-19873	mol	O=Cc1ccccc1C=C
-19874	mol	O=CC1CC(CCC1)C=C
-19875	mol	O=CC1CCC(CC1)C=C
-19876	mol	O=CC1CCCCC1C=C
-19877	mol	OC(C1CCCCC1)C=C
-19878	mol	O=Cc1cc(ccc1)C=C=C
-19879	mol	O=Cc1ccc(cc1)C=C=C
-19880	mol	O=Cc1ccccc1C=C=C
-19881	mol	OC(c1ccccc1)=CC=C
-19882	mol	O=CC1CCCCC1C=C=C
-19883	mol	O=Cc1ccc(cc1)c(cc2)ccc2C=O
-19884	mol	O=Cc1ccc(cc1)C#CC=C
-19885	mol	O=Cc1ccccc1C#CC=C
-19886	mol	O=Cc1ccccc1C#CC#C
-19887	mol	OC(c1ccccc1)=C=CC=C
-19888	mol	O=CC1CC(CCC1C=C)C=C
-19889	mol	OC(C1CCCCC1)(C#C)C#C
-19890	mol	O=Cc1ccc(cc1)c(ccc2)cc2C=O
-19891	mol	O=CC1CCCC(C1C=C)C=O
-19892	mol	OC(C1CC(CCC1)C=C=C)=O
-19893	mol	OC(C1CCCCC1)CCC=O
-19894	mol	OC(c1ccccc1)=CC=O
-19895	mol	OC(C1CCCCC1)=CC=O
-19896	mol	OC(C1CCCCC1)CC=O
-19897	mol	OC(C1CCCCC1C=C)=O
-19898	mol	OC(C1CCCCC1)CC(=O)N
-19899	mol	OC(c1ccccc1)=CC(O)=O
-19900	mol	OC(C1CCC(CC1)C(C)=O)=O
-19901	mol	OC(C1CCCCC1)CC(O)=O
-19902	mol	O=Cc1ccccc1C=O
-19903	mol	O=CC1CC(CCC1)C=O
-19904	mol	O=CC1CCC(CC1)C=O
-19905	mol	O=CC1CCCCC1C=O
-19906	mol	OC(C1CCCCC1)C=O
-19907	mol	OC(c1ccccc1)=C(O)C=C
-19908	mol	O=CC1CCC(CC1C=O)C=C
-19909	mol	OC(C1CCCCC1)=C(O)C=C
-19910	mol	O=Cc1cc(ccc1)C(=O)C=O
-19911	mol	O=CC1CC(CCC1)C(=O)C=O
-19912	mol	O=CC1CCCC(C1C=O)C=O
-19913	mol	OC(C1CCCCC1)(C=O)C=O
-19914	mol	O=Cc1cc(ccc1)C(=O)C(O)=O
-19915	mol	O=C(c1ccccc1)C(=O)N
-19916	mol	O=Cc1ccc(cc1)C(=O)N
-19917	mol	O=C(C1CCCCC1)C(=O)N
-19918	mol	OCc1ccccc1C(O)=O
-19919	mol	OC(C1CCCCC1)C(O)=O
-19920	mol	OC(C1CCCCC1C=O)=O
-19921	mol	OC(C1CC(CCC1)C(O)=O)=O
-19922	mol	OC(C1CCC(CC1)C(O)=O)=O
-19923	mol	OC(C1CCCCC1C(O)=O)=O
-19924	mol	O=C(c1ccccc1)N
-19925	mol	O=C(C1CCCCC1)N
-19926	mol	O=C(c1ccccc1)NC2CCCCC2
-19927	mol	O=C(C1CCCCC1)NC2CCCCC2
-19928	mol	O=Cc1ccccc1NC=O
-19929	mol	O=CC1CC(CCC1)NC=O
-19930	mol	OC(C1CC(CCC1)N(N)C(O)=O)=O
-19931	mol	O=Cc1cc(ccc1)N(=O)=O
-19932	mol	OCc1ccccc1O
-19933	mol	OC(C1CCCCC1)=O
-19934	mol	O=C(C1CCCCC1)OC=C=C
-19935	mol	OC(C1CCCCC1)OC=O
-19936	mol	O=C(C1CCCCC1)OC(=O)N
-19937	mol	OC(C1CCCCC1OC=O)=O
-19938	mol	OCc1cc(C)ccc1C=O
-19939	mol	O=Cc1ccc(C=C)cc1
-19940	mol	O=Cc1cc(C=C)ccc1
-19941	mol	O=CC1CCCCCCC1
-19942	mol	O=C(C1CCCCCCC1)N
-19943	mol	OC(C1CC(CCCCC1)NC=O)=O
-19944	mol	OC(C1CCCCCCC1NC=O)=O
-19945	mol	OC(C1CCCCCCC1)=O
-19946	mol	O=Cc1cc(C=C)co1
-19947	mol	OC(C1CC(C)=C(C)O1)=O
-19948	mol	O=Cc1cccc(C=O)c1C=O
-19949	mol	O=CC1CCCCN1
-19950	mol	O=Cc1cc(C=C)oc1
-19951	mol	O=CC1(C=C)C=C(OC1)C(O)=O
-19952	mol	O=Cc1ccc(C=O)cc1
-19953	mol	O=Cc1cccnc1
-19954	mol	O=CC1CCCNC1
-19955	mol	OCC1CCCO1
-19956	mol	O=CC1CCCO1
-19957	mol	O=CC1=CCCO1
-19958	mol	O=CC1CC=CO1
-19959	mol	OC(C1CC=CO1)=C
-19960	mol	OC(C1CCCO1)=C
-19961	mol	O=C(C1CCCO1)C2CC=CO2
-19962	mol	O=C(C1CC=CO1)c2cocc2
-19963	mol	O=C(C1CCCO1)c2cocc2
-19964	mol	O=CC1(CC=CO1)C=C
-19965	mol	O=CC1(CCCO1)C=C
-19966	mol	OC(C1CC=CO1)=C=C
-19967	mol	OC(C1CC=CO1)C=C
-19968	mol	OC(C1CCCO1)C#C
-19969	mol	O=CC1(CC=CO1)C=C=C
-19970	mol	OC(C1CC=CO1)=CC=C
-19971	mol	OC(C1CCCO1)=CC=C
-19972	mol	OC(C1CCCO1)=CC#C
-19973	mol	O=CC1(CCCO1)C#CC#C
-19974	mol	O=CC1CC(CO1)C#CC#C
-19975	mol	OC(C1CCCO1)C=CC=C
-19976	mol	OC(C1CCCO1)(CC=C)C=C
-19977	mol	OC(C1CCCO1)CC(C)C=C
-19978	mol	O=CC1(CC=CO1)C(=C)C#N
-19979	mol	O=CC1(CCCO1)C#CC=O
-19980	mol	OC(C1(CC=CO1)C=C)=O
-19981	mol	O=CC1(CCCO1)C=O
-19982	mol	OC(C1CC=CO1)C=O
-19983	mol	OC(C1CC=CO1)=C(O)C=C
-19984	mol	OC(C1CCCO1)=COC=O
-19985	mol	OC(C1(CC=CO1)C=O)=O
-19986	mol	O=CC1(CC=CO1)N(=O)=O
-19987	mol	OC(C1CC=CO1)=O
-19988	mol	OC(C1CCCO1)=O
-19989	mol	O=C(C1CC=CO1)OC#CC#C
-19990	mol	O=Cc1cc(C=O)ccc1
-19991	mol	O=Cc1cc(C=O)oc1
-19992	mol	O=Cc1ccncc1
-19993	mol	O=CC1CCNCC1
-19994	mol	OC(c1ccncc1)=CC=C=C
-19995	mol	OC(C1CCNCC1C#C)=O
-19996	mol	OC(C1CCNCC1)=O
-19997	mol	O=C(C1CCNCC1)OC=C=C
-19998	mol	OCC1CCOC1
-19999	mol	O=CC1CCOC1
-20000	mol	O=CC1C=COC1
-20001	mol	OCC1C=COC1
-20002	mol	OC(C1CCOC1)=C
-20003	mol	O=C(C1CCOC1)C2CC=CO2
-20004	mol	O=C(C1C=COC1)c2occc2
-20005	mol	O=C(C1CCOC1)c2occc2
-20006	mol	O=Cc1ccoc1C=C
-20007	mol	O=CC1CC(OC1)C=C
-20008	mol	O=CC1CCOC1C=C
-20009	mol	OC(C1C=COC1)=C=C
-20010	mol	OC(C1C=COC1)C=C
-20011	mol	O=Cc1ccoc1C=C=C
-20012	mol	O=CC1C=COC1C=C=C
-20013	mol	O=CC1C=COC1(C=C)C=C
-20014	mol	OC(C1CCOC1)=C=CC#C
-20015	mol	OC(C1CCOC1)CC(C)C=C
-20016	mol	OC(C1C=COC1)=C(C=O)C=O
-20017	mol	OC(C1CCOC1)=C(C=O)C=O
-20018	mol	OC(C1CCOC1)C#COC=O
-20019	mol	OC(C1CCOC1)=CC(O)=O
-20020	mol	O=Cc1ccoc1C=O
-20021	mol	OC(C1C=COC1)=C(O)C=O
-20022	mol	OC(C1C=COC1)=C(O)C(O)=O
-20023	mol	OC(C1C=COC1C=O)=O
-20024	mol	OC(C1C=COC1)=O
-20025	mol	OC(C1CCOC1)=O
-20026	mol	O=C(C1C=COC1)OC#CC=C
-20027	mol	O=C(C1C=COC1)OC#CC#C
-20028	mol	O=C(C1C=COC1)OC(=C)C=O
-20029	mol	OC(C1(CCOC1)OC=O)=O
-20030	mol	OC(C1C=COC1OC=O)=O
-20031	mol	OC(C1C=C(O)OC1)=O
-20032	mol	O=Cc1coc2c1cccc2
-20033	mol	OCc1cocc1
-20034	mol	O=Cc1cocc1
-20035	mol	O=CC1=COCC1
-20036	mol	OCC1=COCC1
-20037	mol	OC(c1cocc1)c2occc2
-20038	mol	O=Cc1cocc1C=C
-20039	mol	O=Cc1cocc1C=O
-20040	mol	O=C(c1cocc1)N(=O)=O
-20041	mol	O=Cc1cocc1N(=O)=O
-20042	mol	OC(C1COCC1OC=O)=O
-20043	mol	O=Cc1coc(C=C)c1C=C=C
-20044	mol	O=Cc1coc(C=O)c1C=O
-20045	mol	OCc1occc1
-20046	mol	O=Cc1occc1
-20047	mol	O=Cc1occc1C=C
-20048	mol	O=CC1OC=CC1C=C
-20049	mol	O=CC1OC(CC1)C=C
-20050	mol	OC(c1occc1)=CC#C
-20051	mol	OC(C1(OCCC1C=C)C#C)=O
-20052	mol	OC(C1OC=CC1C#CC=C)=O
-20053	mol	OC(C1OC=CC1C=C)=O
-20054	mol	OC(C1OC=CC1C#C)=O
-20055	mol	OC(c1occc1)=CC(O)=O
-20056	mol	O=CC1OC(=CC1)C=O
-20057	mol	OC(C1(OC=CC1C=O)C=C)=O
-20058	mol	OC(C1OC=CC1C=O)=O
-20059	mol	OC(C1OC(CC1)C(O)=O)=O
-20060	mol	OC(C1OC(CC1)N(=O)=O)=O
-20061	mol	OC(C1OC=CC1OC=O)=O
-20062	mol	O=Cc1oc(C=C)cc1
-20063	mol	O=Cc1occ(C=C)c1C=O
-20064	mol	OC(C1OC(O)=CC1)=O
-20065	mol	OC(C1(OC=O)CC=CO1)=O
-20066	mol	O=CC2(C1CC=CO1)CC=CO2
-20067	mol	O=Cc2c1ccoc1ccc2
-20068	mol	O=CC2(C1CCOC1)CC=CO2
-20069	mol	O=Cc2c1occc1ccc2
-20070	mol	O=Cc2cc1ccoc1c(Cl)c2
-20071	mol	O=Cc2cc1occc1cc2
-20072	mol	O=Cc2ccc1ccoc1c2Br
-20073	mol	O=Cc2ccc1ccoc1c2C
-20074	mol	O=Cc2ccc1ccoc1c2N
-20075	mol	O=Cc2ccc(c1ccccc1)cc2C=O
-20076	mol	O=Cc2ccc(C1CCCCC1)cc2C=O
-20077	mol	O=Cc2ccccc2c1ccccc1
-20078	mol	O=C(c2ccccc2)c1ccccc1
-20079	mol	O=Cc2cc(ccc2)c1ccccc1
-20080	mol	O=Cc2ccccc2C1CCCCC1
-20081	mol	O=CC2CCCCC2c1ccccc1
-20082	mol	O=CC2CC(CCC2)c1ccccc1
-20083	mol	O=CC2CCC(CC2)c1ccccc1
-20084	mol	O=CC2CCCCC2C1CCCCC1
-20085	mol	OC(C2CCCCC2)C1CCCCC1
-20086	mol	OC(C2CC(CCC2)c1ccccc1)=O
-20087	mol	OC(C2CCCCC2C1CCCCC1)=O
-20088	mol	O=C(C2CCCCC2)CCc1ccccc1
-20089	mol	O=C(C2CC=CO2)C1CC=CO1
-20090	mol	O=C(C2CCCO2)C1CC=CO1
-20091	mol	OC(C2CCCO2)C1C=COC1
-20092	mol	O=Cc2cc(co2)c1cocc1
-20093	mol	O=C(C2CC=CO2)c1cocc1
-20094	mol	O=C(C2CCCO2)c1cocc1
-20095	mol	O=CC2(CC=CO2)c1cocc1
-20096	mol	O=CC2(CCCO2)c1cocc1
-20097	mol	O=Cc2cc(co2)c1occc1
-20098	mol	O=C(C2CC=CO2)c1occc1
-20099	mol	O=CC2C=C(OC2)C1CCCO1
-20100	mol	O=CC2C=COC2C1CC=CO1
-20101	mol	O=C(C2CCOC2)C1C=COC1
-20102	mol	O=Cc2ccoc2c1cocc1
-20103	mol	O=Cc2cc(oc2)c1cocc1
-20104	mol	O=C(C2CCOC2)c1cocc1
-20105	mol	O=C(C2CCOC2)c1occc1
-20106	mol	O=CC2CC(OC2)c1occc1
-20107	mol	O=Cc2cocc2C1CCCO1
-20108	mol	O=Cc2cocc2C1=CCCO1
-20109	mol	O=Cc2cocc2C1CC=CO1
-20110	mol	O=CC2COCC2C1CC=CO1
-20111	mol	O=Cc2cocc2C1C=COC1
-20112	mol	O=Cc2cocc2c1cocc1
-20113	mol	O=C(c2cocc2)c1cocc1
-20114	mol	O=CC2COCC2c1cocc1
-20115	mol	O=Cc2cocc2c1occc1
-20116	mol	O=C(c2cocc2)c1occc1
-20117	mol	O=CC2OC(C1C=COC1)=CC2
-20118	mol	O=CC2OCCC2C1CC=CO1
-20119	mol	O=CC2OCCC2C1CCOC1
-20120	mol	O=Cc2occc2c1cocc1
-20121	mol	O=CC2OC=CC2c1cocc1
-20122	mol	O=CC2OC(CC2)c1cocc1
-20123	mol	O=C(c2occc2)c1occc1
-20124	mol	OC(c2occc2)c1occc1
-20125	mol	OC=CBr
-20126	mol	OC(C)Br
-20127	mol	OC#CBr
-20128	mol	OC(C)(Br)C1CCCCC1
-20129	mol	OCC(Br)CC
-20130	mol	OC=C(Br)C#CC=C
-20131	mol	OC(C)(Br)CC=C=C
-20132	mol	OCC(Br)(CCC#C)N(=O)=O
-20133	mol	OC(C)(Br)CC(O)=O
-20134	mol	OC=C(Br)C(O)=O
-20135	mol	OCCC
-20136	mol	O=CC=C
-20137	mol	OC=CC
-20138	mol	OC=C=C
-20139	mol	OC(C)C
-20140	mol	OC(C)=C
-20141	mol	OC#CC
-20142	mol	OCC=C
-20143	mol	OCC#C
-20144	mol	Oc(cc1Br)c(C=C)cc1Cl
-20145	mol	Oc(cc1Br)oc1C=O
-20146	mol	O(CCC1c2ccccc2)C1
-20147	mol	O(CCC1C2CC=CO2)C1
-20148	mol	O(CCC1C2CCCO2)C1
-20149	mol	O(CCC1C2C=COC2)C1
-20150	mol	O(CCC1C2CCOC2)C1
-20151	mol	O(CCC1c2cocc2)C1
-20152	mol	O(CCC1C2=COCC2)C1
-20153	mol	O(CCC1c2occc2)C1
-20154	mol	O(CCC1Cc2ccccc2)C1
-20155	mol	O(CCC1CC2C=COC2)C1
-20156	mol	O(CCC1CC2CCOC2)C1
-20157	mol	O(CCC1C=CC2CCOC2)C1
-20158	mol	O(CCC1C=Cc2cocc2)C1
-20159	mol	O(CCC1CCc2cocc2)C1
-20160	mol	Oc(cc1ccc2)oc1c2F
-20161	mol	O(CCC1CCc2occc2)C1
-20162	mol	OCCc1ccccc1
-20163	mol	O=CCc1ccccc1
-20164	mol	OC=Cc1ccccc1
-20165	mol	OC(=C)c1ccccc1
-20166	mol	OC(C)c1ccccc1
-20167	mol	OC#Cc1ccccc1
-20168	mol	OCCC1CCCCC1
-20169	mol	O=CCC1CCCCC1
-20170	mol	OC=CC1CCCCC1
-20171	mol	OC(C)C1CCCCC1
-20172	mol	OC#CC1CCCCC1
-20173	mol	O=CCc1ccccc1C
-20174	mol	O=CC(c1ccccc1)=C
-20175	mol	O=CC(C1CCCCC1)=C
-20176	mol	OC=C(c1ccccc1)C=C
-20177	mol	OC(=Cc1ccccc1)C=C
-20178	mol	O=CC(C1CCCCC1)C=C
-20179	mol	OC=C(C1CCCCC1)C=C
-20180	mol	OC(=CC1CCCCC1)C=C
-20181	mol	OC(C)(C1CCCCC1)C=C
-20182	mol	OC(CC1CCCCC1)C(C)C=O
-20183	mol	OC(CC1CCCCC1)CC#N
-20184	mol	OC(C)(C1CCCCC1)CC=O
-20185	mol	OC=C(c1ccccc1)C=O
-20186	mol	OC(=Cc1ccccc1)C=O
-20187	mol	OC(C)c1ccccc1C=O
-20188	mol	OCCc1ccccc1C=O
-20189	mol	O=CC(C1CCCCC1)C=O
-20190	mol	OC(C)(C1CCCCC1)C=O
-20191	mol	OC(CC1CCCCC1)C=O
-20192	mol	OC#CC1CC(CCC1)C=O
-20193	mol	OCC(C1CCCCC1)C=O
-20194	mol	OC(C)(C1CCCCC1)C(=O)N
-20195	mol	OC=C(c1ccccc1)C(O)=O
-20196	mol	OC(Cc1ccccc1)C(O)=O
-20197	mol	OC=C(C1CCCCC1)C(O)=O
-20198	mol	OC(C)(C1CCCCC1)C(O)=O
-20199	mol	OC(CC1CCCCC1)C(O)=O
-20200	mol	OCC(C1CCCCC1)C(O)=O
-20201	mol	OC=C(c1ccccc1)N
-20202	mol	O=C(CC1CCCCC1)N
-20203	mol	OC(C)(C1CCCCC1)NC=O
-20204	mol	O=C(CC1CCCCC1)N(N)N
-20205	mol	OC(C)(C1CCCCC1)N(O)C=O
-20206	mol	OC(=CC1CCCCC1)N(=O)=O
-20207	mol	O=CC(c1ccccc1)=O
-20208	mol	OC=Cc1ccccc1O
-20209	mol	OC(C)c1ccccc1O
-20210	mol	OC#Cc1ccccc1O
-20211	mol	O=CC(C1CCCCC1)=O
-20212	mol	OC(CC1CCCCC1)=O
-20213	mol	OC=C(C1CCCCC1)OC=O
-20214	mol	Oc(cc1C)cc(C=C)c1C=C
-20215	mol	OC(C)(C1CCCCCCC1)C=O
-20216	mol	OC(C(C1CCCCCCC1)C(O)=O)=O
-20217	mol	OC(CC1CCCCCCC1)=O
-20218	mol	Oc(cc1C)c(C)c(C=O)c1O
-20219	mol	O=CCC1CCCO1
-20220	mol	O=CCC1CC=CO1
-20221	mol	OC=CC1CCCO1
-20222	mol	OC=CC1=CCCO1
-20223	mol	OC=CC1CC=CO1
-20224	mol	OC(C)C1CCCO1
-20225	mol	OC(C)C1=CCCO1
-20226	mol	OC(C)C1CC=CO1
-20227	mol	OC(CC1C=C)=CO1
-20228	mol	OC#CC1CCCO1
-20229	mol	OC#CC1CC=CO1
-20230	mol	O=CC(C1CCCO1)=C
-20231	mol	OC=C(C1CC=CO1)C=C
-20232	mol	OC=C(C1CCCO1)C=C
-20233	mol	OC(=CC1CC=CO1)C=C
-20234	mol	OC(=CC1CCCO1)C=C
-20235	mol	OC(C)(C1CC=CO1)C=C
-20236	mol	OC=C(C1CC=CO1)C=C=C
-20237	mol	O=CC(C1CC=CO1)C#CC#C
-20238	mol	OC(C(C1CCCO1)C#C)C=O
-20239	mol	OC(CC1CC=CO1)CC(O)=O
-20240	mol	O=CC(C1CC=CO1)C=O
-20241	mol	O=CC(C1CC=CO1)(C=O)C=O
-20242	mol	OC=C(C1CCCO1)C(O)=O
-20243	mol	OC(C(C1CC=CO1)C=O)=O
-20244	mol	O=CC(C1CC=CO1)N(=O)=O
-20245	mol	O=CC(C1CC=CO1)=O
-20246	mol	O=CC(C1CCCO1)=O
-20247	mol	OC(CC1=CCCO1)=O
-20248	mol	OC(CC1CC=CO1)=O
-20249	mol	OC(CC1CCCO1)=O
-20250	mol	OC(C(C1CCNCC1)C#C)=O
-20251	mol	OCCC1CCOC1
-20252	mol	O=CCC1C=COC1
-20253	mol	OC=CC1CCOC1
-20254	mol	OC(C)C1C=COC1
-20255	mol	OC#CC1CCOC1
-20256	mol	OC#CC1C=COC1
-20257	mol	O=CC(C1C=COC1)=C
-20258	mol	O=CC(C1CCOC1)=C
-20259	mol	Oc(cc1C=C)oc1C=C
-20260	mol	Oc(cc1C#C)oc1C=C
-20261	mol	OC=C(C1C=COC1)C=C
-20262	mol	OC=C(C1CCOC1)C=C
-20263	mol	OC(=CC1C=COC1)C#C
-20264	mol	OC(=CC1CCOC1)C=C
-20265	mol	OC(CC1C=COC1)C#C
-20266	mol	OCC(C1C=COC1)C=C
-20267	mol	OC(C(C1C=COC1)C=C)=O
-20268	mol	O=CC(C1C=COC1)C=O
-20269	mol	OC=C(C1CCOC1)C=O
-20270	mol	OC(=CC1C=COC1)C=O
-20271	mol	OC=C(C1CCOC1)C(O)=O
-20272	mol	O=CC(C1C=COC1)=O
-20273	mol	O=CC(C1CCOC1)=O
-20274	mol	OC(CC1C=COC1)=O
-20275	mol	OC(CC1CCOC1)=O
-20276	mol	Oc(cc1Cl)c(C=C)cc1Br
-20277	mol	Oc(cc1Cl)cc(C=C=C)c1F
-20278	mol	Oc(cc1Cl)oc1Br
-20279	mol	OC(CC1Cl)OC1C=C=C
-20280	mol	Oc(cc1C)oc1C=C
-20281	mol	Oc(cc1C)oc1C=O
-20282	mol	OCCc1cocc1
-20283	mol	O=CCc1cocc1
-20284	mol	OC=Cc1cocc1
-20285	mol	OC(=C)c1cocc1
-20286	mol	OC(C)c1cocc1
-20287	mol	OC#Cc1cocc1
-20288	mol	O=CCC1=COCC1
-20289	mol	OC(=C)C1=COCC1
-20290	mol	OC(C)C1=COCC1
-20291	mol	O=CC(c1cocc1)=C
-20292	mol	OC=C(c1cocc1)C#C
-20293	mol	OC(=Cc1cocc1)C=C
-20294	mol	OC=C(c1cocc1)C=O
-20295	mol	OC(=Cc1cocc1)C=O
-20296	mol	OC=C(c1cocc1)C(O)=O
-20297	mol	O=CC(c1cocc1)=O
-20298	mol	OC(CC1C=O)=CO1
-20299	mol	Oc(cc1F)cc(C)c1C=C
-20300	mol	Oc(cc1F)cc(C)c1F
-20301	mol	Oc(cc1F)cc(C=C)c1F
-20302	mol	Oc(cc1F)cc(C=C)c1O
-20303	mol	Oc(cc1F)cc(C=O)c1O
-20304	mol	Oc(cc1F)cc(F)c1C=C
-20305	mol	Oc(cc1F)cc(F)c1F
-20306	mol	Oc(cc1F)cc(F)c1O
-20307	mol	Oc(cc1F)cc(O)c1C
-20308	mol	Oc(cc1F)cc(O)c1C=C
-20309	mol	Oc(cc1F)cc(O)c1F
-20310	mol	OC(CC1N)CC(C1N)C=C
-20311	mol	Oc(cc1N)cc(c1O)C(=O)N
-20312	mol	Oc(cc1N)cc(C=C)c1C=C
-20313	mol	Oc(cc1N)cc(C=C)c1O
-20314	mol	OC(CC1)OC1(O)C=C
-20315	mol	O(CCC1Oc2ccccc2)C1
-20316	mol	OCCc1occc1
-20317	mol	O=CCc1occc1
-20318	mol	OC=Cc1occc1
-20319	mol	OC(C)c1occc1
-20320	mol	OC#Cc1occc1
-20321	mol	OC=C(c1occc1)C=C
-20322	mol	OC=C(c1occc1)C(O)=O
-20323	mol	OC#CC1OC=CC1C(O)=O
-20324	mol	O=CC(c1occc1)=O
-20325	mol	Oc(cc1O)cc(C)c1C=C
-20326	mol	Oc(cc1O)cc(C)c1O
-20327	mol	Oc(cc1O)cc(C=C)c1C
-20328	mol	Oc(cc1O)cc(C=C)c1C=C
-20329	mol	Oc(cc1O)cc(C=C)c1N
-20330	mol	Oc(cc1O)cc(C=C)c1O
-20331	mol	OC(CC1OC=C=C)=CO1
-20332	mol	Oc(cc1O)cc(C=O)c1C=C
-20333	mol	Oc(cc1O)cc(C=O)c1C=O
-20334	mol	Oc(cc1O)cc(C=O)c1O
-20335	mol	Oc(cc1O)cc(N)c1C=C
-20336	mol	Oc(cc1O)cc(O)c1C
-20337	mol	OC(CC1O)CC(O)C1C
-20338	mol	Oc(cc1O)cc(O)c1C=C
-20339	mol	OC(CC1O)CC(O)C1C(C)C
-20340	mol	Oc(cc1O)cc(O)c1F
-20341	mol	Oc(cc1O)cc(O)c1O
-20342	mol	OC(CC1OC=O)=CO1
-20343	mol	Oc(cc1O)oc1C
-20344	mol	Oc(cc1O)oc1C=C
-20345	mol	OC(CC2c1ccccc1)=CO2
-20346	mol	O(CCC2C1=CCCO1)C2
-20347	mol	O(CCC2C1CC=CO1)C2
-20348	mol	O(CCC2C1CCCO1)C2
-20349	mol	OC(CC2C1CC=CO1)=CO2
-20350	mol	O(CCC2C1C=COC1)C2
-20351	mol	OC(CC2C1CCOC1)=CO2
-20352	mol	O(CCC2c1cocc1)C2
-20353	mol	O(CCC2C1=COCC1)C2
-20354	mol	OC(CC2c1cocc1)=CO2
-20355	mol	O(CCC2c1occc1)C2
-20356	mol	OC(CC2c1occc1)=CO2
-20357	mol	O(CCC2Cc1cocc1)C2
-20358	mol	O(CCC2C#CC1CC=CO1)C2
-20359	mol	O(CCC2CCC1CC=CO1)C2
-20360	mol	O(CCC2C=Cc1cocc1)C2
-20361	mol	O(CCC2C#Cc1cocc1)C2
-20362	mol	O(CCC2C=Cc1occc1)C2
-20363	mol	O(CCC2C#Cc1occc1)C2
-20364	mol	O=CC(C2CCCCC2)c1ccccc1
-20365	mol	OC(C(C2CCCCC2)CCc1ccccc1)=O
-20366	mol	OC(CC2C)OC2c1cocc1
-20367	mol	OCCCBr
-20368	mol	OC=C=CBr
-20369	mol	OC(C)(C)Br
-20370	mol	OC=C=C(Br)Br
-20371	mol	OC=C=C(Br)C=C=C
-20372	mol	OC=C=C(Br)C#N
-20373	mol	OCCCC
-20374	mol	O=CCC=C
-20375	mol	OC=C=CC
-20376	mol	OC=C(C)C
-20377	mol	OC=CC=C
-20378	mol	OC=CC#C
-20379	mol	OC(=C)C#C
-20380	mol	OC(C)=C=C
-20381	mol	OC(C)(C)C
-20382	mol	OC(C)C=C
-20383	mol	OC(C)C#C
-20384	mol	OC#CC=C
-20385	mol	OC#CC#C
-20386	mol	OCC(C)C
-20387	mol	OCCC=C
-20388	mol	OCCC#C
-20389	mol	O=Cc(cc1cc2)oc1cc2
-20390	mol	Oc(ccc1C)cc1C
-20391	mol	OC(CCC1C)CC1C
-20392	mol	Oc(ccc1C)cc1C=C
-20393	mol	OC(CCC1C)CC1C(C)C
-20394	mol	OC(C(CC1)CCC1C=C)=O
-20395	mol	Oc(ccc1C)cc1C=O
-20396	mol	OC(C(CC1)CCC1C=O)=O
-20397	mol	Oc(ccc1C)cc1F
-20398	mol	Oc(ccc1C)cc1N
-20399	mol	Oc(ccc1C)cc1O
-20400	mol	OCc(cc1)ccc1O
-20401	mol	OC(CCC1C)CC1O
-20402	mol	Oc(ccc1C=C)cc1C
-20403	mol	OC(CCC1C#C)CC1C
-20404	mol	Oc(ccc1C=C)cc1C=C
-20405	mol	Oc(ccc1C#C)cc1Cl
-20406	mol	Oc(ccc1C=C)cc1C=O
-20407	mol	Oc(ccc1C=C)cc1F
-20408	mol	Oc(ccc1C=C)cc1N
-20409	mol	Oc(ccc1C=C)cc1O
-20410	mol	OCCCc1ccccc1
-20411	mol	O=CCCc1ccccc1
-20412	mol	O=CC=Cc1ccccc1
-20413	mol	O=CC#Cc1ccccc1
-20414	mol	OC(C=C)c1ccccc1
-20415	mol	OC(C)Cc1ccccc1
-20416	mol	OC(C)=Cc1ccccc1
-20417	mol	OC(C)(C)c1ccccc1
-20418	mol	OC(C#C)c1ccccc1
-20419	mol	OCC(C)c1ccccc1
-20420	mol	OCCCC1CCCCC1
-20421	mol	O=CCCC1CCCCC1
-20422	mol	O=CC=CC1CCCCC1
-20423	mol	O=CC#CC1CCCCC1
-20424	mol	OC(C)CC1CCCCC1
-20425	mol	OC(C)=CC1CCCCC1
-20426	mol	OC(C)(C)C1CCCCC1
-20427	mol	OCC(C)C1CCCCC1
-20428	mol	O=CC(=Cc1ccccc1)C=C
-20429	mol	O=CCC(C1CCCCC1)CC=O
-20430	mol	OCC(CC1CCCCC1)CC=O
-20431	mol	OC(CCc1ccccc1)C=O
-20432	mol	O=CC=C(C1CCCCC1)C=O
-20433	mol	O=CC(CC1CCCCC1)C=O
-20434	mol	O=CCC(C1CCCCC1)C=O
-20435	mol	OC(C)(CC1CCCCC1)C=O
-20436	mol	OC(C)C(C1CCCCC1)C=O
-20437	mol	OCCC(C1CCCCC1)C=O
-20438	mol	OC(CC(C1CCCCC1)C=O)=O
-20439	mol	OC(C)Cc1ccccc1N
-20440	mol	O=CC(Cc1ccccc1)=O
-20441	mol	OC(C)Cc1ccccc1O
-20442	mol	OC(C)(C)c1ccccc1O
-20443	mol	OC(CCc1ccccc1)=O
-20444	mol	OC=C(C)C1CC(C)=CC1=O
-20445	mol	OC(CCC1CCCCC1)=O
-20446	mol	OC(CCc1ccccc1O)=O
-20447	mol	OC(CC(C1CCCCC1)=O)=O
-20448	mol	OC=C=CC1CCCNC1
-20449	mol	OCCCC1CCCO1
-20450	mol	O=CC=CC1CCCO1
-20451	mol	O=CC=CC1=CCCO1
-20452	mol	O=CC=CC1CC=CO1
-20453	mol	O=CC(=C)C1=CCCO1
-20454	mol	O=CC#CC1CCCO1
-20455	mol	O=CC#CC1=CCCO1
-20456	mol	O=CC#CC1CC=CO1
-20457	mol	OC=C(C)C1CCCO1
-20458	mol	OC=C(C)C1CC=CO1
-20459	mol	OC(C)=CC1CC=CO1
-20460	mol	OC(C)(C)C1CCCO1
-20461	mol	OC(C)(C)C1CC=CO1
-20462	mol	OC(C)CC1=CCCO1
-20463	mol	OCC(C)C1CCCO1
-20464	mol	OCC(C)C1CC=CO1
-20465	mol	O=CC(=CC1CC=CO1)C=C
-20466	mol	O=CC(=CC1CCCO1)C=C
-20467	mol	OC=C=C(C1CC=CO1)C=C
-20468	mol	OC(C)=C(C1CC=CO1)C=C
-20469	mol	OC(C)(CC1CC=CO1)C=C
-20470	mol	OCCC(C1CC=CO1)C#C
-20471	mol	OC(CCC1CC=CO1)CC=C
-20472	mol	O=CC(=CC1CC=CO1)C=O
-20473	mol	O=CC(CC1CC=CO1)C=O
-20474	mol	O=CCC(C1CC=CO1)C=O
-20475	mol	OC(C)C(C1CCCO1)C(O)=O
-20476	mol	OCC(CC1CCCO1)C(O)=O
-20477	mol	OC(CCC1CC=CO1)=O
-20478	mol	OC=C=Cc1ccncc1
-20479	mol	OC=C=CC1CCNCC1
-20480	mol	OC=C=C(C1CCNCC1)C#N
-20481	mol	OCCCC1CCOC1
-20482	mol	O=CC=CC1CCOC1
-20483	mol	O=CC=CC1C=COC1
-20484	mol	O=CC#CC1CCOC1
-20485	mol	O=CC#CC1C=COC1
-20486	mol	OC=C=CC1C=COC1
-20487	mol	O=CC(=CC1CCOC1)C=C
-20488	mol	O=CCC(C1C=COC1)C=C
-20489	mol	O=CCC(C1CCOC1)C=C
-20490	mol	OCCC(C1CCOC1)CC=O
-20491	mol	OCC(C)(C1CCOC1)C(O)=O
-20492	mol	OCC(CC1CCOC1)C(O)=O
-20493	mol	Oc(ccc1Cl)cc1[SiH3]
-20494	mol	OCCCc1cocc1
-20495	mol	O=CCCc1cocc1
-20496	mol	O=CC=Cc1cocc1
-20497	mol	O=CC#Cc1cocc1
-20498	mol	OC=C=Cc1cocc1
-20499	mol	OC=C(C)c1cocc1
-20500	mol	OC(C=C)c1cocc1
-20501	mol	OC(C)Cc1cocc1
-20502	mol	OC(C)(C)c1cocc1
-20503	mol	OCC(C)c1cocc1
-20504	mol	O=CC=CC1=COCC1
-20505	mol	O=CC(=C)C1=COCC1
-20506	mol	O=CC#CC1=COCC1
-20507	mol	OC(C=C)C1=COCC1
-20508	mol	Oc(ccc1C=O)cc1C
-20509	mol	Oc(ccc1C=O)cc1C=C
-20510	mol	Oc(ccc1C=O)cc1C#C
-20511	mol	O=CC=C(c1cocc1)C#C
-20512	mol	Oc(ccc1C=O)cc1C=O
-20513	mol	O=CC=C(c1cocc1)C=O
-20514	mol	Oc(ccc1C=O)cc1O
-20515	mol	OC(CCc1cocc1)=O
-20516	mol	Oc(ccc1C(=O)N)cc1F
-20517	mol	Oc(ccc1C(=O)N)cc1N
-20518	mol	O=Cc(cc1C=O)oc1C=O
-20519	mol	Oc(ccc1F)cc1C
-20520	mol	Oc(ccc1F)cc1C=C
-20521	mol	Oc(ccc1F)cc1C(=O)N
-20522	mol	Oc(ccc1F)cc1F
-20523	mol	Oc(ccc1F)cc1N
-20524	mol	Oc(ccc1F)cc1O
-20525	mol	OCc(cc1F)c(F)c(F)c1F
-20526	mol	Oc(ccc1N)cc1C
-20527	mol	OC(CCC1N)CC1C
-20528	mol	Oc(ccc1N)cc1C=C
-20529	mol	Oc(ccc1N)cc1C=O
-20530	mol	Oc(ccc1N)cc1F
-20531	mol	Oc(ccc1N)cc1N
-20532	mol	Oc(ccc1N)cc1O
-20533	mol	Oc(ccc1NC=O)cc1O
-20534	mol	OCC(CC1)OC1O
-20535	mol	OC(C(CC1)OC1OC#C)=O
-20536	mol	OC(C(CC1)OC1OC=O)=O
-20537	mol	Oc(ccc1O)cc1C
-20538	mol	Oc(ccc1O)cc1C=C
-20539	mol	Oc(ccc1O)cc1C#C
-20540	mol	Oc(ccc1O)cc1C=O
-20541	mol	OC(CCC1O)CC1C=O
-20542	mol	Oc(ccc1O)cc1C(=O)N
-20543	mol	Oc(ccc1O)cc1F
-20544	mol	Oc(ccc1O)cc1N
-20545	mol	Oc(ccc1O)cc1O
-20546	mol	OCCCc1occc1
-20547	mol	O=CCCc1occc1
-20548	mol	O=CC=Cc1occc1
-20549	mol	O=CC#Cc1occc1
-20550	mol	OC=C(C)c1occc1
-20551	mol	OC(C=C)c1occc1
-20552	mol	OC(C)Cc1occc1
-20553	mol	OCC#Cc1occc1
-20554	mol	O=CC=C(c1occc1)C=O
-20555	mol	OC(CCC1O)NC1F
-20556	mol	O=CC(CC2C1CCOC1)=CO2
-20557	mol	O=Cc(cc2)ccc2C1CCCCC1
-20558	mol	OC(CC(C2CCCCC2)c1ccccc1)=O
-20559	mol	O=Cc(cc2C=O)cc(C=O)c2C1CCCCC1
-20560	mol	O=Cc(cc2)oc2C1C=COC1
-20561	mol	O=Cc(cc3C=O)cc(c2ccccc2)c3C1CCCCC1
-20562	mol	OCCCCC
-20563	mol	O=CC=CC=C
-20564	mol	O=CC#CC=C
-20565	mol	O=CCC=C=C
-20566	mol	O=CCCC=C
-20567	mol	OC=C=CC=C
-20568	mol	OC=C(C)C#C
-20569	mol	OC=CC=CC
-20570	mol	OC=CC=C=C
-20571	mol	OC=CC(C)=C
-20572	mol	OC=CCC=C
-20573	mol	OC(=C=C)C=C
-20574	mol	OC(=C)C=C=C
-20575	mol	OC(C)=C(C)C
-20576	mol	OC(C)=CC=C
-20577	mol	OC(C)=CC#C
-20578	mol	OC(C)(C)C=C
-20579	mol	OC(C)(C)C#C
-20580	mol	OC(C)C(C)C
-20581	mol	OC(C)C#CC
-20582	mol	OC(C)CC=C
-20583	mol	OC(C)CC#C
-20584	mol	OC(C#C)C=C
-20585	mol	OC(C#C)C#C
-20586	mol	OC(CC=C)=C
-20587	mol	OC#CCC=C
-20588	mol	OCC=CC=C
-20589	mol	OCC(C)CC
-20590	mol	OCC(C)(C)C
-20591	mol	OCC(C)C=C
-20592	mol	OCC(C)C#C
-20593	mol	OCC#CC=C
-20594	mol	OCC#CC#C
-20595	mol	OCCC(C)C
-20596	mol	OCCC#CC
-20597	mol	OCCCC=C
-20598	mol	OCCCC#C
-20599	mol	OC(C(CCC1)CC1C=O)=O
-20600	mol	OC(C(CCC1)CC1OC=O)=O
-20601	mol	OC#Cc(cc1cc2)oc1cc2
-20602	mol	OC#Cc(cc1)ccc1O
-20603	mol	OCCCCc1ccccc1
-20604	mol	O=CCCCc1ccccc1
-20605	mol	O=CCC#Cc1ccccc1
-20606	mol	OC(C=C)Cc1ccccc1
-20607	mol	OC(C)CCc1ccccc1
-20608	mol	OC(C)(C)Cc1ccccc1
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-20610	mol	OC#CC#Cc1ccccc1
-20611	mol	OCC(C)Cc1ccccc1
-20612	mol	OCC(CC)c1ccccc1
-20613	mol	OCCC(C)c1ccccc1
-20614	mol	OCCCCC1CCCCC1
-20615	mol	O=CCCCC1CCCCC1
-20616	mol	O=CC=C=CC1CCCCC1
-20617	mol	OC(C)CCC1CCCCC1
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-20619	mol	OCC(C)CC1CCCCC1
-20620	mol	OCC(CC)C1CCCCC1
-20621	mol	OCCC(C)C1CCCCC1
-20622	mol	OCCCCc1ccccc1C
-20623	mol	O=C(CCCc1ccccc1)c2ccccc2
-20624	mol	O=CC(CCc1ccccc1)c2ccccc2
-20625	mol	O=CCC(Cc1ccccc1)c2ccccc2
-20626	mol	O=CCCCc1ccccc1C=O
-20627	mol	OC(C(CCc1ccccc1)C(O)=O)=O
-20628	mol	OCCCCc1ccccc1O
-20629	mol	O=CCCCc1ccccc1O
-20630	mol	OC=CC(C)c1ccccc1O
-20631	mol	OC(CCCc1ccccc1)=O
-20632	mol	OCC(C)(C)c1ccccc1O
-20633	mol	OCCC(C)c1ccccc1O
-20634	mol	OC(C)=C(C)C1CC(C)=CC1=O
-20635	mol	OC(CCCC1CCCCC1)=O
-20636	mol	OCC(C)C(C1CCCCC1)=O
-20637	mol	O=CCCCc1cc(C)ccc1C=O
-20638	mol	OC(CCCc1cc(C)ccc1C=O)=O
-20639	mol	OC(CCCc1cc(C)cc(C(C)C)c1C=O)=O
-20640	mol	OC(CCCc1ccc(C)c(C=O)c1O)=O
-20641	mol	O=CCCCc1ccccn1
-20642	mol	OCCCCC1CCCO1
-20643	mol	O=CC=C=CC1CCCO1
-20644	mol	OC=CC=CC1=CCCO1
-20645	mol	OC(=C)C=CC1CCCO1
-20646	mol	OC(C)CCC1CCCO1
-20647	mol	OC(C)C(C)C1=CCCO1
-20648	mol	OCC(C)CC1CCCO1
-20649	mol	OCC(C)(C)C1CCCO1
-20650	mol	OCC(C)(C)C1=CCCO1
-20651	mol	OCC(C)CC1=CCCO1
-20652	mol	OCC(CC)C1CCCO1
-20653	mol	OCC(CC)C1CC=CO1
-20654	mol	OCCCCC1CC=CO1
-20655	mol	OC=C=CC(C1CCCO1)=C=C
-20656	mol	OC(C=C)=C(C1CC=CO1)C=C
-20657	mol	OC(CC=C)(C1CC=CO1)C=C
-20658	mol	OCC(C)(CC1CC=CO1)C=O
-20659	mol	OC(CCCC1=CCCO1)=O
-20660	mol	OC(CCCC1CC=CO1)=O
-20661	mol	OC(CCCc1cc(C=O)c(C)cc1O)=O
-20662	mol	O=CC=C=CC1CCNCC1
-20663	mol	OC(CCCc1ccncc1)=O
-20664	mol	O=CCCCC1CCOC1
-20665	mol	OC(C)CCC1CCOC1
-20666	mol	OC(C)C(C)C1C=COC1
-20667	mol	OC#CC#CC1CCOC1
-20668	mol	OCC(C)CC1CCOC1
-20669	mol	OCC(CC)C1CCOC1
-20670	mol	OCC(CC)C1C=COC1
-20671	mol	OCCC(C)C1CCOC1
-20672	mol	OC(C(C#C)C1C=COC1)=O
-20673	mol	OC(CCCC1C=COC1)=O
-20674	mol	OC(CCCC1CCOC1)=O
-20675	mol	OCCCCc1cocc1
-20676	mol	OC(C=C)Cc1cocc1
-20677	mol	OC(C)(C=C)c1cocc1
-20678	mol	OC(C)(C)Cc1cocc1
-20679	mol	OC#CC#Cc1cocc1
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-20682	mol	OCCC(C)c1cocc1
-20683	mol	O=CC=C=CC1=COCC1
-20684	mol	OC(C)(C=C)C1=COCC1
-20685	mol	OCc(ccc1C=O)cc1C
-20686	mol	OC(C=C)=C(c1cocc1)C=C
-20687	mol	O=Cc(ccc1C=O)cc1C=O
-20688	mol	O=CC(CCC1C=O)CC1C=O
-20689	mol	OC(C(CCC1C=O)CC1C=O)=O
-20690	mol	OC(CCCc1cocc1)=O
-20691	mol	O=Cc(ccc1oc2)cc1c2Cl
-20692	mol	OCCCCc1occc1
-20693	mol	O=CC(C=C)c1occc1
-20694	mol	OC(C)CCc1occc1
-20695	mol	OC(C)(C=C)c1occc1
-20696	mol	OC(CC=C)c1occc1
-20697	mol	OC(CC#C)c1occc1
-20698	mol	OC#CC#Cc1occc1
-20699	mol	OCC(CC)c1occc1
-20700	mol	OCCC(C)c1occc1
-20701	mol	OC(CCCC1O)CCC1C(OC=O)=O
-20702	mol	O=Cc(ccc2c1ccccc1)cc2C=O
-20703	mol	O=Cc(ccc2C1CCCCC1)cc2C=O
-20704	mol	O=Cc(ccc2)cc2C1CCCCC1
-20705	mol	O=CC(CCC2)CC2C1CCCCC1
-20706	mol	O=CCCCc2cc(c1ccccc1)cc(C=O)c2C=O
-20707	mol	O=CCCCc2ccccc2c1ccccc1
-20708	mol	O=CCCC(c2ccccc2)c1ccccc1
-20709	mol	O=CCCCc2cc(ccc2)c1ccccc1
-20710	mol	O=CCCCc2ccc(cc2)c1ccccc1
-20711	mol	O=C(CCCC2CCCCC2)c1ccccc1
-20712	mol	OC(C(CCC2CCC(C(O)=O)c1ccccc1)CC2C(O)=O)=O
-20713	mol	OC(C=C)=C=C(Br)C=C=C
-20714	mol	OCCCCCC
-20715	mol	O=CC=C=CC=C
-20716	mol	O=CC(C=C)C=C
-20717	mol	O=CCC#CC=C
-20718	mol	O=CCC#CC#C
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-20727	mol	OC(=C)C#CC#C
-20728	mol	OC(C=C)=CC=C
-20729	mol	OC(C=C)=CC#C
-20730	mol	OC(C)(C=C)C=C
-20731	mol	OC(C)(C)CC=C
-20732	mol	OC(C)C(C)C=C
-20733	mol	OC(C)C(C)C#C
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-20735	mol	OC(C)CCC=C
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-20742	mol	OC#CC#CC=C
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-20747	mol	OCC(C)C=C=C
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-20749	mol	OCC(C)CC=C
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-20754	mol	OCC(CC)C=C
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-20758	mol	OCCC(C)C=C
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-20761	mol	OCCCC=C=C
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-20763	mol	OCCCCC=C
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-20765	mol	OC=Cc(ccc1)cc1O
-20766	mol	OC(=C)c(ccc1)cc1O
-20767	mol	OC(C)c(ccc1)cc1O
-20768	mol	OCCCC(CC1)CCC1CC
-20769	mol	OCC(C)c(cc1)ccc1O
-20770	mol	O=CCCCCc1ccccc1
-20771	mol	OC(C=C)C=Cc1ccccc1
-20772	mol	OC(C)C(C=C)c1ccccc1
-20773	mol	OC(C)CC(C)c1ccccc1
-20774	mol	OCC(C)(CC)c1ccccc1
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-20776	mol	OCCC(C)Cc1ccccc1
-20777	mol	OCCC(CC)c1ccccc1
-20778	mol	O=CCCCCC1CCCCC1
-20779	mol	OCC(C)C(C)C1CCCCC1
-20780	mol	OCCC(C)CC1CCCCC1
-20781	mol	OCCCC(C)C1CCCCC1
-20782	mol	O=CC(CCCc1ccccc1)C=O
-20783	mol	O=CCCC(CC1CCCCC1)C=O
-20784	mol	O=C(CCCCC1CCCCC1)N
-20785	mol	OC(CCCc(c1C(C)C)c(C=O)ccc1C)=O
-20786	mol	OC(CCCCC1CC=CO1)=O
-20787	mol	OC(C)C(C)CC1CCOC1
-20788	mol	OCC(C)CCC1CCOC1
-20789	mol	O=CCCCCc1cocc1
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-20793	mol	OCCC(CC)c1cocc1
-20794	mol	O=CCc(ccc1C=O)cc1C
-20795	mol	OC(CC(C)(C)c1cocc1)=O
-20796	mol	OC(CCCCc1cocc1)=O
-20797	mol	OC=Cc(ccc1F)cc1F
-20798	mol	OCCCCCCC
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-20809	mol	OC(C)(CC=C)C=C
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-20811	mol	OC(C)C(C)CC=C
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-20867	mol	OC(C(C#C)C#C)C#C
-20868	mol	OC(C)(C)C(C#C)C#C
-20869	mol	OC(C)(CCC#C)C#C
-20870	mol	OC(C)C(CC#C)C#C
-20871	mol	OC(C)CC(C=C)C=C
-20872	mol	OC(C)CC(C)C(C)C
-20873	mol	OC(C)CCCC(C)C
-20874	mol	OC(C#C)=CC#CC=C
-20875	mol	OC(C#C)C(C#C)C=C
-20876	mol	OC(CC=C)(C=C)C=C
-20877	mol	OC(CC#C)C(C)C#C
-20878	mol	OC(CCC=C=C)C#C
-20879	mol	OC(CCC=C)CC=C
-20880	mol	OC#CC#CC#CC#C
-20881	mol	OCC(C)(C)CC(C)C
-20882	mol	OCC(C)(CC)CC#C
-20883	mol	OCC(C)C(C=C)C=C
-20884	mol	OCC(C)C(CC)C#C
-20885	mol	OCC(C)CC=CC#C
-20886	mol	OCC(C)CC(C)CC
-20887	mol	OCC(C)CCC(C)C
-20888	mol	OCC(C#C)C#CCC
-20889	mol	OCC(CC)C(C)(C)C
-20890	mol	OCC(CC)CC(C)C
-20891	mol	OCC(CCC=C)C=C
-20892	mol	OCCC(C)C=CC#C
-20893	mol	OCCC(C)C(C)CC
-20894	mol	OCCC(C)CC(C)C
-20895	mol	OCCC(CC)CCC
-20896	mol	OCCCC(C=C)C=C
-20897	mol	OCCCC(C)CCC
-20898	mol	OCCCC(CC)CC
-20899	mol	OCCCC#CCCC
-20900	mol	OCCCCC(C)CC
-20901	mol	OCCCCCC(C)C
-20902	mol	O=CC(C=C)c(ccc1)cc1O
-20903	mol	O=CCCCc(ccc1)cc1O
-20904	mol	OC(C)CCc(ccc1)cc1O
-20905	mol	OC(CCCc(ccc1C)cc1C=O)=O
-20906	mol	OCCCCCCCCC
-20907	mol	O=CC=C=C(C=C)C=C=C
-20908	mol	O=CC(C=C)=C(C=C)C=C
-20909	mol	OC=C=C(C=C=C)C=C=C
-20910	mol	OC(C(CC=C)C=C)C=C
-20911	mol	OC(C)(C(C=C)C=C)C=C
-20912	mol	OC(C)(C(C#C)C#C)C#C
-20913	mol	OC(C)(C)C(C)(C=C)C=C
-20914	mol	OC(C)(CC=C=C)C=C=C
-20915	mol	OC(CC#C)C(C#C)C=C
-20916	mol	OC#CC(C#C)=C(C)C#C
-20917	mol	OCC(C(C)(C)C=C)C=C
-20918	mol	OCC(C(C)(C)C)CC#C
-20919	mol	OCC(C(C)C)CCC=C
-20920	mol	OCC(C(C)CC=C)C=C
-20921	mol	OCC(C)(C(C)C)C(C)C
-20922	mol	OCC(C)CC(CC)CC
-20923	mol	OCC(CC=C=C)C=C=C
-20924	mol	OCC(CC)(CC)C(C)C
-20925	mol	OCCC(C)(C(C)C)C=C
-20926	mol	OCCC(C)CC(C)CC
-20927	mol	OCCC(CCC)CCC
-20928	mol	OCCCC(C)C(C)CC
-20929	mol	OCCCC(CC)CCC
-20930	mol	O=CCCCCCCCC1CCCCC1
-20931	mol	OC(C)CCCCCCC1CCCCC1
-20932	mol	OCCCC(CCCC)C1CCCCC1
-20933	mol	OCCCCCCCCCC
-20934	mol	O=CCCCC(C=C)C=C=C
-20935	mol	OC(C=C)=C(C=C)C=CC=C
-20936	mol	OC(C=C)=CC=C(C=C)C=C
-20937	mol	OC(C(CCC=C)C=C)C=C
-20938	mol	OC(C)CCC(C)CC(C)C
-20939	mol	OCC(C)C(C)(CC)C(C)C
-20940	mol	OCC(CC(C=C)C=C)C=C
-20941	mol	OCC(CC(CC)C=C)C=C
-20942	mol	OCC(CC)C=CC=CC#C
-20943	mol	OCC(CC)CC(C=C)C=C
-20944	mol	OCCC(C(C)(C)CC)C=C
-20945	mol	OCCC(CC(C)C)CC=C
-20946	mol	OCCCC(CC)CCCC
-20947	mol	OCCCC(CC)C(C)CC
-20948	mol	OCCCC(CCC)CCC
-20949	mol	OCCCCCC(C)C(C)C
-20950	mol	O=CCCCC(C#C)(C#C)C=C
-20951	mol	OC(C)(CC=C)C(C)(C=C)C=C
-20952	mol	OC(C)C(CC(C=C)C=C)C=C
-20953	mol	OC(C)CCCCCCC(C)C
-20954	mol	OC(CC(C=C)C=C)C(C)C=C
-20955	mol	OCC(C(C)CC=C)(C=C)C=C
-20956	mol	OCC(C)(CC(C=C)C=C)C=C
-20957	mol	OCC(CC(C(C)C)C=C)C=C
-20958	mol	OCCCC(CCC)CCCC
-20959	mol	OCCCC(CCC)C(C)CC
-20960	mol	OCCCCCCCC(C)CC
-20961	mol	OCCC(CCC(C)CC)C(C)CC
-20962	mol	OCCCCC(CCC)CCCCC
-20963	mol	OCCCC(C(C)CC)C(CC)CCC
-20964	mol	OCCCC(CCCC)C(CC)CCC
-20965	mol	OCCCCCCCCCCCCCCC
-20966	mol	OCCCC(C)C(CCC)C(CC)CCC
-20967	mol	OCCCC(CCCC)C(CCC)CCC
-20968	mol	OCCCCCC(CC)CCCCCCC
-20969	mol	OC(C)C(C(C)C)CCC(C)=O
-20970	mol	OC(C)C(C)(C)C(C(C)C)C=O
-20971	mol	OCC(C(C)C)C(C)(CC)C=O
-20972	mol	OCC(CC)(C(C)C)C(CC)=O
-20973	mol	OCCC(CCC)C(CC)C=O
-20974	mol	OCCCCC(CCC)C(N)C
-20975	mol	OC(C(C(C#C)C#C)C#C)=O
-20976	mol	OC(C(CCC#C)CC#C)=O
-20977	mol	OC(CCC(CC=C)C=C)=O
-20978	mol	OCC(CC(C=C)C=C)C=O
-20979	mol	OCC(CC)(CC)C(CC)=O
-20980	mol	OCC(CC)C(CC(C)C)=O
-20981	mol	OCCCC(C(C)CC)C=O
-20982	mol	OCCCC(CCCC)C=O
-20983	mol	OCCCCC(C(C)CC)=O
-20984	mol	OCC(C)C(CC(C)C)=C(O)C
-20985	mol	OCCCC(CCCC)C(=O)N
-20986	mol	OC(CCCCCCCC(=O)N)=O
-20987	mol	OCCC(CCC(C)C)C(O)=O
-20988	mol	OC(CCCCCCCC(O)=O)=O
-20989	mol	OCCCCCCCCN
-20990	mol	O=CCCC(CC=C)C=O
-20991	mol	OC(C(C#C)(C#C)C#C)=O
-20992	mol	OC(C)C(C(C)C)CC=O
-20993	mol	OC(C)C(C#C)(C#C)C=O
-20994	mol	OC(C)CC(C)(CC)C=O
-20995	mol	OC(C)CCC(CCC)=O
-20996	mol	OC(CCC(C#C)C#C)=O
-20997	mol	OCC(C)(C(C)C)C(C)=O
-20998	mol	OCC(C)(C)C(C(C)C)=O
-20999	mol	OCC(C)C(C)(CC)C=O
-21000	mol	OCC(C)CC(CCC)=O
-21001	mol	OCC(CC)C(C(C)C)=O
-21002	mol	OCCC(CC)(CC)C=O
-21003	mol	OCCC(CC)C(C)C=O
-21004	mol	OCCCC(CCCC)=O
-21005	mol	OC(C=C)=CC=CC=C(O)C=C
-21006	mol	OC(C)C(C)(C)C(C)(C=O)C=O
-21007	mol	OC(C)CC(C(C)C)(C=O)C=O
-21008	mol	OCC(C)CC(CC)(C=O)NN
-21009	mol	OC(C(CCCC=C)C=O)=O
-21010	mol	OCC(CC)(C(C)C)C(O)=O
-21011	mol	OC=CC#CC#CC#N
-21012	mol	OC(CCC=C=C)C#N
-21013	mol	OCCCCC(CC(N)C(O)=O)NC=O
-21014	mol	OCC(C)CC(CC)(NN)c1ccccc1
-21015	mol	OCCCCC(CC(N)N)NC=O
-21016	mol	OC(C(CC=C)C#C)=O
-21017	mol	OC(C(CC#C)C#C)=O
-21018	mol	OC(C)C(C(C)C)C=O
-21019	mol	OC(C)C(C)C(CC)=O
-21020	mol	OC(C)CC(C)(C)C=O
-21021	mol	OC(C)CC(C)C(C)=O
-21022	mol	OC(C)CC(C)CC=O
-21023	mol	OC(C)CC(CC)C=O
-21024	mol	OC(C)CCCC(C)=O
-21025	mol	OC(CC(C#C)C#C)=O
-21026	mol	OC(CCCCC=C)=O
-21027	mol	OC(CCCCC#C)=O
-21028	mol	OCC(C(C)C=C)C=O
-21029	mol	OCC(C)(CC)CC=O
-21030	mol	OCC(CC)C(C)C=O
-21031	mol	OCC(CC)C(CC)=O
-21032	mol	OCC(CC)CCC=O
-21033	mol	OCC(CCC=C)C=O
-21034	mol	OCCC(C(C)CC)=O
-21035	mol	OCCC(C)(CC)C=O
-21036	mol	OCCC(CC)CC=O
-21037	mol	OCCC(CCC)C=O
-21038	mol	OCCCC(CC)C=O
-21039	mol	OCCCC(CCC)=O
-21040	mol	OCCCCCCC(O)C
-21041	mol	OC(C)C(CCCC=O)c1ccccc1
-21042	mol	OCCC(CCCC=O)c1ccccc1
-21043	mol	OCC(C)C(C=C)=C(O)C=C
-21044	mol	OC(C)CC(C(C)C)OC=O
-21045	mol	OCC(CC)C(C)COC=O
-21046	mol	OCCCC(CC)C(=O)C=O
-21047	mol	OC(C)CC(CC)(C=O)C(O)=O
-21048	mol	OC(CC(CCC=C)OC=O)=O
-21049	mol	OCC(C)C(CC)=C(O)C(O)=O
-21050	mol	OC(C(C#C)(C#C)C=O)=O
-21051	mol	OC(C)(C)CCCC(O)=O
-21052	mol	OC(C)C(CC=C)C(O)=O
-21053	mol	OC(C)CC(C=C)C(O)=O
-21054	mol	OC(CCC=C)CC(O)=O
-21055	mol	OC(CCCCC(C)=O)=O
-21056	mol	OCC(C)(C(C)C)C(O)=O
-21057	mol	OCC(C)C(C)CC(O)=O
-21058	mol	OCC(CC#C)CC(O)=O
-21059	mol	OCC(CCC=C)C(O)=O
-21060	mol	OCCC(CCC)C(O)=O
-21061	mol	O=CC#CC(=C)C#N
-21062	mol	OCC(CCCCNC=O)C(O)=O
-21063	mol	OC=C(C#CC=C)N(=O)=O
-21064	mol	OC(C=C)(C=C=C)N(=O)=O
-21065	mol	O=CC=C(C#C)C=O
-21066	mol	O=CC#CC#CC=O
-21067	mol	O=CCCCCC=O
-21068	mol	OC(C(C)C=C)C=O
-21069	mol	OC(C(C#C)C=C)=O
-21070	mol	OC(C(C#C)C#C)=O
-21071	mol	OC(C)C(C(C)C)=O
-21072	mol	OC(C)CCC(C)=O
-21073	mol	OC(C#C)(C#C)C=O
-21074	mol	OC(CCC=C=C)=O
-21075	mol	OC(CCCC=C)=O
-21076	mol	OC(CCCC#C)=O
-21077	mol	OCC(C(C)C)C=O
-21078	mol	OCC(C)(CC)C=O
-21079	mol	OCC(C)C(C)C=O
-21080	mol	OCC(C)CCC=O
-21081	mol	OCC(CC)CC=O
-21082	mol	OCCC(C(C)C)=O
-21083	mol	OCCC(CCC)=O
-21084	mol	OCCCC(C)C=O
-21085	mol	OC=C(C=C)C(=CO)C=C
-21086	mol	OC=CC=CC(=CO)C=C
-21087	mol	OC=CC(C=C)=C(O)C=C
-21088	mol	OC(=C)C(C=C)=C(O)C=C
-21089	mol	OC(CCCCC(=O)C(C)=O)=O
-21090	mol	O=CCCC(CC=O)C=O
-21091	mol	O=CCCCC(C=O)C=O
-21092	mol	OC(C(C)CC=C)OC=O
-21093	mol	OC(C)CC(CC=O)C=O
-21094	mol	OCC(CCC=C)OC=O
-21095	mol	OCC(CCC(C)=O)C=O
-21096	mol	OCC(CC)C(COC=O)C=O
-21097	mol	OC(CC(CCC=O)C=O)=O
-21098	mol	OC(CCCC(C=O)C=O)=O
-21099	mol	OC(CCCCC(=O)C=O)=O
-21100	mol	OC(C=C=C)=C=C(O)N(=O)=O
-21101	mol	OC(C(CC=C)C=O)=O
-21102	mol	OC(C)CC(C)C(O)=O
-21103	mol	OC(C)CCCC(O)=O
-21104	mol	OC(CC(C#C)C=O)=O
-21105	mol	OC(CCC=C)C(O)=O
-21106	mol	OC(CCC#C)C(O)=O
-21107	mol	OC(CCCCC=O)=O
-21108	mol	OCC(C)(C=C)C(O)=O
-21109	mol	OCC(C)CCC(O)=O
-21110	mol	OCC(CC)CC(O)=O
-21111	mol	OCCC(C)CC(O)=O
-21112	mol	OCCCC(C)C(O)=O
-21113	mol	OC(C)CC(CC(O)=O)C=C
-21114	mol	OCC(CC)C(C(O)=O)C(O)=O
-21115	mol	OC(CCCCC(O)=O)=O
-21116	mol	OCCC(C)CF
-21117	mol	OCC(C)C(Cl)c1ccccc1
-21118	mol	OCC(C)C(Cl)C=C
-21119	mol	OC(C(C)(C(Cl)C=O)C=O)C=C
-21120	mol	OC(C)(C)CC#N
-21121	mol	OC(CCC(C)NC(O)=O)=O
-21122	mol	OC=C=C(C=C)N(=O)=O
-21123	mol	OCC(CC)CN(=O)=O
-21124	mol	OCCCCCO
-21125	mol	O=CCC=CC=O
-21126	mol	O=CCC#CC=O
-21127	mol	O=CCCCC=O
-21128	mol	OC=C(C#C)C=O
-21129	mol	OC=CC#CC=O
-21130	mol	OC(C=C)=CC=O
-21131	mol	OC(C)(C)CC=O
-21132	mol	OC(C)C(C)C=O
-21133	mol	OC(C)CCC=O
-21134	mol	OC(C#C)=CC=O
-21135	mol	OC(CC=C)C=O
-21136	mol	OC(CC#C)C=O
-21137	mol	OC(CCC=C)=O
-21138	mol	OC(CCC#C)=O
-21139	mol	OC#CC#CC=O
-21140	mol	OCC(C)(C)C=O
-21141	mol	OCC(C)CC=O
-21142	mol	OCC(C#C)C=O
-21143	mol	OCC(CC)C=O
-21144	mol	OCCC(C)CO
-21145	mol	OCCC(C)C=O
-21146	mol	OCCC(CC)=O
-21147	mol	OCCCCC=O
-21148	mol	OCC(CC)C(O)C
-21149	mol	OCC(C)C(C=O)c1ccccc1
-21150	mol	OCCCC(C=O)c1cocc1
-21151	mol	O=CC(C=C)C(=O)C=C
-21152	mol	O=CCCC(C=O)C=C
-21153	mol	O=CCCCCOC=C
-21154	mol	OC(C=C)=C(C=O)C=C
-21155	mol	OC(C)C#CC(=O)C#C
-21156	mol	OC(C)CC(CO)C=C
-21157	mol	OC(CC=C)(C=O)C=C
-21158	mol	OCC(C)C(CO)CC
-21159	mol	OCC(C)C(CO)C=C
-21160	mol	OCC(CCC=O)C=C
-21161	mol	O=CCCC(C=O)Cc1ccccc1
-21162	mol	OC(C)C(CC=O)Cc1ccccc1
-21163	mol	O=CCC(C(C=O)Cc1ccccc1)C=O
-21164	mol	OCC(CC(C=O)C=C)C=C
-21165	mol	OCCC(C(C=O)C=C)C=C
-21166	mol	OC(C=C)=CC(O)=C(C=C)C=C
-21167	mol	OCC(C)CC(O)(C)C(C)=O
-21168	mol	OC(CC(CC=O)C=C)C(O)=O
-21169	mol	O=CCC(CC=O)CC=O
-21170	mol	OC(CCC(C=O)C=C)=O
-21171	mol	O=CCC(CC=O)C(C=O)C=O
-21172	mol	OCC(CC(C=O)C=C)OC=O
-21173	mol	OC(C(CCC=O)CC=O)=O
-21174	mol	O=CCC(C)C(=O)C=O
-21175	mol	O=CCC(CC=O)C=O
-21176	mol	OC(C)(CCC=O)C=O
-21177	mol	OC(C)CC(C=O)C=O
-21178	mol	OC(C)CCCOC=O
-21179	mol	OC(CCCC=O)C=O
-21180	mol	OCC(C(C)C)OC=O
-21181	mol	OCC(C)(CC=O)C=O
-21182	mol	OCC(C)CC(O)C=O
-21183	mol	OCC(CC)C(=O)C=O
-21184	mol	OCCC(C)COC=O
-21185	mol	OCCC(CC=O)C=O
-21186	mol	OC(C)C(C)C(OC=O)C=C
-21187	mol	O=CCC(CC=O)C(=O)C=O
-21188	mol	OCC(C)CC(O)=COC=O
-21189	mol	OCCC(C(C=O)C=O)C=O
-21190	mol	OC(CC=C)C(O)(C=O)C(O)=O
-21191	mol	O=CCCCC(=O)C(O)=O
-21192	mol	OC(C)C(C)C(=O)C(O)=O
-21193	mol	OC(C)C(C)C(O)C(O)=O
-21194	mol	OC(CCC(C=O)C=O)=O
-21195	mol	OC(CCCC=O)C(O)=O
-21196	mol	OCC(CC)C(=O)C(O)=O
-21197	mol	OCCCC(C=O)C(O)=O
-21198	mol	OC(CCCC(=O)C(O)=O)=O
-21199	mol	OCCC(C)C(=O)N
-21200	mol	OCCCCC(=O)N
-21201	mol	OCC(CC)C(ON)=O
-21202	mol	OC=C(C=C)C(O)=O
-21203	mol	OC(C)(C)CC(O)=O
-21204	mol	OC(C)C(C)C(O)=O
-21205	mol	OC(C)C#CC(O)=O
-21206	mol	OC(C)CCC(O)=O
-21207	mol	OC(CCCC=O)=O
-21208	mol	OC#CC#CC(O)=O
-21209	mol	OCC(C)(C)C(O)=O
-21210	mol	OCC(C)CC(O)=O
-21211	mol	OCC(CC)C(O)=O
-21212	mol	OCCC(C)C(O)=O
-21213	mol	OCCCCC(O)=O
-21214	mol	OC(CCC(C(O)=O)c1ccccc1)=O
-21215	mol	OCC(CCC(O)=O)C=C
-21216	mol	OC(CCCC(O)=O)C=O
-21217	mol	OCC(CCC(O)=O)C(ON)=O
-21218	mol	OCCC(C)(C(O)=O)C(O)=O
-21219	mol	OC(CCCC(O)=O)=O
-21220	mol	OC(C)(CCC(O)=O)OC=O
-21221	mol	OC#CC=CF
-21222	mol	OC(C)(C)C(F)C=C
-21223	mol	OCC(C)C(F)(F)C
-21224	mol	OC=C=CCl
-21225	mol	OC=C=C(Cl)Br
-21226	mol	OC=C=C(Cl)c1cocc1
-21227	mol	OCC(CCl)CN(=O)=O
-21228	mol	OCCCCN
-21229	mol	OC=C=CC#N
-21230	mol	OC(C=C)=CN
-21231	mol	OC(C)(C)C#N
-21232	mol	OCC(C)CN
-21233	mol	OCC(C)C#N
-21234	mol	OC(C)CC(N)C
-21235	mol	OCC(C)C(N)C
-21236	mol	OCC(C)(CN)c1ccccc1
-21237	mol	OCCCC(N)CC
-21238	mol	OCCC(C)N(CC)C=C
-21239	mol	OCCCCN(CC)CC
-21240	mol	OCCCCN(CC)CCCC
-21241	mol	OC(C)CCN(C(C)CC)N
-21242	mol	OCC(CC)N(C)C(O)=O
-21243	mol	OCCC(C)N(C)C(O)=O
-21244	mol	OC(C)(C)CNC=O
-21245	mol	OCC(C)CNC=O
-21246	mol	OC(CC(C)NC=O)=O
-21247	mol	OCC(C)CNC(O)=O
-21248	mol	OC(C)C(C)N(O)C(O)=O
-21249	mol	OCC(CC)N(O)N
-21250	mol	O=CC=C=CN(=O)=O
-21251	mol	OC(C#C)=CN(=O)=O
-21252	mol	OCC(C)CN(=O)=O
-21253	mol	OC(CC(C)N(=O)=O)=O
-21254	mol	OCCCCO
-21255	mol	O=CC=CC=O
-21256	mol	O=CC(=C)C=O
-21257	mol	O=CC#CC=O
-21258	mol	O=CCCC=O
-21259	mol	OC=C(C)C=O
-21260	mol	OC=CC=CO
-21261	mol	OC(C)=CC=O
-21262	mol	OC(C)(C)C=O
-21263	mol	OC(C)C#CO
-21264	mol	OC(C)CC=O
-21265	mol	OC(C#C)C=O
-21266	mol	OC(CC=C)=O
-21267	mol	OC(CC#C)=O
-21268	mol	OCC(C)CO
-21269	mol	OCC(C)C=O
-21270	mol	OCC(CC)=O
-21271	mol	OCCC(C)=O
-21272	mol	OCCCC=O
-21273	mol	OC(C)CC(O)C
-21274	mol	OCC(C)C(O)C
-21275	mol	OCCCC(O)C
-21276	mol	O=CCCC(=O)c1ccccc1
-21277	mol	OC(C=C)C(O)c1ccccc1
-21278	mol	OC(C)C(C=O)c1ccccc1
-21279	mol	OC(CCC=O)c1ccccc1
-21280	mol	OCC(C)(C=O)c1ccccc1
-21281	mol	OCC(CC=O)c1ccccc1
-21282	mol	OCCCCOC1CCCCC1
-21283	mol	O=CCCCOC1CCCCC1
-21284	mol	OC(C)CCOC1CCCCC1
-21285	mol	OC(C)C(C)OC1CCCCC1
-21286	mol	OCC(CC)OC1CCCCC1
-21287	mol	OCCC(C)OC1CCCCC1
-21288	mol	OCCCC(O)C1CCCCC1
-21289	mol	OCCCC(O)C1CCOC1
-21290	mol	OCCC(CO)c1occc1
-21291	mol	O=CC=C(C=O)C=C
-21292	mol	O=CC#CC(=O)C=C
-21293	mol	O=CC#CC(=O)C#C
-21294	mol	O=CCC(C=O)C=C
-21295	mol	OC=CC=C(O)C=C
-21296	mol	OC=CC(=CO)C=C
-21297	mol	OC(=C)C=C(O)C=C
-21298	mol	OC(C=C)=C(O)C=C
-21299	mol	OC(C)CC(O)C=C
-21300	mol	OCC(C)(C=O)C=C
-21301	mol	OCC(C)(CO)CC
-21302	mol	OCC(C)C(O)CC
-21303	mol	OCC(CC)OC#C
-21304	mol	OCCC(CO)CC
-21305	mol	OCCC(CO)C=C
-21306	mol	OCCC#COC#C
-21307	mol	OCCCC(O)CC
-21308	mol	OC(C)=C(C=O)C=C=C
-21309	mol	OC(C)(C)C(O)(C)C=C
-21310	mol	OCC(CC=O)CC=C
-21311	mol	OCC(CC)OC(C)C
-21312	mol	OCCCC(O)(C)C=C
-21313	mol	OCCCCOC(C)C
-21314	mol	OCCCCOCCCC
-21315	mol	O=CC#CC(=O)C#CC=C
-21316	mol	OCC(C)COC(C)CC
-21317	mol	OCC(CC(O)C=C)C=C
-21318	mol	OCCC(C(O)C=C)C=C
-21319	mol	OCCC(C)OC(C)CC
-21320	mol	OCCCCOC(C)CC
-21321	mol	OCC(CC)OC(CC)CC
-21322	mol	OCCC(C(O)CC(C)C)C=C
-21323	mol	OC(C)C(C)OC(C(C)CC)=O
-21324	mol	OCC(C)(C)OC(C(C)(C)C)=O
-21325	mol	OCCCC(O)(C)C(C)=O
-21326	mol	OC(C=C)=C(O)C=CN
-21327	mol	OC(C)C(C(O)C)C(O)=O
-21328	mol	OC(CCC=O)CC(O)=O
-21329	mol	OCC(CC=O)CC(O)=O
-21330	mol	O=CC=C(C=O)C=O
-21331	mol	O=CCC(C=O)C=O
-21332	mol	OC(C(C)C=O)C=O
-21333	mol	OC(C)=C(C=O)C=O
-21334	mol	OC(C)(C)COC=O
-21335	mol	OC(C)(CC=O)C=O
-21336	mol	OC(C)C(C)OC=O
-21337	mol	OC(C)CCOC=O
-21338	mol	OC(CCC=O)C=O
-21339	mol	OCC(C)(C=O)C=O
-21340	mol	OCC(C)C(=O)C=O
-21341	mol	OCC(C)COC=O
-21342	mol	OCC(CC)OC=O
-21343	mol	OCCC(C)OC=O
-21344	mol	OCCCC(O)C=O
-21345	mol	OCCCCOC=O
-21346	mol	OCC(C)C(OC=O)C=C
-21347	mol	OCC(CCOC=O)C=C
-21348	mol	OC(C)C(C=O)(C=O)Cc1ccccc1
-21349	mol	OCC(CC(OC=O)C=C)C=C
-21350	mol	O=CC=C(C=O)C(=O)C=O
-21351	mol	O=CC#CC(=O)C(=O)C=O
-21352	mol	O=CCC(C=O)C(=O)C=O
-21353	mol	O=CCCC(OC=O)C=O
-21354	mol	OC(C)C(COC=O)C=O
-21355	mol	OC(CCCOC=O)C=O
-21356	mol	OCC(CC=O)C(=O)C=O
-21357	mol	OCCC(C)(OC=O)C=O
-21358	mol	OC(C)CC(OC=O)C(O)=O
-21359	mol	OC(CCC(OC=O)C=O)=O
-21360	mol	OCCC(C)OC(=O)N
-21361	mol	OC(C)(C)C(OC=O)=O
-21362	mol	OC(C)C(C)OC(O)=O
-21363	mol	OC(C)CCOC(O)=O
-21364	mol	OCC(C)C(=O)C(O)=O
-21365	mol	OCC(CC)OC(O)=O
-21366	mol	OCCCC(=O)C(O)=O
-21367	mol	OCCCCOC(O)=O
-21368	mol	OCC(CCOC=O)OC=O
-21369	mol	OCCCC(OC=O)OC=O
-21370	mol	OC(C)(C)C(=O)N
-21371	mol	OCC(C)C(=O)N
-21372	mol	OCCCC(=O)N
-21373	mol	OC(C)(C=C)ONC=O
-21374	mol	OC=C(C)C(O)=O
-21375	mol	OC(C)(C)C(O)=O
-21376	mol	OC(C)CC(O)=O
-21377	mol	OC(CCC=O)=O
-21378	mol	OCC(C)C(O)=O
-21379	mol	OCCCC(O)O
-21380	mol	OCCCC(O)=O
-21381	mol	OC(C)CC(O)(O)C
-21382	mol	OCC(C)(C(O)=O)c1ccccc1
-21383	mol	OC(CC(C(O)=O)c1ccccc1)C(O)=O
-21384	mol	OC(C)=C(C(O)=O)C1=CCCO1
-21385	mol	OC(C(C)C(O)=O)C=C
-21386	mol	OC(C)(CC(O)=O)C=C
-21387	mol	OC(C)CC(O)(O)C(C)C
-21388	mol	OCC(C)(C(O)=O)C(C(C)C)=O
-21389	mol	OC(CCC(O)=O)CC(ON)=O
-21390	mol	OCC(C)(CO)OC=O
-21391	mol	OCC(C)C(O)OC=O
-21392	mol	OCC(CC(O)=O)C=O
-21393	mol	OC(C)C(C(O)=O)C(O)=O
-21394	mol	OCCCCOOC(O)=O
-21395	mol	OC(CCC(O)=O)=O
-21396	mol	OC=C=C(F)C1CCCO1
-21397	mol	OC=C=C(F)C1=CCCO1
-21398	mol	OC(C)C(F)Cc1ccccc1
-21399	mol	OCCC(F)(CC)CC
-21400	mol	OCCC(F)CF
-21401	mol	OCCC(F)=C(O)C=C
-21402	mol	OC(C)C(F)COC=O
-21403	mol	OC(C)C(F)(F)C(F)(F)F
-21404	mol	OCCC(F)(F)C(F)(F)F
-21405	mol	OCCC(F)N
-21406	mol	OC#CCl
-21407	mol	OCC(Cl)CC
-21408	mol	OC(C)(Cl)CC#C
-21409	mol	OC(C)(Cl)CC=C=C
-21410	mol	OCCCN
-21411	mol	O=CC=CN
-21412	mol	O=CC(=C)N
-21413	mol	OC=C=CN
-21414	mol	OC=CC#N
-21415	mol	OC(=C)C#N
-21416	mol	OC#CC#N
-21417	mol	OCCCNC
-21418	mol	OCCC(N)C
-21419	mol	OCC(CN)Cc1ccccc1
-21420	mol	OCCC(N)Cc1ccccc1
-21421	mol	OCCC(N)CC1CCCCC1
-21422	mol	OCCC(N)CCC
-21423	mol	OC(C(C#N)(C#C)C#C)=O
-21424	mol	OC(C(C#N)C#C)=O
-21425	mol	OCC(CN)CC(O)=O
-21426	mol	OCC(CN)CN
-21427	mol	OCC(CN)C(N)C(O)=O
-21428	mol	O=CC=CNC=O
-21429	mol	OCC(C)NC=O
-21430	mol	OCCCNC=O
-21431	mol	OCC(CN)(C=O)C=C
-21432	mol	OCC(CN)COC=O
-21433	mol	OCC(CN)C(O)N
-21434	mol	OCCC(N)C(=O)N
-21435	mol	OC(CC(N)C(=O)N)=O
-21436	mol	OC(C)CNN
-21437	mol	OCC(C(N)N)CC(O)=O
-21438	mol	OC(CC(N)(N)C(=O)N)=O
-21439	mol	OCCC(NN)C(O)=O
-21440	mol	OCC(CN)OC=O
-21441	mol	O=CC=CN(=O)=O
-21442	mol	OC=C=CN(=O)=O
-21443	mol	OCC(C)N(=O)=O
-21444	mol	OCCCO
-21445	mol	O=CCC=O
-21446	mol	OC=C=CO
-21447	mol	OC=CC=O
-21448	mol	OC(=C)C=O
-21449	mol	OC(C)C=O
-21450	mol	OC#CC=O
-21451	mol	OCCC=O
-21452	mol	OC(C(CO1)CC1OC=O)=O
-21453	mol	O=Cc(co2)cc2C1CC=CO1
-21454	mol	O=Cc(co2)cc2C1CCOC1
-21455	mol	OC=C=C(O)C
-21456	mol	OC=CC(O)=C
-21457	mol	OC(C)=C(O)C
-21458	mol	OC(C)C(O)C
-21459	mol	OCCC(O)C
-21460	mol	OC#CC(OC1)CC1C#C
-21461	mol	OC(C)=C(O)c1ccccc1
-21462	mol	OC(C)(C=O)c1ccccc1
-21463	mol	OC(C)C(O)c1ccccc1
-21464	mol	OC(CC=O)c1ccccc1
-21465	mol	OCC(C=O)c1ccccc1
-21466	mol	OCC(C)Oc1ccccc1
-21467	mol	OCCC(=O)c1ccccc1
-21468	mol	OCCC(O)c1ccccc1
-21469	mol	OC(C)COC1CCCCC1
-21470	mol	OC(C)(C)OC1CCCCC1
-21471	mol	OCC(C)OC1CCCCC1
-21472	mol	OC(C)=C(O)C1CC=CO1
-21473	mol	OC(C)=C(O)C1CCOC1
-21474	mol	O=CC#COc1cocc1
-21475	mol	OC(C)(C=O)c1cocc1
-21476	mol	OCC(C=O)c1cocc1
-21477	mol	O=CC(C=O)C1=COCC1
-21478	mol	O=CC#COc1occc1
-21479	mol	O=CC(C=O)C=C
-21480	mol	O=CCC(=O)C=C
-21481	mol	OC=C=C(O)C=C
-21482	mol	OC=CC(=O)C=C
-21483	mol	OC(=C)C(=O)C=C
-21484	mol	OC(C)C(=O)C=C
-21485	mol	OC(C)C(O)(C)C
-21486	mol	OC#CC(=O)C=C
-21487	mol	OC#CC(=O)C#C
-21488	mol	OCC(C=O)C=C
-21489	mol	OCCC(=O)C=C
-21490	mol	OC(CC=O)Cc1ccccc1
-21491	mol	OC(C)C(O)CC1CCCCC1
-21492	mol	OCCC(O)(C)c1cocc1
-21493	mol	OCCC(O)Cc1occc1
-21494	mol	OCCCOCCC
-21495	mol	O=CCC(=O)C(C)=C
-21496	mol	OC=CC(O)=CC=C
-21497	mol	OC(C)COC(C)C
-21498	mol	OCC(C)OC(C)C
-21499	mol	OCCC(O)CCC
-21500	mol	OCCC(O)CC=C
-21501	mol	OCC(C=O)(C=C)c1cocc1
-21502	mol	OC(=C)C(O)=C(C)C=C
-21503	mol	OC(CC=O)CC=C=C
-21504	mol	OC#CC(=O)C#CC#C
-21505	mol	OCC(C)OC(C)CC
-21506	mol	OCC(CO)(C#C)C#C
-21507	mol	OCCC(O)(C)CCC
-21508	mol	OCCC(O)(C)C(C)C
-21509	mol	OCCC(O)CC(C)C
-21510	mol	OCCCOC(C)CC
-21511	mol	OC(CC(O)C=C)CC=C
-21512	mol	OC(CC=O)CC(CC)c1ccccc1
-21513	mol	OCCC(OC(C)CC)CC=C
-21514	mol	OCCC(OC(C)C)C(CC)=O
-21515	mol	OC(C)COC(C(C)CC)=O
-21516	mol	OCCCOCC(CC)C(O)=O
-21517	mol	OC(CC(OC#C)C#C)=O
-21518	mol	OC#CC(OC#CC#C)=O
-21519	mol	OC(C)COC(CC)=O
-21520	mol	OCC(C)(OC#C)C=O
-21521	mol	OCC(C=O)CCC(=O)C(O)=O
-21522	mol	OC(C)C(O)CC=O
-21523	mol	OC(CC=O)CC=O
-21524	mol	OC(CCOC#C)=O
-21525	mol	O=CC(C=O)CC(=O)C=O
-21526	mol	OC(CC=O)(CC=O)C=O
-21527	mol	OC(C(C=O)C#COC=O)=O
-21528	mol	OC(C(C=O)CC(=O)N)=O
-21529	mol	OC(CC=O)CC(O)=O
-21530	mol	OCC(C(O)Cl)C=C
-21531	mol	O=CC(C=O)C=O
-21532	mol	O=CCC(=O)C=O
-21533	mol	OC=C(C=O)C=O
-21534	mol	OC(C)=COC=O
-21535	mol	OC(C)(C=O)C=O
-21536	mol	OC(C)(C)OC=O
-21537	mol	OC(C)COC=O
-21538	mol	OC(CC=O)C=O
-21539	mol	OC#CC(=O)C=O
-21540	mol	OCC(C=O)C=O
-21541	mol	OCC(C)OC=O
-21542	mol	OCCC(=O)C=O
-21543	mol	OCCC(O)C=O
-21544	mol	OCCCOC=O
-21545	mol	O=CC#COC(=O)C1=COCC1
-21546	mol	O=CC#COC(=O)C=C
-21547	mol	O=CC#COC(=O)C#C
-21548	mol	OC(C)(COC=O)C=C
-21549	mol	OC(CC(OC=O)C#C)=O
-21550	mol	OC#CC(OC(=O)C=C)=O
-21551	mol	OCC(COC=O)CC(O)=O
-21552	mol	O=CC(C=O)C(=O)C=O
-21553	mol	O=CC#COC(=O)C=O
-21554	mol	OC(CC=O)(C=O)C=O
-21555	mol	OCC(C=O)C(=O)C=O
-21556	mol	OCC(C)(OC=O)C=O
-21557	mol	OC(C)C(O)(C=O)C(O)=O
-21558	mol	OC(C)COC(=O)C(O)=O
-21559	mol	OC=C(C=O)C(O)=O
-21560	mol	OC(C)C(=O)C(O)=O
-21561	mol	OC(C)C(O)C(O)=O
-21562	mol	OC(C)C(OC=O)=O
-21563	mol	OC(CC=O)C(O)=O
-21564	mol	OC(CCOC=O)=O
-21565	mol	OCC(C=O)C(O)=O
-21566	mol	OCCC(=O)C(O)=O
-21567	mol	OC(C)(C(O)C(O)=O)C=O
-21568	mol	OC(C(C=O)C(O)=O)=O
-21569	mol	OC(CC(OC=O)=O)=O
-21570	mol	OC(C)C(=O)N
-21571	mol	O=CCC(=O)NC
-21572	mol	O=CCC(=O)N(N)N
-21573	mol	OC=CC(O)=O
-21574	mol	OC(C)C(O)=O
-21575	mol	OC(CC=O)=O
-21576	mol	OC#CC(O)=O
-21577	mol	OCCC(O)O
-21578	mol	OCCC(O)=O
-21579	mol	OC(C)(C(O)=O)c1ccccc1
-21580	mol	OC(CC(O)=O)c1ccccc1
-21581	mol	OCC(C(O)=O)c1ccccc1
-21582	mol	OCC(C(O)=O)c1cocc1
-21583	mol	OC(CC(O)=O)C=C
-21584	mol	OC(CC(O)=O)C#C
-21585	mol	OCC(C(O)=O)Cc1cocc1
-21586	mol	OC(CC(O)=O)CC(O)=O
-21587	mol	OC(C)C(O)OC=O
-21588	mol	OC(CC(O)=O)C=O
-21589	mol	OCCC(O)OC=O
-21590	mol	OC(CC(O)=O)C(O)=O
-21591	mol	OC=C(C(O)=O)NC=O
-21592	mol	OC(CC(O)=O)=O
-21593	mol	OC=C=C[SiH3]
-21594	mol	OCC(C)[SiH3]
-21595	mol	OCC(F)c1ccccc1O
-21596	mol	OCC(F)CC
-21597	mol	OCC(F)(CC)OC=O
-21598	mol	OCC(F)F
-21599	mol	OCC(F)(F)C=C
-21600	mol	OCC(F)(F)C(F)(F)F
-21601	mol	OCC(F)(F)F
-21602	mol	OCC(F)(F)O
-21603	mol	OCC(F)O
-21604	mol	OCC(F)(O)C=C
-21605	mol	OCC(F)(O)C(O)=O
-21606	mol	OC=C(F)[SiH3]
-21607	mol	OCCl
-21608	mol	OC(Cl)=C=C
-21609	mol	OC(Cl)=Cc1ccccc1
-21610	mol	OC(Cl)=Cc1ccccc1O
-21611	mol	OC(Cl)=Cc(ccc1)cc1O
-21612	mol	OC(Cl)C(C)(C=O)C=C
-21613	mol	OC(Cl)C(O)(C)C=C
-21614	mol	OC(Cl)=O
-21615	mol	OCCN
-21616	mol	OC(=C)N
-21617	mol	OCC#N
-21618	mol	OCC(N)C
-21619	mol	O=CCNc1ccccc1
-21620	mol	O=CCN(C1CCCCCCC1)C(C)=O
-21621	mol	OC(C)N(C)C
-21622	mol	OC(C#N)=C=C
-21623	mol	OCC(N)CC
-21624	mol	OCC(N)C=C
-21625	mol	O=CC(N)=Cc1ccccc1
-21626	mol	O=CCNC(c1ccccc1)=O
-21627	mol	OCC(N)C(C)c1ccncc1
-21628	mol	OC(C#N)=C=CC=C
-21629	mol	OC(C#N)=C=C(Cl)C#N
-21630	mol	OCC(N)(C)CN
-21631	mol	O=CCNC(C)=O
-21632	mol	O=CC(N)=CN
-21633	mol	OCC(N)CN
-21634	mol	OCC(N)(CN)CC(O)=O
-21635	mol	OCC(N)(CN)CN
-21636	mol	OC(C)NC=O
-21637	mol	OC(C#N)C=O
-21638	mol	OCC(N)C=O
-21639	mol	OCCNC=O
-21640	mol	O=CCNC(=O)N
-21641	mol	O=CCNC(O)=O
-21642	mol	OC=C(N)C(O)=O
-21643	mol	OCC(N)C(O)=O
-21644	mol	OCC[NH](O)=O
-21645	mol	OCC(N)NC=C
-21646	mol	O=CCN(N)C=O
-21647	mol	OC(C)(NN)NC(c1ccccc1)=O
-21648	mol	OC(C)(NN)NC=O
-21649	mol	OC(C)(NN)N(C=O)C(c1ccccc1)=O
-21650	mol	O=CC(NN)N(N)C(=O)C=O
-21651	mol	O=CCN(O)C=O
-21652	mol	OCC(N)OC=O
-21653	mol	OCCO
-21654	mol	O=CC=O
-21655	mol	OC=CO
-21656	mol	OC(C)=O
-21657	mol	OC#CO
-21658	mol	OCC=O
-21659	mol	OC=C(O)Br
-21660	mol	OC=C(O)C
-21661	mol	OCC(O)C
-21662	mol	OC(C(OC1)CC1CC=C)=O
-21663	mol	OC(C(OC1)CC1OC=O)=O
-21664	mol	O=CCOc1ccccc1
-21665	mol	OC=COc1ccccc1
-21666	mol	OC=C(O)c1ccccc1
-21667	mol	OC(=C)Oc1ccccc1
-21668	mol	OC(C=O)c1ccccc1
-21669	mol	OC(C)Oc1ccccc1
-21670	mol	OCC(=O)c1ccccc1
-21671	mol	OCC(O)c1ccccc1
-21672	mol	OCCOC1CCCCC1
-21673	mol	O=CCOC1CCCCC1
-21674	mol	OC=COC1CCCCC1
-21675	mol	OC=C(O)C1CCCCC1
-21676	mol	OC(C)OC1CCCCC1
-21677	mol	OCC(O)C1CCCCC1
-21678	mol	O=CC(OC1CCCCC1)C=O
-21679	mol	O=CC(Oc1ccccc1)=O
-21680	mol	OC(C=O)c1ccccc1O
-21681	mol	O=CC(OC1CCCCC1)=O
-21682	mol	OC=C(O)C1CCCO1
-21683	mol	OC=C(O)C1CC=CO1
-21684	mol	O=CC(OC1CC=CO1)=O
-21685	mol	O=CC(OC1CCCO1)=O
-21686	mol	OC(COC1CC=CO1)=O
-21687	mol	OC=C(O)C1CCOC1
-21688	mol	O=CC(OC1CCOC1)=O
-21689	mol	OC=C(O)c1cocc1
-21690	mol	OC#COc1cocc1
-21691	mol	OCC(O)c1cocc1
-21692	mol	OC=C(O)C1=COCC1
-21693	mol	OCC(=O)C1=COCC1
-21694	mol	OC=C(O)c1occc1
-21695	mol	OCc(oc1O)c(C)c1O
-21696	mol	O=Cc(oc2)cc2C1CCCO1
-21697	mol	O=C(C(OC3)CC3C2CCCCC2)c1cocc1
-21698	mol	OCCOCC
-21699	mol	O=CC(=O)C=C
-21700	mol	OC=C(O)C=C
-21701	mol	OC=C(O)C#C
-21702	mol	OC=COC=C
-21703	mol	OC=COC#C
-21704	mol	OC(C=O)C=C
-21705	mol	OC#COC=C
-21706	mol	OC#COC#C
-21707	mol	OCC(O)CC
-21708	mol	OCC(O)(C)C
-21709	mol	OCC(O)C=C
-21710	mol	OCCOC#C
-21711	mol	OC(C=O)Cc1ccccc1
-21712	mol	OCC(O)(C)c1ccccc1
-21713	mol	OCC(O)(C)C1CCCCC1
-21714	mol	O=CC(=O)C(c1ccccc1)=O
-21715	mol	O=CC(=O)C(C1CCCCC1)=O
-21716	mol	OCCOC(C1CCCCC1)=O
-21717	mol	OCC(O)(C)C1CCCO1
-21718	mol	OCC(O)(CC1CC=CO1)C=C
-21719	mol	O=CC(=O)C(C1CC=CO1)=O
-21720	mol	O=CC(=O)C(C1CCCO1)=O
-21721	mol	OC#COC(C1CCCO1)=O
-21722	mol	OCCOCC1CC(=O)C=C1C
-21723	mol	OCC(O)Cc1cocc1
-21724	mol	OCC(O)(C)c1cocc1
-21725	mol	OC(C=O)=C(c1cocc1)C=C
-21726	mol	O=CC(=O)C(c1cocc1)=O
-21727	mol	OCC(O)Cc1occc1
-21728	mol	OCCOCCC
-21729	mol	OC(C=O)=CC=C
-21730	mol	OC(C=O)=CC#C
-21731	mol	OC(C)OC(C)C
-21732	mol	OCC(=O)C=C=C
-21733	mol	OCC(O)(C)CC
-21734	mol	OCC(O)(C)C=C
-21735	mol	OCC(O)C(C)C
-21736	mol	OC(C=O)C(C)c1ccccc1
-21737	mol	OCC(O)CCc1ccccc1
-21738	mol	OCC(O)(CC)c1ccccc1
-21739	mol	OCC(O)(CC)C1CCCCC1
-21740	mol	O=CC(=O)C#CC1CCOC1
-21741	mol	O=CC(=O)C#Cc1cocc1
-21742	mol	OCC(O)(C=C)c1cocc1
-21743	mol	O=CC(OC=Cc1cocc1)=O
-21744	mol	OCC(O)CCc1occc1
-21745	mol	OCC(O)C(C)c1occc1
-21746	mol	OC(C=O)=C=CC=C
-21747	mol	OC(C=O)=C(C)C=C
-21748	mol	OC(C=O)=CC=C=C
-21749	mol	OC#COC#CC=C
-21750	mol	OCC(O)(CC)CC
-21751	mol	OCC(O)C(C)C=C
-21752	mol	OCC(O)CCC=C
-21753	mol	OCC(O)(C(C)C)c1cocc1
-21754	mol	OC(C=O)=C=CC=C=C
-21755	mol	OC(C(O)(C)C=C)C=C
-21756	mol	OCC(O)CC(C)CC
-21757	mol	OCC(OC(C)C)C(C)C
-21758	mol	OC(C(O)(CC=C)C=C)C=C
-21759	mol	OCCOC(CCCC)=O
-21760	mol	OC(C(=O)C=C)=C(N)C=O
-21761	mol	OC(C(O)C=C)C=O
-21762	mol	OC(C)OC(CC)=O
-21763	mol	OCC(O)(CC)C=O
-21764	mol	OCCOC(CC)=O
-21765	mol	OCC(O)C#CC(=O)C#C
-21766	mol	OCC(O)CC(C=O)C=C
-21767	mol	OCC(O)(C(C)C)OC=O
-21768	mol	OCC(O)C(C)C(O)=O
-21769	mol	OC(C=O)=CC=O
-21770	mol	OC#COC(C)=O
-21771	mol	OCC(O)(C)C=O
-21772	mol	OCC(O)CC=O
-21773	mol	OCC(OC#C)=O
-21774	mol	OCC(O)(CC(O)C=C)C=C
-21775	mol	OC(C=O)=C(C=O)C=O
-21776	mol	OCC(O)(C)C(O)=O
-21777	mol	OCC(O)CC(O)=O
-21778	mol	OCC(O)(C(F)(F)F)C=C
-21779	mol	OC(C=O)=C(N)C=O
-21780	mol	O=CC(=O)C=O
-21781	mol	OC=C(O)C=O
-21782	mol	OC=COC=O
-21783	mol	OC(C=O)C=O
-21784	mol	OC(C)OC=O
-21785	mol	OC#COC=O
-21786	mol	OCC(=O)C=O
-21787	mol	OCC(O)CO
-21788	mol	OCC(O)C=O
-21789	mol	OCCOC=O
-21790	mol	OC(C=O)(C=O)c1ccccc1
-21791	mol	OCC(O)C(O)c1ccccc1
-21792	mol	OCC(O)C(O)C1CC=CO1
-21793	mol	OCC(O)(CO)C1CCOC1
-21794	mol	OCC(OC=O)c1occc1
-21795	mol	OC(C=O)(C=O)C=C
-21796	mol	OC(C)OC(=O)C=C
-21797	mol	OC#COC(=O)C=C
-21798	mol	OC#COC(=O)C#C
-21799	mol	OCC(OC=O)C=C
-21800	mol	OCC(O)C(O)(C)c1cocc1
-21801	mol	OC(COC=O)CCC=C
-21802	mol	OCC(O)COC(C)CC
-21803	mol	OC(COC=O)C(CC=C)C=C
-21804	mol	OCC(OC=O)C(CC=C)C=C
-21805	mol	OC#COC(=O)C#COC=O
-21806	mol	O=CC(=O)C(=O)C=O
-21807	mol	OC(C=O)C(=O)C=O
-21808	mol	OC(C)(OC=O)C=O
-21809	mol	OC#COC(=O)C=O
-21810	mol	OCC(O)(C)OC=O
-21811	mol	OCC(OC=O)C=O
-21812	mol	OC(C=O)(C=O)C(O)=O
-21813	mol	OC(C(OC=O)C=O)=O
-21814	mol	OC#COC(OC=O)=O
-21815	mol	OCC(OC=O)(C(O)=O)C(O)=O
-21816	mol	OC=C(O)C(O)=O
-21817	mol	OC=COC(O)=O
-21818	mol	OC(C=O)C(O)=O
-21819	mol	OC(C)OC(O)=O
-21820	mol	OC(COC=O)=O
-21821	mol	OC#COC(O)=O
-21822	mol	OCC(=O)C(O)=O
-21823	mol	OCC(O)C(O)=O
-21824	mol	OC=C(OC=O)OC=O
-21825	mol	OC(C)(OC=O)OC=O
-21826	mol	OCC(O)C(O)OC=O
-21827	mol	OCC(O)(C(O)(O)O)C(O)=O
-21828	mol	O=CC(=O)N
-21829	mol	OCC(=O)N
-21830	mol	O=CC(=O)NC1CCCCCCC1
-21831	mol	OC=CONC=O
-21832	mol	OC=C(ONC=O)C=C
-21833	mol	O=CC(=O)NC(=O)N
-21834	mol	OCC(O)(NN)N(CC)C(CC)=O
-21835	mol	OC=C(O)O
-21836	mol	OCC(O)O
-21837	mol	OCC(O)=O
-21838	mol	OCC(O)(O)C
-21839	mol	OC(C(O)=O)c1ccccc1
-21840	mol	O=CC(OOC1=COCC1)=O
-21841	mol	OCC(O)OC(C)C
-21842	mol	OC(C(O)(O)C=C)C=C
-21843	mol	OC=C(O)OC=O
-21844	mol	OC#COOC=O
-21845	mol	OCC(O)OC=O
-21846	mol	OC(C(O)=O)C(O)=O
-21847	mol	OC#C[SiH2]C(O)=O
-21848	mol	OC=C([SiH3])C1CC=CO1
-21849	mol	OC=C([SiH3])C=C=C
-21850	mol	OC=C([SiH3])C#CC=C
-21851	mol	OCN
-21852	mol	O=CN
-21853	mol	OC#N
-21854	mol	OC(N)C
-21855	mol	O=CNc1ccccc1
-21856	mol	OC(N)c1ccccc1
-21857	mol	O=CNC1CCCCC1
-21858	mol	OC(N)C1CCCCC1
-21859	mol	OC(N)(C1CCCCC1)C=O
-21860	mol	OC(N)(C1CCCCC1)C(=O)N
-21861	mol	O=CN(c1ccccc1)N
-21862	mol	O=CN(C1CCCCC1)N
-21863	mol	O=CN(c1ccccc1)NC(=O)N
-21864	mol	O=CNC1CCCCCCC1
-21865	mol	OC(N)C1CCCCCCC1
-21866	mol	OC(N)(C1CCCCCCC1)NC(=O)N
-21867	mol	Oc(nc1C)cc(F)c1Cl
-21868	mol	O=CNC=C
-21869	mol	OC(N)(C)C
-21870	mol	O=CNCc1ccccc1
-21871	mol	O=CNCC1CCCCC1
-21872	mol	O=CNC(C1CCCCC1)=O
-21873	mol	OC(N)=C=C(Br)N(=O)=O
-21874	mol	OC(N)C(C)C
-21875	mol	O=CNC=Cc1ccccc1
-21876	mol	OCN(CC)CC
-21877	mol	OCN(CC)C=C
-21878	mol	O=CNCCCC1CCCCC1
-21879	mol	OC(N)=C=CC#N
-21880	mol	OC(N)=C=C(C=O)N(=O)=O
-21881	mol	OC(N)(C)C(N)C=C
-21882	mol	O=C(N)CC(=O)N(N)C=O
-21883	mol	OC(N)(CC(O)=O)C=C
-21884	mol	OC(N)(C(N)C=O)C(N)(N)C=O
-21885	mol	O=CNC=O
-21886	mol	O=CNC(Oc1ccccc1)=O
-21887	mol	OC(N)=C(O)C=C
-21888	mol	OC(N)C(O)(C)C=C
-21889	mol	O=CNC(=O)C=O
-21890	mol	O=CN(C=O)C(=O)N
-21891	mol	O=CNC(=O)N
-21892	mol	OC(N)C(=O)N
-21893	mol	O=CNC(=O)Nc1ccccc1
-21894	mol	O=CNC(=O)NC1CCCCC1
-21895	mol	O=CN(C=O)NC(=O)N
-21896	mol	OC(N)(C(=O)N)NC(=O)N
-21897	mol	OC(N)C(O)=O
-21898	mol	OC[NH](O)=O
-21899	mol	O=CNN
-21900	mol	O=C(N)N
-21901	mol	OC(N)N
-21902	mol	O=CNNc1ccccc1
-21903	mol	O=CNNC1CCCCC1
-21904	mol	O=C(N)NC1CCCCC1
-21905	mol	OC(N)(N)C1CCCCCCC1
-21906	mol	O=C(N)N(C2CCCCC2)c1ccccc1
-21907	mol	O=C(N)NCc1ccccc1
-21908	mol	O=CN(N)C(C1CCCCC1)=O
-21909	mol	O=CNN(C=C)C=C
-21910	mol	O=CN(N)C=O
-21911	mol	O=CNNC=O
-21912	mol	O=CNNC(=O)C=C
-21913	mol	O=C(N)NC(=O)N
-21914	mol	O=CN(N)C(=O)N
-21915	mol	O=CNNC(=O)N
-21916	mol	OC(N)(N)C(=O)N
-21917	mol	OC(N)NC(=O)N
-21918	mol	O=CNNN
-21919	mol	O=CN(N)N
-21920	mol	OC(N)(N)N
-21921	mol	OC(N)(N)NC=O
-21922	mol	O=C(N)N(N)N
-21923	mol	O=CNN(N)N
-21924	mol	O=CNNN(N)C=O
-21925	mol	O=CNOc1ccccc1
-21926	mol	O=CNOC1CCCCC1
-21927	mol	O=CN(Oc1ccccc1)N
-21928	mol	OCN(O)CC
-21929	mol	O=CNOC(=C)C=C
-21930	mol	OCN(O)C(C)CC
-21931	mol	O=CNOC(=O)NC(O)=O
-21932	mol	O=CNOC(=O)NN
-21933	mol	O=CNONC1CCCCC1
-21934	mol	O=C(N)ON(C1CCCCC1)C(=O)N
-21935	mol	O=CNONC1CCCCCCC1
-21936	mol	O=CNON(N)C=O
-21937	mol	O=CN(=O)=O
-21938	mol	OC(N(=O)=O)=C=C(C=C)C=C=C
-21939	mol	OCO
-21940	mol	OC=O
-21941	mol	OCOC
-21942	mol	OC(O)C
-21943	mol	OC(O)=C
-21944	mol	Oc(oc1Br)c(C=C=C)c1Br
-21945	mol	OC(OC1)=CC1C=C
-21946	mol	Oc(oc1C)cc1C=C
-21947	mol	Oc(oc1ccc2)cc1c2Br
-21948	mol	O=COc1ccc(Br)cc1
-21949	mol	O=COc1ccc(Br)cc1[SiH3]
-21950	mol	OC(OC1C=C)=CC1
-21951	mol	OCOc1ccccc1
-21952	mol	O=COc1ccccc1
-21953	mol	OC(=O)c1ccccc1
-21954	mol	OC(O)c1ccccc1
-21955	mol	O=COC1CCCCC1
-21956	mol	OC(O)C1CCCCC1
-21957	mol	OC(=O)c1ccccc1Br
-21958	mol	O=COc1ccccc1C
-21959	mol	OC(=O)c1ccccc1C
-21960	mol	OC(OC1CCCCC1)=C
-21961	mol	O=COc1ccccc1C=C
-21962	mol	OC(=O)c1ccccc1C=C
-21963	mol	OC(=O)c1ccccc1C#C
-21964	mol	O=COC1CC(CCC1)C=C
-21965	mol	O=COC1CCC(CC1)C=C
-21966	mol	O=COC1CCCCC1C=C
-21967	mol	O=COc1ccccc1C=C=C
-21968	mol	OC(=O)c1cc(ccc1)C=C=C
-21969	mol	OC(=O)c1ccccc1C=C=C
-21970	mol	OC(OC1CCCCC1C=C)=O
-21971	mol	OC(=O)c1ccccc1Cl
-21972	mol	OC(=O)c1ccccc1C#N
-21973	mol	O=COc1ccccc1C=O
-21974	mol	OC(=O)c1ccccc1C=O
-21975	mol	O=COC1CC(CCC1)C=O
-21976	mol	O=COC1CCC(CC1)C=O
-21977	mol	O=COC1CCCCC1C=O
-21978	mol	OC(=O)c1cc(ccc1)C(=O)C=O
-21979	mol	OC(=O)c1cc(ccc1)C(=O)C(O)=O
-21980	mol	OC(=O)c1cc(ccc1)C(=O)N
-21981	mol	OC(=O)c1ccc(cc1)C(=O)N
-21982	mol	OC(=O)c1ccccc1C(=O)N
-21983	mol	O=C(OC1CCCCC1)C(=O)N
-21984	mol	OC(=O)c1ccccc1C(O)=O
-21985	mol	OC(OC1CC(CCC1)C=O)=O
-21986	mol	OC(OC1CCC(CC1)C=O)=O
-21987	mol	OC(OC1CCCCC1C=O)=O
-21988	mol	O=COc1ccccc1F
-21989	mol	OC(=O)c1ccccc1F
-21990	mol	O=COc1ccccc1N
-21991	mol	O=C(Oc1ccccc1)N
-21992	mol	OC(=O)c1ccccc1N
-21993	mol	O=C(OC1CCCCC1)N
-21994	mol	OC(=O)c1ccc(cc1)NC=O
-21995	mol	OC(=O)c1ccccc1NC=O
-21996	mol	OC(=O)c1ccccc1NN
-21997	mol	OC(=O)C1CCCCC1N(N)N
-21998	mol	OC(=O)c1cc(ccc1)N(=O)=O
-21999	mol	O=COC1CCCCC1N(=O)=O
-22000	mol	O=COc1ccccc1O
-22001	mol	OC(=O)c1ccccc1O
-22002	mol	OC(O)c1ccccc1O
-22003	mol	OC(OC1CCCCC1)=O
-22004	mol	O=COc1ccccc1OC=O
-22005	mol	OC(=O)c1ccccc1OC=O
-22006	mol	O=COC1CCCCC1OC=O
-22007	mol	OC(=O)c1ccc(C)cc1C
-22008	mol	OC(=O)c1cc(C)ccc1C
-22009	mol	OC(=O)c1c(C)cccc1C
-22010	mol	OC(=O)c1ccc(C)cc1C=O
-22011	mol	O=COc1ccc(C)cc1F
-22012	mol	OC(=O)c1cc(C)ccc1N
-22013	mol	OC(=O)c1ccc(C)cc1O
-22014	mol	OC(=O)c1cc(C)ccc1O
-22015	mol	O=COc1c(C)cccc1O
-22016	mol	OC(=O)c1c(C)cccc1O
-22017	mol	O=COc1ccc(C=C)cc1
-22018	mol	O=COc1cc(C=C)ccc1
-22019	mol	O=COc1cc(C#C)ccc1
-22020	mol	O=COC1CCCCCCC1
-22021	mol	OC(=O)c1c(C=C)cccc1C
-22022	mol	O=COc1cccc(C#C)c1F
-22023	mol	OC(=O)c1ccc(C#C)cc1F
-22024	mol	OC(=O)c1ccc(C=C)cc1N
-22025	mol	O=COc1cccc(C=C)c1O
-22026	mol	OC(=O)c1ccc(C=C)cc1O
-22027	mol	OC(=O)c1cc(C=C)ccc1O
-22028	mol	OC(=O)c1c(C)cc(C)cc1O
-22029	mol	OC(=O)c1c(C=C)cccc1O
-22030	mol	O=COc1cc(C=C)co1
-22031	mol	OC(=O)c1c(C=C=C)coc1Br
-22032	mol	O=COc1ccccn1
-22033	mol	OC(=O)c1ccccn1
-22034	mol	OC(=O)c1cc(ccn1)C=C=C
-22035	mol	O=COc1cc(C=C)oc1
-22036	mol	O=COc1cc(C#C)oc1
-22037	mol	O=COC1(C#C)C=COC1
-22038	mol	OC(=O)C1(C=C)C=COC1
-22039	mol	O=COc1cc(C=C)oc1C
-22040	mol	O=COc1c(C=C)coc1C
-22041	mol	OC(=O)c1c(C=C)coc1C
-22042	mol	OC(=O)c1c(C#C)coc1C
-22043	mol	O=COc1cc(C=C)oc1C=C
-22044	mol	OC(=O)C1(C=C)C=C(OC1)C#C
-22045	mol	O=COc1cc(C=C)oc1O
-22046	mol	O=COc1c(C=C)coc1O
-22047	mol	O=COc1ccc(C=O)cc1
-22048	mol	OC(=O)c1ccc(C=O)cc1C
-22049	mol	OC(=O)c1ccc(C=O)cc1O
-22050	mol	OC(=O)c1cc(C(C)=O)ccc1
-22051	mol	OC(=O)c1c(C)c(C=O)ccc1C
-22052	mol	OC(=O)c1ccc(C(O)=O)cc1
-22053	mol	OC(=O)c1ccc(F)cc1O
-22054	mol	O=COc1cc(Cl)oc1C
-22055	mol	O=COc1cccnc1
-22056	mol	OC(=O)c1cccnc1
-22057	mol	OC(=O)c1ccc(N)cc1C
-22058	mol	O=COc1ccc(N)cc1N
-22059	mol	OC(=O)c1ccc(N)cc1O
-22060	mol	OC(=O)c1cc(C#N)ccc1Br
-22061	mol	O=COc1cc(C#N)oc1
-22062	mol	O=COC1CCCO1
-22063	mol	O=COC1=CCCO1
-22064	mol	O=COC1CC=CO1
-22065	mol	OC(=O)C1=CCCO1
-22066	mol	OC(O)C1CC=CO1
-22067	mol	O=COC1=C(CCO1)C=C
-22068	mol	O=COC1(CC=CO1)C=C
-22069	mol	O=COC1(CC=CO1)C#C
-22070	mol	O=COC1(CCCO1)C=C
-22071	mol	O=COC1CC(=CO1)C=C
-22072	mol	OC(=O)C1CC(=CO1)C=C
-22073	mol	OC(=O)c1cc(co1)C=C=C
-22074	mol	OC(=O)c1cc(co1)C#CC=C
-22075	mol	O=COC1(CCCO1)C#CC#C
-22076	mol	OC(OC1CC(=CO1)C=C)=O
-22077	mol	O=COC1(CCCO1)C=O
-22078	mol	O=COC1(CC=CO1)C(=O)C=C
-22079	mol	OC(=O)C1(CC=CO1)C(=O)C=C
-22080	mol	O=COC1CC(=CO1)C(O)=O
-22081	mol	O=C(OC1CC=CO1)N(=O)=O
-22082	mol	OC(OC1=CCCO1)=O
-22083	mol	OC(OC1CC=CO1)=O
-22084	mol	OC(OC1CCCO1)=O
-22085	mol	O=COC1(CCCO1)OC=O
-22086	mol	O=COc1cc(C)oc1C
-22087	mol	OC(=O)c1cc(C)oc1C(O)=O
-22088	mol	O=COc1cc(C)oc1O
-22089	mol	OC(=O)c1cc(C)oc1O
-22090	mol	O=COc1cc(C)oc1OC=O
-22091	mol	OC(=O)c1ccc(O)cc1C
-22092	mol	O=COc1c(C=C)occ1C=C
-22093	mol	OC(=O)c1c(C=C)occ1C=C
-22094	mol	OC(=O)c1c(C#C)occ1C#C
-22095	mol	OC(=O)c1ccc(O)cc1C=O
-22096	mol	OC(=O)c1ccc(O)cc1N
-22097	mol	OC(=O)c1ccc(O)cc1O
-22098	mol	O=COc1c(C=C)occ1O
-22099	mol	O=COc1cc(C=O)ccc1
-22100	mol	OC(O)c1cc(C=O)ccc1O
-22101	mol	O=COc1cc(C=O)co1
-22102	mol	OC(=O)C1CC(=C(O)O1)C=O
-22103	mol	O=COc1cc(C=O)oc1
-22104	mol	O=COc1cc(C=O)oc1C
-22105	mol	OC(=O)c1cc(C(O)=O)ccc1
-22106	mol	O=COc1cc(C(O)=O)oc1
-22107	mol	O=COc1cc(C(O)=O)oc1C
-22108	mol	O=COc1cc(C(O)=O)oc1F
-22109	mol	O=COc1cc(C(O)=O)oc1O
-22110	mol	O=COc1cc(C(O)=O)oc1[SiH3]
-22111	mol	OC(=O)c1cc(F)ccc1C=C
-22112	mol	O=COc1cc(F)oc1C
-22113	mol	OC(=O)c1cc(F)oc1F
-22114	mol	O=COc1cc(F)oc1OC=O
-22115	mol	O=COc1ccncc1
-22116	mol	OC(=O)c1ccncc1
-22117	mol	OC(=O)c1ccncc1C
-22118	mol	OC(=O)c1ccncc1O
-22119	mol	OC(=O)c1cc(N)ccc1C
-22120	mol	OC(=O)c1cc(N)ccc1C=C
-22121	mol	OC(=O)c1cc(N)ccc1N
-22122	mol	O=COC1CCOC1
-22123	mol	O=COC1C=COC1
-22124	mol	O=COc1ccoc1Br
-22125	mol	OC(=O)c1ccoc1Br
-22126	mol	O=COc1ccoc1C
-22127	mol	OC(=O)c1ccoc1C
-22128	mol	O=COc1ccoc1C#C
-22129	mol	OC(=O)c1ccoc1C=C
-22130	mol	OC(=O)c1ccoc1C#C
-22131	mol	O=COC1C=C(OC1)C=C
-22132	mol	O=COC1C=COC1C=C
-22133	mol	OC(=O)C1C=C(OC1)C#C
-22134	mol	O=COc1cc(oc1)C=C=C
-22135	mol	O=COc1ccoc1C=C=C
-22136	mol	O=COC1(C=COC1)C#CC#C
-22137	mol	O=COc1ccoc1Cl
-22138	mol	O=COc1ccoc1C=O
-22139	mol	OC(=O)c1ccoc1C=O
-22140	mol	O=COC1C=COC1C(=O)C=C
-22141	mol	OC(=O)C1C=COC1(C=O)C=O
-22142	mol	O=COc1ccoc1C(O)=O
-22143	mol	OC(=O)c1ccoc1C(O)=O
-22144	mol	OC(=O)c1ccoc1F
-22145	mol	O=COc1ccoc1O
-22146	mol	OC(=O)c1ccoc1O
-22147	mol	OC(OC1C=COC1)=O
-22148	mol	OC(OC1CCOC1)=O
-22149	mol	O=COc1ccoc1OC=O
-22150	mol	OC(=O)c1ccoc1OC=O
-22151	mol	O=COc1ccoc1[SiH3]
-22152	mol	O=COc1c(C)occ1O
-22153	mol	OC(=O)c1c(C)occ1O
-22154	mol	OC(=O)c1cc(O)ccc1C
-22155	mol	O=COc1cc(O)ccc1C=C
-22156	mol	OC(=O)c1cc(O)ccc1C=C
-22157	mol	OC(=O)c1cc(O)ccc1C=O
-22158	mol	OC(=O)c1cc(O)ccc1N
-22159	mol	OC(=O)c1cc(O)ccc1O
-22160	mol	OC(=O)c1c(C=O)cccc1C
-22161	mol	OC(=O)c1c(C=O)cccc1N
-22162	mol	OC(=O)c1c(C=O)cccc1O
-22163	mol	O=COc1c(C=O)coc1C
-22164	mol	O=COc1cc(OC=O)ccc1
-22165	mol	O=COC1CC(OC=O)=CO1
-22166	mol	O=COc1cc(OC=O)oc1
-22167	mol	OC(=O)c1cc(O)oc1C=C
-22168	mol	O=COc1cc(O)oc1O
-22169	mol	O=COc1cc(O)oc1OC=O
-22170	mol	O=COc1c(C(O)=O)coc1Cl
-22171	mol	O=COc1c(C(O)=O)coc1O
-22172	mol	O=COc1cc([SiH3])oc1C
-22173	mol	Oc(oc1Cl)cc1C=C=C
-22174	mol	OC(=O)c1cnccc1N
-22175	mol	OC(=O)c1c(N)cccc1O
-22176	mol	OC(OC1(C#N)C=C=C)=CC1
-22177	mol	OC(=O)c1c(N)cc(O)cc1O
-22178	mol	OC(=O)c1coc2c1cccc2
-22179	mol	O=COc1cocc1
-22180	mol	OC(=O)c1cocc1
-22181	mol	OC(O)c1cocc1
-22182	mol	O=COC1=COCC1
-22183	mol	OC(=O)C1=COCC1
-22184	mol	OC(O)C1=COCC1
-22185	mol	O=COc1cocc1C
-22186	mol	OC(=O)c1cocc1C
-22187	mol	O=COc1cocc1C=C
-22188	mol	O=COc1cocc1C#C
-22189	mol	OC(=O)c1cocc1C=C
-22190	mol	OC(=O)c1cocc1C#C
-22191	mol	O=COC1=COCC1C=C
-22192	mol	OC(=O)c1cocc1C(C)=O
-22193	mol	O=COc1cocc1C=O
-22194	mol	OC(=O)c1cocc1C=O
-22195	mol	OC(=O)c1cocc1C(=O)C=O
-22196	mol	O=COc1cocc1C(O)=O
-22197	mol	OC(=O)c1cocc1C(O)=O
-22198	mol	O=C(Oc1cocc1)N(=O)=O
-22199	mol	O=COc1cocc1O
-22200	mol	OC(=O)c1cocc1O
-22201	mol	OC(=O)C1COC(=C1O)C#C
-22202	mol	O=COc1cocc1OC=O
-22203	mol	O=COC1COC=C1OC=O
-22204	mol	O=COc1coc(C=C)c1C
-22205	mol	O=COc1coc(C=C)c1C=O
-22206	mol	O=COc1coc(C=C)c1O
-22207	mol	OC(=O)c1c(O)cccc1O
-22208	mol	OC(=O)c1coc(C=C=C)c1Br
-22209	mol	O=COc1coc(C=O)c1C
-22210	mol	O=COc1coc(C=O)c1C=C
-22211	mol	O=COc1coc(C=O)c1C=O
-22212	mol	O=COc1coc(C(O)=O)c1O
-22213	mol	OC(=O)C1COC(N)=C1[SiH3]
-22214	mol	O=COc1coc(OC=O)c1O
-22215	mol	OC(=O)c1c(O)occ1C
-22216	mol	O=COc1c(O)occ1O
-22217	mol	OC(=O)C1(C(O)=O)C=COC1
-22218	mol	OC(OC1F)CC1C#C
-22219	mol	OC(OC1F)CC1C(O)=O
-22220	mol	Oc(oc1F)cc1[SiH3]
-22221	mol	OC(=O)c1nc(N)ccc1Br
-22222	mol	O=COc1occc1
-22223	mol	OC(=O)c1occc1
-22224	mol	OC(O)c1occc1
-22225	mol	O=COc1occc1C
-22226	mol	OC(=O)c1occc1C
-22227	mol	O=COc1occc1C=C
-22228	mol	O=COc1occc1C#C
-22229	mol	OC(=O)c1occc1C#C
-22230	mol	O=COC1OC=CC1C=C
-22231	mol	O=COC1OC=CC1C#C
-22232	mol	OC(=O)c1oc(cc1)C=C=C
-22233	mol	OC(=O)c1occc1C=C=C
-22234	mol	OC(=O)c1occc1C(=C)C=O
-22235	mol	OC(=O)c1occc1C#CC=O
-22236	mol	O=COc1occc1Cl
-22237	mol	O=COc1occc1C=O
-22238	mol	O=COC1OC(=CC1)C=O
-22239	mol	OC(=O)c1occc1F
-22240	mol	O=COc1occc1O
-22241	mol	OC(=O)c1occc1O
-22242	mol	O=COC1OC=CC1OC=O
-22243	mol	O=COc1oc(C)cc1C=C
-22244	mol	O=COC1OC(=C(C)C1)C=C
-22245	mol	O=COc1oc(C)cc1C=O
-22246	mol	OC(=O)C1OC(=C(C)C1)C(O)=O
-22247	mol	O=COc1oc(C=C)cc1
-22248	mol	O=COc1oc(C#C)cc1
-22249	mol	O=COc1occ(C=C)c1C
-22250	mol	O=COc1occ(C#C)c1C
-22251	mol	O=COc1occ(C=C)c1C#C
-22252	mol	O=COc1occ(C=C)c1O
-22253	mol	O=COc1oc(C=C)cc1O
-22254	mol	O=COc1oc(C=C)c(O)c1O
-22255	mol	O=COc1occ(C=O)c1C
-22256	mol	O=COc1occ(C=O)c1C=C
-22257	mol	O=COc1occ(C=O)c1O
-22258	mol	O=COc1occ(C(O)=O)c1C
-22259	mol	O=COc1occ(C(O)=O)c1O
-22260	mol	OC(=O)c1oc(Cl)cc1C=C=C
-22261	mol	OC(=O)C1(O)C=C(OC1)C=C
-22262	mol	OC(=O)C1(O)C=C(OC1)C#C
-22263	mol	O=COC1(O)C=C(OC1)C(O)=O
-22264	mol	O=COc1oc(C=O)cc1
-22265	mol	O=COc1oc(C=O)cc1C=C
-22266	mol	O=COc1oc(C=O)cc1C=O
-22267	mol	O=COc1oc(C=O)cc1O
-22268	mol	OC(=O)c1oc(C(O)=O)cc1
-22269	mol	O=COc1oc(C(O)=O)cc1O
-22270	mol	OC(=O)c1oc(O)cc1C#C
-22271	mol	O=COc1oc(O)cc1O
-22272	mol	O=COC1(OC=O)CC=CO1
-22273	mol	O=COc1oc(OC=O)cc1
-22274	mol	O=COC1OC(OC=O)=CC1
-22275	mol	OC(=O)c2c1ccoc1ccc2
-22276	mol	O=COc2c1occc1ccc2
-22277	mol	OC(=O)c2c1occc1ccc2
-22278	mol	O=COc2cc1ccoc1cc2
-22279	mol	OC(=O)c2cc1occc1cc2
-22280	mol	OC(=O)c2cc(C(C1CCCCC1)=O)ccc2
-22281	mol	OC(=O)c2cc(ccc2)c1ccccc1
-22282	mol	OC(=O)c2ccccc2C1CCCCC1
-22283	mol	O=C(OC2CCCCC2)C1CCCCC1
-22284	mol	O=C(OC2CC=CO2)c1cocc1
-22285	mol	O=COc2oc1ccccc1c2
-22286	mol	Oc(oc2O)cc2C1CC=CO1
-22287	mol	OC(=O)C(Br)=C=C
-22288	mol	OC(=O)C(Br)=C=CC1CCCO1
-22289	mol	OC(=O)C(Br)=C=CC=C=C
-22290	mol	OC(OC(Br)=O)=O
-22291	mol	OCOCC
-22292	mol	O=COC=C
-22293	mol	OC(=O)C=C
-22294	mol	OC(=O)C#C
-22295	mol	OC(O)(C)C
-22296	mol	OC(O)C=C
-22297	mol	OCOC#C
-22298	mol	OC(OCC1)=C1[SiH3]
-22299	mol	O=COCc1ccccc1
-22300	mol	OC(=O)Cc1ccccc1
-22301	mol	OC(O)=Cc1ccccc1
-22302	mol	OC(O)(C)c1ccccc1
-22303	mol	O=COCC1CCCCC1
-22304	mol	OC(=O)C(c1ccccc1)=C
-22305	mol	O=COC(C1CCCCC1)=C
-22306	mol	OC(=O)C(C1CCCCC1)=C
-22307	mol	OC(O)(CC1CCCCC1)C=C
-22308	mol	OC(=O)C(c1ccccc1)=O
-22309	mol	O=COC(C1CCCCC1)=O
-22310	mol	OC(=O)C(C1CCCCC1)=O
-22311	mol	OC(OC(C1CCCCC1)=O)=O
-22312	mol	O=COCC1CCCCCCC1
-22313	mol	O=COCC1=CCCO1
-22314	mol	OC(O)=CC1CC=CO1
-22315	mol	O=COC(C1CC=CO1)=C
-22316	mol	O=COC(C1CCCO1)=C
-22317	mol	OC(=O)C(C1CC=CO1)=C
-22318	mol	OC(=O)C(C1CCCO1)=C
-22319	mol	OC(=O)C(C1CCCO1)=CC=O
-22320	mol	OC(OC(C1CCCO1)=C)=O
-22321	mol	O=COC(C1CC=CO1)=O
-22322	mol	O=COC(C1CCCO1)=O
-22323	mol	OC(=O)C(C1CC=CO1)=O
-22324	mol	OC(=O)C(C1CCCO1)=O
-22325	mol	OC(OCC1=CCCO1)=O
-22326	mol	OC(OC(C1CCCO1)=O)=O
-22327	mol	OC(O)=CC1C=COC1
-22328	mol	O=COC(C1CCOC1)=C
-22329	mol	OC(=O)C(C1CCOC1)=C
-22330	mol	OC(=O)C(C1CCOC1)=CC=C
-22331	mol	OC(=O)C(C1C=C(OC1)C=C)=O
-22332	mol	OC(O)=C(C1C=COC1)C=O
-22333	mol	O=COC(C1C=COC1)=O
-22334	mol	O=COC(C1CCOC1)=O
-22335	mol	OC(=O)C(C1C=COC1)=O
-22336	mol	OC(=O)C(C1CCOC1)=O
-22337	mol	OC(OC(C1CCOC1)=O)=O
-22338	mol	O=COCc1cocc1
-22339	mol	OC(=O)Cc1cocc1
-22340	mol	OC(O)=Cc1cocc1
-22341	mol	OC(O)(C)c1cocc1
-22342	mol	OC(=O)C(c1cocc1)=C
-22343	mol	OC(=O)C(c1cocc1)=CC=C
-22344	mol	OC(=O)C(c1cocc1)=CC#C
-22345	mol	OC(=O)C(c1cocc1)=O
-22346	mol	OC(=O)Cc1occc1
-22347	mol	OC(O)=Cc1occc1
-22348	mol	OC(=O)C(c1occc1)=C
-22349	mol	OC(=O)C(C1OC(=CC1)C=O)=O
-22350	mol	OC(=O)c(c2)cc(c1ccccc1)cc2C=O
-22351	mol	OCOCCC
-22352	mol	O=COC=C=C
-22353	mol	O=COCC=C
-22354	mol	OC(=O)C=C=C
-22355	mol	OC(=O)C(C)=C
-22356	mol	OC(O)=C(C)C
-22357	mol	OC(O)=CC=C
-22358	mol	OC(O)(C)C=C
-22359	mol	OC(O)C(C)C
-22360	mol	OC(OC=C)=C
-22361	mol	OC(OC#C)=C
-22362	mol	OCOC(C)C
-22363	mol	O=COc(cc1Br)oc1C=C=C
-22364	mol	OC(=O)c(cc1cc2)oc1cc2
-22365	mol	OC(=O)c(cc1)ccc1Br
-22366	mol	O=COc(cc1)ccc1C
-22367	mol	OC(=O)c(cc1)ccc1C
-22368	mol	OC(=O)c(cc1)ccc1C=C
-22369	mol	OC(=O)c(cc1)ccc1Cl
-22370	mol	OC(=O)c(cc1)ccc1C#N
-22371	mol	OC(=O)c(cc1)ccc1C=O
-22372	mol	O=COc(cc1)ccc1F
-22373	mol	OC(=O)c(cc1)ccc1F
-22374	mol	OC(=O)c(cc1)ccc1N
-22375	mol	O=COc(cc1)ccc1O
-22376	mol	OC(=O)c(cc1)ccc1O
-22377	mol	OC(=O)c(cc1)ccc1OC=O
-22378	mol	OC(=O)c(cc1C)cc(C)c1
-22379	mol	O=COCCc1ccccc1
-22380	mol	O=COC=Cc1ccccc1
-22381	mol	O=COC(=C)c1ccccc1
-22382	mol	O=COC#Cc1ccccc1
-22383	mol	OC(=O)C=Cc1ccccc1
-22384	mol	OC(=O)C#Cc1ccccc1
-22385	mol	O=COCCC1CCCCC1
-22386	mol	O=COC=CC1CCCCC1
-22387	mol	O=COC#CC1CCCCC1
-22388	mol	OC(=O)C#CC1CCCCC1
-22389	mol	OC(O)CCC1CCCCC1
-22390	mol	O=COC#Cc1ccccc1O
-22391	mol	OC(=O)C(CC1CCCCC1)=O
-22392	mol	O=COCCC1CCCO1
-22393	mol	O=COC=CC1CCCO1
-22394	mol	O=COC=CC1CC=CO1
-22395	mol	O=COC(=C)C1=CCCO1
-22396	mol	O=COC#CC1CCCO1
-22397	mol	O=COC#CC1=CCCO1
-22398	mol	O=COC#CC1CC=CO1
-22399	mol	OC(=O)C=CC1CCCO1
-22400	mol	OC(=O)C=CC1CC=CO1
-22401	mol	OC(=O)C#CC1CCCO1
-22402	mol	OC(=O)C#CC1=CCCO1
-22403	mol	OC(=O)C#CC1CC=CO1
-22404	mol	OC(O)=C(C)C1CC=CO1
-22405	mol	OC(OC(CC1CC=CO1)=O)=O
-22406	mol	OC(=O)C=Cc1ccncc1
-22407	mol	OC(=O)C#Cc1ccncc1
-22408	mol	OC(=O)C#CC1CCNCC1
-22409	mol	O=COC=CC1CCOC1
-22410	mol	O=COC=CC1C=COC1
-22411	mol	O=COC#CC1CCOC1
-22412	mol	O=COC#CC1C=COC1
-22413	mol	O=COCCC1C=COC1
-22414	mol	OC(=O)C=CC1CCOC1
-22415	mol	OC(=O)C#CC1CCOC1
-22416	mol	OC(=O)C#CC1C=COC1
-22417	mol	OC(O)=C(C)C1C=COC1
-22418	mol	O=COc(cc1C=C)oc1C=C
-22419	mol	O=COC=C(C1C=COC1)C=O
-22420	mol	OC(OC#CC1C=COC1)=O
-22421	mol	OC(=O)c(cc1C)c(O)cc1F
-22422	mol	OC(=O)c(cc1C)oc1C#C
-22423	mol	O=COc(cc1C)oc1O
-22424	mol	O=COCCc1cocc1
-22425	mol	O=COC=Cc1cocc1
-22426	mol	O=COC(=C)c1cocc1
-22427	mol	O=COC#Cc1cocc1
-22428	mol	OC(=O)C=Cc1cocc1
-22429	mol	OC(=O)C#Cc1cocc1
-22430	mol	OC(O)=C(C)c1cocc1
-22431	mol	O=COC=CC1=COCC1
-22432	mol	O=COC(=C)C1=COCC1
-22433	mol	O=COC#CC1=COCC1
-22434	mol	O=COCCC1=COCC1
-22435	mol	OC(=O)C=CC1=COCC1
-22436	mol	OC(=O)C(=C)C1=COCC1
-22437	mol	O=COC=C(c1cocc1)C=C
-22438	mol	OC(=O)C=C(c1cocc1)C#C
-22439	mol	OC(=O)C(=Cc1cocc1)C=C
-22440	mol	OC(=O)C=C(c1cocc1)C#N
-22441	mol	O=COC(=Cc1cocc1)C=O
-22442	mol	OC(=O)C=C(c1cocc1)C=O
-22443	mol	OC(OC=Cc1cocc1)=O
-22444	mol	OC(OC#Cc1cocc1)=O
-22445	mol	OC(OCCc1cocc1)=O
-22446	mol	OC(=O)c(cc1F)cc(O)c1
-22447	mol	O=COc(cc1N)cc(C)c1
-22448	mol	OC(=O)c(cc1N)cc(C)c1
-22449	mol	OC(=O)c(cc1N)cc(C)c1N
-22450	mol	OC(=O)c(cc1N)cc(C=C)c1
-22451	mol	OC(=O)c(cc1N)cc(N)c1
-22452	mol	O=COc(cc1N)c(F)cc1C
-22453	mol	OC(=O)c(cc1N)c(F)cc1O
-22454	mol	O=COc(cc1)oc1C
-22455	mol	OC(=O)c(cc1)oc1C
-22456	mol	OC(=O)c(cc1)oc1C=C
-22457	mol	OC(=O)c(cc1)oc1C#C
-22458	mol	OC(=O)c(cc1)oc1F
-22459	mol	O=COc(cc1)oc1O
-22460	mol	OC(=O)c(cc1)oc1O
-22461	mol	OC(=O)c(cc1)oc1OC=O
-22462	mol	O=COCCc1occc1
-22463	mol	O=COC=Cc1occc1
-22464	mol	O=COC(=C)c1occc1
-22465	mol	O=COC#Cc1occc1
-22466	mol	OC(=O)C=Cc1occc1
-22467	mol	OC(=O)C#Cc1occc1
-22468	mol	O=COC=C(c1occc1)C=C
-22469	mol	O=COC(=Cc1occc1)C=C
-22470	mol	O=COC(=Cc1occc1)C=O
-22471	mol	OC(=O)c(cc1O)cc(C)c1
-22472	mol	OC(=O)c(cc1O)c(C)cc1C
-22473	mol	OC(=O)c(cc1O)cc(C)c1O
-22474	mol	OC(=O)c(cc1O)cc(C=C)c1
-22475	mol	OC(=O)c(cc1O)cc(N)c1
-22476	mol	OC(=O)c(cc1O)cc(O)c1
-22477	mol	OC(=O)c(cc1O)cc(O)c1C
-22478	mol	OC(=O)c(cc1O)cc(O)c1O
-22479	mol	OC(=O)c(cc1O)cc([SiH3])c1
-22480	mol	OC(=O)c(cc1O)c(F)cc1O
-22481	mol	O=COc(cc1O)c(N)cc1O
-22482	mol	OC(=O)c(cc1O)c(O)cc1C
-22483	mol	OC(=O)c(cc1O)c(O)cc1F
-22484	mol	O=COc(cc1O)oc1C
-22485	mol	OC(=O)c(cc1O)oc1C
-22486	mol	O=COc(cc1O)oc1C=C
-22487	mol	O=COc(cc1O)oc1C(O)=O
-22488	mol	O=COc(cc1O)oc1O
-22489	mol	O=COc(cc1O)oc1OC=O
-22490	mol	OC(=O)c(cc2)ccc2C1CCCCC1
-22491	mol	OC(=O)c(cc2C=O)cc(c1ccccc1)c2O
-22492	mol	O=COC=C=C(Br)C#C
-22493	mol	O=COC(=C=CBr)N(=O)=O
-22494	mol	OCOCCCC
-22495	mol	O=COC=C=CC
-22496	mol	O=COC=CC#C
-22497	mol	O=COC(=C)C=C
-22498	mol	O=COC(=C)C#C
-22499	mol	O=COC#CC=C
-22500	mol	O=COC#CC#C
-22501	mol	O=COCCC=C
-22502	mol	OC(=O)C=CC#C
-22503	mol	OC(=O)C(=C)C#C
-22504	mol	OC(=O)C#CC=C
-22505	mol	OC(=O)C#CC#C
-22506	mol	OC(O)(C=C)C=C
-22507	mol	OC(O)(C)CC=C
-22508	mol	OC(O)CC(C)C
-22509	mol	OC(OC#C)C#C
-22510	mol	OCOC(C)CC
-22511	mol	OCOCC(C)C
-22512	mol	OC(=O)c(ccc1)cc1Br
-22513	mol	O=COc(ccc1)cc1C
-22514	mol	OC(=O)c(ccc1)cc1C
-22515	mol	OC(=O)c(ccc1)cc1C=C
-22516	mol	OC(=O)c(ccc1)cc1Cl
-22517	mol	OC(=O)c(ccc1)cc1C#N
-22518	mol	OC(=O)c(ccc1)cc1C=O
-22519	mol	O=COc(ccc1)cc1F
-22520	mol	OC(=O)c(ccc1)cc1F
-22521	mol	O=COc(ccc1)cc1N
-22522	mol	OC(=O)c(ccc1)cc1N
-22523	mol	O=COc(ccc1)cc1O
-22524	mol	OC(=O)c(ccc1)cc1O
-22525	mol	OC(=O)c(ccc1)cc1OC=O
-22526	mol	OC(=O)c(ccc1)cc1[SiH3]
-22527	mol	OC(=O)c(ccc1C)cc1C=C
-22528	mol	OC(=O)c(ccc1C)cc1C=O
-22529	mol	OC(=O)c(ccc1C)cc1O
-22530	mol	OC(=O)Cc(cc1)ccc1O
-22531	mol	OC(=O)c(ccc1C=C)cc1F
-22532	mol	OC(=O)c(ccc1C=C)cc1N
-22533	mol	O=COc(ccc1C=C)cc1O
-22534	mol	OC(=O)c(ccc1C=C)cc1O
-22535	mol	O=COCCCc1ccccc1
-22536	mol	OC(=O)C=C=Cc1ccccc1
-22537	mol	OC(=O)C(C)=Cc1ccccc1
-22538	mol	OC(O)(C=C)Cc1ccccc1
-22539	mol	O=COCCCC1CCCCC1
-22540	mol	OC(=O)C=C=CC1CCCCC1
-22541	mol	OC(=O)C(CCc1ccccc1)c2ccccc2
-22542	mol	OC(=O)C=C=Cc1ccccn1
-22543	mol	OC(=O)C=C=Cc1cccnc1
-22544	mol	O=COC=C=CC1CC=CO1
-22545	mol	OC(=O)C=C=CC1CCCO1
-22546	mol	OC(=O)c(ccc1C=C)nc1O
-22547	mol	OC(=O)C=C=Cc1ccncc1
-22548	mol	O=COCCCC1CCOC1
-22549	mol	O=COC#CCC1CCOC1
-22550	mol	O=COCCCC1C=COC1
-22551	mol	OC(=O)C=C=CC1C=COC1
-22552	mol	OC(=O)c(ccc1C)c(O)c1O
-22553	mol	OC(O)=C(C)C(C1C=COC1)=O
-22554	mol	OC(=O)c(ccc1Cl)cc1C#C
-22555	mol	OC(=O)c(ccc1Cl)cc1C=O
-22556	mol	O=COc(ccc1Cl)cc1F
-22557	mol	OC(=O)c(ccc1Cl)c(F)c1F
-22558	mol	O=COC(=CC)c1cocc1
-22559	mol	OC(=O)C=C=Cc1cocc1
-22560	mol	OC(=O)C=C=CC1=COCC1
-22561	mol	OC(=O)c(ccc1C=O)cc1C
-22562	mol	OC(=O)c(ccc1F)cc1F
-22563	mol	OC(=O)c(ccc1F)cc1O
-22564	mol	OC(=O)c(ccc1N)cc1C
-22565	mol	OC(=O)c(ccc1N)cc1C=C
-22566	mol	O=COc(ccc1N)cc1N
-22567	mol	OC(=O)c(ccc1N)cc1N
-22568	mol	OC(=O)c(ccc1N)c(O)c1O
-22569	mol	OC(=O)c(ccc1O)cc1C
-22570	mol	OC(=O)c(ccc1O)cc1C=C
-22571	mol	OC(=O)c(ccc1O)cc1F
-22572	mol	O=COc(ccc1O)cc1N
-22573	mol	O=COc(ccc1O)cc1O
-22574	mol	OC(=O)c(ccc1O)cc1O
-22575	mol	O=COCCCc1occc1
-22576	mol	O=COCC#Cc1occc1
-22577	mol	OC(=O)C=C=Cc1occc1
-22578	mol	OC(=O)c(ccc1O)c(Cl)c1Cl
-22579	mol	OC(=O)c(ccc1O)c(O)c1C
-22580	mol	OC(=O)c(ccc1O)c(O)c1N
-22581	mol	O=COC=C=CC=C
-22582	mol	O=COC=CC=C=C
-22583	mol	O=COC(=C=C)C=C
-22584	mol	O=COC(=CC)C=C
-22585	mol	O=COC#CC#CC
-22586	mol	O=COC#CCC=C
-22587	mol	O=COCCCC=C
-22588	mol	OC(=O)C=C=CC=C
-22589	mol	OC(=O)C=C(C)C=C
-22590	mol	OC(=O)C=C(C)C#C
-22591	mol	OC(=O)C=CC=C=C
-22592	mol	OC(=O)C(=C=C)C=C
-22593	mol	OC(=O)C(=C)C=C=C
-22594	mol	OC(=O)C(C)=CC#C
-22595	mol	OC(=O)C#CC=C=C
-22596	mol	OC(=O)CC#CC#C
-22597	mol	OC(O)(CC=C)C=C
-22598	mol	OC(O)CCCC=C
-22599	mol	O=COc(cccc1C)c1C
-22600	mol	O=COc(cccc1C)c1C=C
-22601	mol	OC(=O)c(cccc1C)c1C=O
-22602	mol	OC(=O)c(cccc1C)c1N
-22603	mol	OC(=O)c(cccc1C)c1O
-22604	mol	OC(=O)Cc(ccc1)cc1O
-22605	mol	OC(=O)c(cccc1C=C)c1O
-22606	mol	O=COC#Cc(cc1)ccc1O
-22607	mol	O=COC#CC#CC1=CCCO1
-22608	mol	O=COCCCCC1CC=CO1
-22609	mol	OC(=O)C#CC#CC1CCCO1
-22610	mol	OC(=O)C#CC#CC1CC=CO1
-22611	mol	O=COC#CC#CC1CCOC1
-22612	mol	OC(=O)C#CC#CC1CCOC1
-22613	mol	OC(=O)C#CC#CC1C=COC1
-22614	mol	OC(=O)c(cccc1Cl)c1Cl
-22615	mol	OC(=O)c(cccc1C=O)c1Br
-22616	mol	OC(=O)c(cccc1C=O)c1O
-22617	mol	O=C(OC#CC#C)c1cocc1
-22618	mol	O=COC#CC#Cc1cocc1
-22619	mol	OC(=O)C(CC=C)c1cocc1
-22620	mol	OC(=O)C#CC#Cc1cocc1
-22621	mol	OC(=O)Cc(ccc1C=O)cc1C
-22622	mol	OC(=O)c(cccc1N)c1O
-22623	mol	O=COc(cccc1O)c1C
-22624	mol	OC(=O)c(cccc1O)c1C
-22625	mol	O=COc(cccc1O)c1C=C
-22626	mol	OC(=O)c(cccc1O)c1C=C
-22627	mol	O=COc(cccc1O)c1C=O
-22628	mol	OC(=O)c(cccc1O)c1C=O
-22629	mol	OC(=O)c(cccc1O)c1N
-22630	mol	OC(=O)c(cccc1O)c1O
-22631	mol	OC(=O)c(cccc1O)c1OC=O
-22632	mol	O=C(OC#CC#C)c1occc1
-22633	mol	OC(=O)C#CC#Cc1occc1
-22634	mol	OC(=O)C(c(ccc2)cc2C1CCCCC1)=O
-22635	mol	O=COC(C#C)=C=CBr
-22636	mol	O=COC=C=CC=C=C
-22637	mol	O=COC=C(C#C)C=C
-22638	mol	O=COC=CC=CC=C
-22639	mol	O=COC=CC(=C)C=C
-22640	mol	O=COC=CC#CC=C
-22641	mol	O=COC(=C=C)C=C=C
-22642	mol	O=COC(=C)C(=C)C=C
-22643	mol	O=COC(=CC)C=C=C
-22644	mol	O=COC(C=C)=CC#C
-22645	mol	O=COC(C#C)=CC=C
-22646	mol	O=COC(C#C)=CC#C
-22647	mol	O=COC#CC#CC#C
-22648	mol	O=COCCCCC=C
-22649	mol	OC(=O)C=C=CC=C=C
-22650	mol	OC(=O)C=C(C#C)C#C
-22651	mol	OC(=O)C=CC#CC=C
-22652	mol	OC(=O)C=CC#CC#C
-22653	mol	OC(=O)C(=C=C)C=C=C
-22654	mol	OC(=O)C(C=C)=CC=C
-22655	mol	OC(=O)C(C=C)=CC#C
-22656	mol	OC(=O)C(C)=C(C)C#C
-22657	mol	OC(=O)C(C#C)=CC=C
-22658	mol	OC(=O)C(C#C)=CC#C
-22659	mol	OC(=O)C#CC#CC=C
-22660	mol	OC(=O)C#CC#CC#C
-22661	mol	OC(O)(C=C)C=CC=C
-22662	mol	OC(O)C(C)(C)CC=C
-22663	mol	OC(O)CC(C)C(C)C
-22664	mol	OC(O)CCCC(C)C
-22665	mol	OC(=O)c(cc(C)cc1C)c1C=O
-22666	mol	OC(=O)c(cc(C)cc1C)c1O
-22667	mol	OC(=O)c(c(C)ccc1C)c1O
-22668	mol	O=COC#Cc(ccc1)cc1O
-22669	mol	OC(=O)c(cc(C)cc1C=O)c1C=O
-22670	mol	OC(=O)c(cc(C)cc1O)c1O
-22671	mol	O=COC(C=C)C#CC#C
-22672	mol	O=COC(C)=C(C#C)C#C
-22673	mol	O=COC(C#C)=C(C)C#C
-22674	mol	OC(=O)C(C=C)=C(C)C=C
-22675	mol	OC(=O)C(C=C)C#CC#C
-22676	mol	OC(=O)C(C)=C(C#C)C=C
-22677	mol	OC(=O)C(C#C)=C(C)C#C
-22678	mol	OC(=O)C(C#C)C#CC#C
-22679	mol	OC(O)C(CCC=C)C=C
-22680	mol	O=COC=CC(C(C)(C)C)=C
-22681	mol	O=COC(=C)C#CC#CC=C
-22682	mol	O=COC(C=C=C)=CC=C=C
-22683	mol	O=COC#CC#CC#CC#C
-22684	mol	O=COCC(CCC=C)C=C
-22685	mol	O=COCCC(CC=C)C=C
-22686	mol	OC(=O)C=C=C(C=C)C=C=C
-22687	mol	OC(=O)C=C(C=C=C)C=C=C
-22688	mol	OC(=O)C=C(C=C)C#CC#C
-22689	mol	OC(=O)C(C=C=C)=C=CC=C
-22690	mol	OC(=O)C(C=C=C)=CC=C=C
-22691	mol	OC(=O)C(C)(C=C)C#CC#C
-22692	mol	OC(=O)C(C#C)=C(C#C)C#C
-22693	mol	OC(=O)C#CC(C#C)=C(C)C#C
-22694	mol	OC(=O)CCC(C#C)=C(C)C#C
-22695	mol	OC(O)CC(C(C)(C)CC)C=C
-22696	mol	O=COC(C=C=C)=C(C)C#N
-22697	mol	O=COC(C=C=C)=C=CC=O
-22698	mol	O=COC(C(C=C)C=C)C=O
-22699	mol	O=COC#CC#CC#CC=O
-22700	mol	O=COCC(CCC=C)C=O
-22701	mol	O=COC(C#C)(C#C)C=O
-22702	mol	OC(=O)C(C=C=C)=CC=O
-22703	mol	OCOC(CC)(CC)C=O
-22704	mol	OC(=O)C(C)(C)C#CC(=O)C#C
-22705	mol	O=COCC(CCC=C)OC=O
-22706	mol	OC(=O)C(C)(C)C#CC(O)=O
-22707	mol	OC(=O)C(C=C=C)=C(F)C=C=C
-22708	mol	O=COC(C=C)=C=CN
-22709	mol	O=COC(C)=C(C)C=O
-22710	mol	O=COC#CC=CC=O
-22711	mol	O=COC#CC(=C)C=O
-22712	mol	O=COC#CC#CC=O
-22713	mol	OC(=O)C#CC#CC=O
-22714	mol	OC(O)CCC(C)C=O
-22715	mol	OC(=O)C(=CC=C)C(=O)C=C
-22716	mol	OC(=O)C(C(CCC=O)C=O)c1ccccc1
-22717	mol	O=COC#CC#CC(=O)C(O)=O
-22718	mol	O=COC=C(C=C)C(O)=O
-22719	mol	O=COC(C=C)=CC(O)=O
-22720	mol	O=COC#CC(=C)C(O)=O
-22721	mol	O=COC#CC#CC(O)=O
-22722	mol	OC(=O)C#CC=CC(O)=O
-22723	mol	OC(=O)C#CC#CC(O)=O
-22724	mol	OC(O)(C)CC(C)C(O)=O
-22725	mol	OC(OCCCCC=O)=O
-22726	mol	O=COC(C)=C=CF
-22727	mol	O=COC(C)=C=C(F)C
-22728	mol	O=COC=C=CCl
-22729	mol	O=COC(=C=CCl)C1=CCCO1
-22730	mol	OC(=O)C=C=C(Cl)C#C
-22731	mol	O=COC(=C=CCl)C=C=C
-22732	mol	O=COCCCCN(=O)=O
-22733	mol	O=COC=C=CC=O
-22734	mol	O=COC(=CC)C=O
-22735	mol	O=COC#CC=CO
-22736	mol	O=COC#CC(C)=O
-22737	mol	O=COC#CC#CO
-22738	mol	O=COC#CCC=O
-22739	mol	O=COCCCC=O
-22740	mol	OC(O)CC(C)C=O
-22741	mol	OC(=O)C=C=CC(=O)C=C=C
-22742	mol	O=COC=C=CC(OC=C)=O
-22743	mol	O=COCC(CC=O)CC=O
-22744	mol	OC(=O)C(C)(C)C(=O)C=O
-22745	mol	OC(=O)CC(C)C(=O)C=O
-22746	mol	O=COCCC(COC=O)C=O
-22747	mol	OC(=O)CC(C)C(=O)C(O)=O
-22748	mol	OC(=O)C=C(C)C(O)=O
-22749	mol	O=COC=CC#C[SiH3]
-22750	mol	O=COC=C=CF
-22751	mol	O=COc(cc(F)cc1N)c1F
-22752	mol	OC(=O)c(cc(F)cc1O)c1F
-22753	mol	OC(=O)C=C=C(F)C=C=C
-22754	mol	OC(=O)C=CC#N
-22755	mol	OC(=O)C(=C)C#N
-22756	mol	OC(=O)c(cc(N)cc1Cl)c1Cl
-22757	mol	OC(=O)C=C(C#N)C=C=C
-22758	mol	OC(=O)C=C=CN(=O)=O
-22759	mol	O=COC=CC=O
-22760	mol	O=COC(=C)C=O
-22761	mol	O=COC#CC=O
-22762	mol	O=COCCC=O
-22763	mol	OC(=O)C=CC=O
-22764	mol	OC(=O)C(=C)C=O
-22765	mol	OC(=O)C#CC=O
-22766	mol	OC(O)=C(C)C=O
-22767	mol	O=COC(CCO1)=C1O
-22768	mol	O=COC#CC(=O)C#C
-22769	mol	OC(=O)C(C)C(=O)C=C
-22770	mol	OC(=O)C#CC(=O)C#C
-22771	mol	O=COC(CC=O)CC=C
-22772	mol	O=COC=C=C(O)C=O
-22773	mol	O=COC(C)=C(O)C=O
-22774	mol	O=COC#CC(=O)C=O
-22775	mol	O=COCC#COC=O
-22776	mol	O=COCCCOC=O
-22777	mol	OC(=O)C(C)=C(O)C=O
-22778	mol	OC(=O)C#CC(=O)C=O
-22779	mol	OC(O)CCCOC=O
-22780	mol	O=COC=CC(OC=O)=O
-22781	mol	O=COC#CC(=O)C(O)=O
-22782	mol	OC(=O)C#CC(=O)C(O)=O
-22783	mol	OC(=O)C(=C)C(=O)N
-22784	mol	O=COC=CC(O)=O
-22785	mol	O=COC(=C)C(O)=O
-22786	mol	O=COC#CC(O)=O
-22787	mol	OC(=O)C=CC(O)=O
-22788	mol	OC(=O)C#CC(O)=O
-22789	mol	OC(O)=C(C)C(O)=O
-22790	mol	OC(O)(C)CC(O)=O
-22791	mol	OC(=O)c(cc([SiH3])cc1Cl)c1Cl
-22792	mol	OC(=O)C(Cl)=C
-22793	mol	O=COC(Cl)=C=C
-22794	mol	OC(=O)C(Cl)=C=C
-22795	mol	OC(=O)C(Cl)=Cc1ccccc1
-22796	mol	O=COC(Cl)=C=CO
-22797	mol	O=COC=CN
-22798	mol	O=COC(=C)N
-22799	mol	OC(=O)C=CN
-22800	mol	OC(=O)C(C#N)C=C=C
-22801	mol	OC(=O)c(c(N)ccc1N)c1N
-22802	mol	OC(=O)C(C#N)=C=CC=C=C
-22803	mol	OC(=O)C(C#N)=CC#CC=C
-22804	mol	OC(=O)C(C#N)C#CC=O
-22805	mol	OC(=O)C(=C)NC=O
-22806	mol	OC(=O)C(C)NC=O
-22807	mol	OC(=O)C(C(N)(C(O)=O)NC=O)C(=O)N
-22808	mol	O=COC#CN(F)NC(O)=O
-22809	mol	O=COCCN(NO)C(C)=C
-22810	mol	OC(=O)C(C#N)N(=O)=O
-22811	mol	O=COCC=O
-22812	mol	OC(=O)C(C)=O
-22813	mol	OC(O)=CC=O
-22814	mol	OC(O)(C)C=O
-22815	mol	OC(O)CC=O
-22816	mol	OC(OC=C)=O
-22817	mol	OC(OC#C)=O
-22818	mol	O=COc(co1)cc1C
-22819	mol	OC(=O)c(co1)cc1C
-22820	mol	OC(=O)c(co1)cc1C=C
-22821	mol	OC(=O)c(co1)cc1C#C
-22822	mol	OC(=O)c(co1)cc1Cl
-22823	mol	OC(=O)c(co1)cc1C#N
-22824	mol	OC(=O)c(co1)cc1C=O
-22825	mol	O=COc(co1)cc1F
-22826	mol	O=COc(co1)cc1O
-22827	mol	OC(=O)c(co1)cc1O
-22828	mol	OC(=O)c(co1)cc1OC=O
-22829	mol	O=COc(coc1C)c1C
-22830	mol	O=COc(coc1C)c1C=C
-22831	mol	O=COc(coc1C)c1C(O)=O
-22832	mol	OC(=O)c(coc1C)c1C(O)=O
-22833	mol	O=COc(coc1C)c1O
-22834	mol	OC(=O)c(coc1C)c1O
-22835	mol	O=COc(coc1C)c1OC=O
-22836	mol	OC(=O)C(C=O)c1ccccc1
-22837	mol	OC(=O)C#COC1CCCCC1
-22838	mol	O=COC#COC1CCOC1
-22839	mol	O=COC#COC1C=COC1
-22840	mol	OC(=O)c(coc1C=O)c1C=C
-22841	mol	OC(=O)c(coc1C=O)c1C#N
-22842	mol	O=COC=C(O)c1cocc1
-22843	mol	OC(=O)C=COc1cocc1
-22844	mol	OC(=O)C#COc1cocc1
-22845	mol	O=COc(coc1F)c1Br
-22846	mol	O=COc(coc1O)c1C
-22847	mol	OC(=O)c(coc1O)c1C
-22848	mol	O=COc(coc1O)c1C=C
-22849	mol	OC(=O)c(coc1O)c1C=C
-22850	mol	OC(=O)c(coc1O)c1C=O
-22851	mol	OC(=O)c(coc1O)c1C(O)=O
-22852	mol	O=COc(coc1O)c1O
-22853	mol	O=COc(coc1O)c1OC=O
-22854	mol	O=COC=C(O)c1occc1
-22855	mol	O=COC(=CO)C=C
-22856	mol	OC(=O)C=C(O)C#C
-22857	mol	OC(O)(C)C(O)C=C
-22858	mol	OC(O)CC(O)(C)C
-22859	mol	OC(=O)C(C=O)=CC=C
-22860	mol	OC(=O)c(c(O)ccc2C1CCCO1)c2C
-22861	mol	OC(=O)C(C=O)=CC=C=C
-22862	mol	OC(O)CC(O)(C)C(C)C
-22863	mol	OC(=O)C(C=O)=C(C=C)C=C
-22864	mol	OC(=O)C(C=O)=C=CN(=O)=O
-22865	mol	OC(=O)C(C=O)=C(C=O)C=O
-22866	mol	O=COC=COC=O
-22867	mol	O=COC(=CO)C=O
-22868	mol	O=COC#COC=O
-22869	mol	O=COCCOC=O
-22870	mol	OC(O)=C(C=O)C=O
-22871	mol	OC(O)(C)COC=O
-22872	mol	O=COC=C(OC=O)C=C
-22873	mol	O=COC#COC(=O)C=C
-22874	mol	O=COC#COC(=O)C#C
-22875	mol	OC(=O)C#COC(=O)C=C
-22876	mol	OC(=O)C#COC(=O)C#C
-22877	mol	O=COC=COC(=O)C=O
-22878	mol	O=COC#COC(=O)C=O
-22879	mol	O=COC=C(OC=O)C(O)=O
-22880	mol	O=COC#COC(=O)C(O)=O
-22881	mol	O=COC#COC(OC=O)=O
-22882	mol	OC(=O)C=COC(=O)C(O)=O
-22883	mol	O=COC=C(O)C(O)=O
-22884	mol	OC(=O)C=C(O)C(O)=O
-22885	mol	OC(OC#COC=O)=O
-22886	mol	O=COC=C(OC=O)OC=O
-22887	mol	O=COC=C(ONC=O)C=C
-22888	mol	OC(=O)C=C(O)NN
-22889	mol	OC(O)(C)C(O)=O
-22890	mol	OC(O)CC(O)=O
-22891	mol	OC(OC(C)=O)=O
-22892	mol	O=COc(c(O)oc1C)c1O
-22893	mol	O=COC(C(O)=O)=CC(O)=O
-22894	mol	OC(=O)C(C(O)=O)C(N)(N)C(=O)N
-22895	mol	O=COC(C(O)=O)=C(O)C(O)=O
-22896	mol	OC(OCC(O)=O)=O
-22897	mol	OC(=O)C(F)=CC1CC=CO1
-22898	mol	O=COC(F)=C=CCl
-22899	mol	OC(O)C(F)(F)C
-22900	mol	OC(O)C(F)(F)C(F)(F)F
-22901	mol	OC(O)C(F)(O)C
-22902	mol	OC(O)C(F)(O)C=C
-22903	mol	OC(O)C(F)(O)O
-22904	mol	OC(=O)C#N
-22905	mol	O=COC(N)=CC=C=C
-22906	mol	OC(=O)C(N)(C(N)C(=O)N)NC=O
-22907	mol	OC(=O)C(N)(C(N)(N)C(=O)N)NC=O
-22908	mol	OC(=O)C(N)C(=O)N
-22909	mol	OC(O)C(N)C(O)=O
-22910	mol	OC(=O)C(N)(N)C(=O)N
-22911	mol	OC(OC#N)=O
-22912	mol	OC(=O)CN(=O)=O
-22913	mol	O=COC=O
-22914	mol	OC(=O)C=O
-22915	mol	OC(O)C=O
-22916	mol	OCOC=O
-22917	mol	OC(=O)C(O)=C
-22918	mol	O=COc(oc1)cc1C
-22919	mol	OC(=O)c(oc1)cc1C
-22920	mol	OC(=O)c(oc1)cc1C=C
-22921	mol	OC(=O)c(oc1)cc1C#C
-22922	mol	OC(=O)c(oc1)cc1Cl
-22923	mol	OC(=O)c(oc1)cc1C=O
-22924	mol	O=COc(oc1)cc1F
-22925	mol	O=COc(oc1)cc1O
-22926	mol	OC(=O)c(oc1)cc1O
-22927	mol	O=COc(oc1C)cc1C=C
-22928	mol	O=COc(oc1C)cc1C#C
-22929	mol	O=COc(oc1C)cc1C=O
-22930	mol	O=COc(oc1C)cc1OC=O
-22931	mol	O=COc(oc1C)c(C)c1C
-22932	mol	OC(=O)c(oc1C)c(C)c1O
-22933	mol	O=COC(=O)c1ccccc1
-22934	mol	OC(O)=C(O)c1ccccc1
-22935	mol	OC(OC=O)c1ccccc1
-22936	mol	OC(O)=C(O)c1ccccc1C
-22937	mol	OC(=O)C(O)(c1ccccc1)C(=O)N
-22938	mol	OC(=O)C(Oc1ccccc1)=O
-22939	mol	O=COC(OC1CCCCC1)=O
-22940	mol	OC(=O)C(OC1CCCCC1)=O
-22941	mol	O=COC(=O)C1=CCCO1
-22942	mol	OC(O)=C(O)C1CC=CO1
-22943	mol	O=COC(OC1CC=CO1)=O
-22944	mol	O=COC(OC1CCCO1)=O
-22945	mol	OC(=O)C(OC1=CCCO1)=O
-22946	mol	OC(=O)C(OC1CC=CO1)=O
-22947	mol	OC(O)=C(O)C1C=COC1
-22948	mol	O=COC(=O)c1cocc1
-22949	mol	O=COC(=O)C1=COCC1
-22950	mol	O=COc(oc1C=O)cc1C=C
-22951	mol	OC(=O)C(Oc1cocc1)=O
-22952	mol	O=COc(oc1F)cc1Br
-22953	mol	O=COc(oc1O)cc1C=C
-22954	mol	OC(=O)c(oc1O)cc1C=C
-22955	mol	O=COc(oc1O)cc1OC=O
-22956	mol	O=COC(=O)c1occc1
-22957	mol	O=COc(oc1O)c(C)c1C
-22958	mol	O=COC(=O)c1occc1O
-22959	mol	OC(=O)C(Oc1occc1)=O
-22960	mol	OC(=O)c(oc1O)c(O)c1C=O
-22961	mol	O=COC(=O)C=C
-22962	mol	O=COC(=O)C#C
-22963	mol	OC(=O)C(=O)C#C
-22964	mol	OC(=O)C(O)=C=C
-22965	mol	OC(OC=O)C=C
-22966	mol	O=COC(OCC1)=C1C
-22967	mol	O=COc(occ1C)c1C
-22968	mol	O=COc(occ1C)c1C=C
-22969	mol	OC(=O)c(occ1C)c1C=C
-22970	mol	O=COc(occ1C)c1C(O)=O
-22971	mol	O=COc(occ1C)c1O
-22972	mol	O=COc(occ1C)c1OC=O
-22973	mol	OC(=O)c(occ1C=C)c1C
-22974	mol	OC(=O)c(occ1C#C)c1C
-22975	mol	OC(=O)c(occ1C#C)c1C=C
-22976	mol	OC(=O)c(occ1C#C)c1C#C
-22977	mol	O=COC(=O)Cc1ccccc1
-22978	mol	OC(=O)C(O)=Cc1ccccc1
-22979	mol	OC(OC=O)=CC1CCCCC1
-22980	mol	OC(=O)C(O)=CC1CCCO1
-22981	mol	O=COC(=O)C(C1CCCO1)=O
-22982	mol	O=COC(OCC1=CCCO1)=O
-22983	mol	O=COC(=O)C(C1CCOC1)=C
-22984	mol	O=COC(=O)C(C1CCOC1)=O
-22985	mol	OC(=O)c(occ1C=O)c1C=C
-22986	mol	OC(=O)c(occ1C=O)c1O
-22987	mol	O=COC(=O)C(c1cocc1)=O
-22988	mol	OC(OC(=O)Cc1cocc1)=O
-22989	mol	O=COc(occ1O)c1C
-22990	mol	OC(=O)c(occ1O)c1C
-22991	mol	O=COc(occ1O)c1C=C
-22992	mol	O=COc(occ1O)c1O
-22993	mol	OC(=O)c(occ1O)c1O
-22994	mol	O=COc(occ1O)c1OC=O
-22995	mol	O=COC(=O)Cc1occc1
-22996	mol	O=COC(=O)C#CC
-22997	mol	O=COC(O)=CC=C
-22998	mol	O=COC(O)=CC#C
-22999	mol	OC(=O)C(O)=CC#C
-23000	mol	OC(=O)C(=O)C#CC1CCOC1
-23001	mol	O=COC(=O)C#Cc1cocc1
-23002	mol	O=COC(=O)C=Cc1occc1
-23003	mol	OC(=O)C(O)(C=C)c1occc1
-23004	mol	O=COC(=O)C=CC=C
-23005	mol	O=COC(=O)C#CC#C
-23006	mol	O=COC(=O)c(ccc1)cc1O
-23007	mol	O=COC(OC=C)=CC=C
-23008	mol	OC(OC=O)C(C)C=CC#C
-23009	mol	OC(=O)C(=O)C(CCCCC1CCCCC1)=O
-23010	mol	O=COC(=O)C#CC#CO
-23011	mol	O=COC(=O)C=CC=O
-23012	mol	O=COC(=O)C#CC=O
-23013	mol	OC(=O)C(=O)C#CC=O
-23014	mol	O=COC(=O)C=CC(O)=O
-23015	mol	OC(=O)C(O)=C(C)C(O)=O
-23016	mol	OC(=O)C(OC#CC=O)=O
-23017	mol	O=COC(=O)C=CO
-23018	mol	O=COC(=O)C(C)=O
-23019	mol	O=COC(O)=CC=O
-23020	mol	O=COC(OC=C)=O
-23021	mol	OC(=O)C(O)=CC=O
-23022	mol	O=COC(=O)c(co1)cc1O
-23023	mol	OC(OC=O)(CC=O)CC=O
-23024	mol	OC(OC=O)(CC=O)CC(=O)N
-23025	mol	OC(=O)C(=O)C#COC(=O)C=C
-23026	mol	O=COC(O)=CC(O)=O
-23027	mol	OC(OC(OC=C)=O)=O
-23028	mol	OC(=O)C(O)=CN
-23029	mol	O=COC(=O)C=O
-23030	mol	O=COCOC=O
-23031	mol	OC(=O)C(=O)C=O
-23032	mol	OC(O)=COC=O
-23033	mol	OC(O)(C)OC=O
-23034	mol	OC(OC=O)C=O
-23035	mol	O=COC(OC=O)=C
-23036	mol	O=C(OC(=O)C=O)c1cocc1
-23037	mol	OC(O)(COC=O)c1cocc1
-23038	mol	OC(OC=O)C(O)c1cocc1
-23039	mol	O=COC(OC=O)C=C
-23040	mol	O=COC(OC=O)=CC=C
-23041	mol	O=COC(OC=O)=C(C)C#C
-23042	mol	O=COC(OC=O)=CC=O
-23043	mol	OC(=O)C(OC(=O)C=C)=O
-23044	mol	O=COC(OC=O)=CC(O)=O
-23045	mol	OC(=O)C(=O)C(=O)C=O
-23046	mol	OC(OC=O)=COC=O
-23047	mol	O=COC(=O)C(OC=O)=O
-23048	mol	OC(=O)C(OC(=O)C=O)=O
-23049	mol	OC(=O)COC(=O)C(O)=O
-23050	mol	OC(=O)C(OC=O)(C(O)=O)C(N)(N)C(=O)N
-23051	mol	O=COC(OC(OC=O)=O)=O
-23052	mol	OC(OC(OC(OC=O)=O)=O)=O
-23053	mol	OC(=O)C(O)C(=O)N
-23054	mol	OC(=O)C(OC(=O)N)=O
-23055	mol	O=COC(=O)C(O)=O
-23056	mol	O=COC(OC=O)=O
-23057	mol	OC(=O)C(=O)C(O)=O
-23058	mol	OC(O)(C=O)C(O)=O
-23059	mol	OCOC(OC=O)=O
-23060	mol	OC(OC(OC=O)=O)=O
-23061	mol	O=COC(=O)N
-23062	mol	OC(O)C(=O)N
-23063	mol	O=COC(=O)NC1CCCCCCC1
-23064	mol	OC(=O)C(O)NC=O
-23065	mol	O=COC(=O)NC(O)=O
-23066	mol	O=COC(=O)NN
-23067	mol	OC(=O)C(O)(N)NC(=O)N
-23068	mol	O=COC(=O)N(N)C(O)=O
-23069	mol	O=COC(=O)NO
-23070	mol	O=C(OC(=O)N)OC(=O)NC=O
-23071	mol	OC(=O)C(O)=O
-23072	mol	OC(O)C(O)=O
-23073	mol	OC(OC=O)=O
-23074	mol	O=COC(=O)Oc1ccccc1
-23075	mol	O=COC(=O)Oc1cocc1
-23076	mol	O=COC(=O)Oc1occc1
-23077	mol	O=COC(=O)OC=CC=C
-23078	mol	O=COC(=O)OC(=C)C=C
-23079	mol	O=COC(=O)OC#CC=C
-23080	mol	O=COC(=O)OC#CC#C
-23081	mol	O=COC(=O)OC#CC#CC=O
-23082	mol	O=COC(=O)OC#CC(O)=O
-23083	mol	OC(OC=O)OC=O
-23084	mol	O=COC(=O)OC(=O)C(OC)=O
-23085	mol	OC(OC=O)(OC=O)C(O)=O
-23086	mol	O=COC(=O)OC(=O)C(OO)=O
-23087	mol	O=COC(=O)OC(=O)NO
-23088	mol	OC(OC=O)(OC=O)OC=O
-23089	mol	OC(OC(O)=O)=O
-23090	mol	O=COC(=O)OOC(=O)C=C
-23091	mol	OC(=O)C([SiH3])=C(Br)C=O
-23092	mol	OC(=O)N
-23093	mol	OC(=O)N1CCCCC1
-23094	mol	O=CONc1ccccc1
-23095	mol	OC(=O)Nc1ccccc1
-23096	mol	OC(=O)NC1CCCCC1
-23097	mol	OC(=O)N(C1CCCCC1)C=C
-23098	mol	OC(=O)N(C1CCCCC1)N
-23099	mol	OC(=O)NC1CCCCCCC1
-23100	mol	O=CONC=C
-23101	mol	OC(=O)NC=C
-23102	mol	OC(=O)N(C=C=C)N(=O)=O
-23103	mol	OC(=O)N(C)C=O
-23104	mol	OC(=O)N(C)C(O)=O
-23105	mol	OC(O)(N)CC(O)=O
-23106	mol	O=CONC=O
-23107	mol	OC(=O)NC=O
-23108	mol	OC(=O)NC(=O)C=C
-23109	mol	OC(=O)NC(=O)C=O
-23110	mol	O=CON(C=O)C(O)=O
-23111	mol	OC(=O)N(C=O)C(O)=O
-23112	mol	O=CONC(=O)N
-23113	mol	OC(=O)NC(=O)N
-23114	mol	O=CON(C=O)NC=O
-23115	mol	O=CONC(=O)NC=O
-23116	mol	OC(=O)NC(=O)NC=O
-23117	mol	OC(=O)NC(=O)NN
-23118	mol	OC(=O)NC(=O)N(N)N
-23119	mol	OC(=O)NC(=O)N(O)N
-23120	mol	O=CONC(O)=O
-23121	mol	OC(=O)NC(O)=O
-23122	mol	O=CON(C(O)=O)C(C)=O
-23123	mol	OC(=O)N(C(O)=O)C(=O)N
-23124	mol	OC(=O)N(C(O)=O)C(O)=O
-23125	mol	O=CON(C(O)=O)NC=O
-23126	mol	OC(=O)N(F)C=O
-23127	mol	OC(=O)N(F)C(=O)C=O
-23128	mol	O=CONN
-23129	mol	OC(=O)NN
-23130	mol	OC(O)(N)N
-23131	mol	OC(=O)NNC=O
-23132	mol	OC(=O)N(N)C(=O)C=O
-23133	mol	OC(=O)N(NC=O)C(=O)N
-23134	mol	O=C(ONNC=O)N
-23135	mol	OC(=O)N(N)C(=O)N
-23136	mol	OC(=O)N(N)C(=O)N(N)N
-23137	mol	OC(=O)N(N)C(O)=O
-23138	mol	OC(=O)N(N)N
-23139	mol	O=CONN(N)C(=O)N
-23140	mol	OC(=O)NN(N)C(=O)N
-23141	mol	OC(=O)N(N)N(C(=O)N)C(=O)N
-23142	mol	OC(=O)N(N)NNC(=O)N
-23143	mol	OC(=O)N(N)NNN
-23144	mol	OC(=O)NOc1ccccc1
-23145	mol	OC(=O)N(O)C=C
-23146	mol	OC(=O)N(O)C=O
-23147	mol	O=CONOC(=O)C(OO)=O
-23148	mol	OC(=O)N(O)C(=O)NN
-23149	mol	OC(=O)N(O)C(=O)N(N)N
-23150	mol	OC(=O)N(O)C(O)=O
-23151	mol	O=CON(=O)=O
-23152	mol	OC(=O)N(=O)=O
-23153	mol	OC(O)O
-23154	mol	OC(O)=O
-23155	mol	OC(O)(O)C
-23156	mol	O=COOc1ccccc1
-23157	mol	OC(=O)Oc1ccccc1
-23158	mol	O=COOC1CCCCC1
-23159	mol	O=COOc1ccccc1O
-23160	mol	OC(=O)Oc1ccccc1O
-23161	mol	OC(OOc1ccccc1)=O
-23162	mol	OC(=O)Oc1cc(C#C)oc1
-23163	mol	O=COOC1CCCO1
-23164	mol	OC(=O)Oc1ccncc1
-23165	mol	O=COOc1cocc1
-23166	mol	OC(=O)Oc1cocc1
-23167	mol	OC(=O)Oc1cocc1C=O
-23168	mol	OC(=O)Oc1c(O)cccc1O
-23169	mol	OC(=O)Oc1occc1
-23170	mol	OC(=O)Oc2cc(ccc2)c1ccccc1
-23171	mol	O=COOC=C
-23172	mol	O=COOC(C1CCCCC1)=O
-23173	mol	OC(=O)OC=C=C
-23174	mol	OC(=O)Oc(cc1)ccc1N
-23175	mol	O=COOC#CC#C
-23176	mol	OC(=O)OC=CC=C
-23177	mol	OC(=O)OC=CC#C
-23178	mol	OC(=O)OC#CC#C
-23179	mol	OC(=O)Oc(ccc1)cc1N
-23180	mol	OC(=O)Oc(ccc1)cc1O
-23181	mol	OC(=O)OC#CC=O
-23182	mol	OC(OOC#C)=O
-23183	mol	OC(OOC(C)=O)=O
-23184	mol	O=COOC=O
-23185	mol	O=COOC(=O)c1ccccc1
-23186	mol	O=COOC(=O)C1=CCCO1
-23187	mol	OC(=O)OC(=O)C1=CCCO1
-23188	mol	O=COOC(=O)c1cocc1
-23189	mol	O=COOC(=O)c1occc1
-23190	mol	O=COOC(=O)C=C
-23191	mol	O=COOC(=O)C#C
-23192	mol	OC(=O)OC(=O)C=C
-23193	mol	OC(=O)OC(=O)C#C
-23194	mol	OC(O)(OC=O)C=C
-23195	mol	OC(=O)OC(=O)C#CC#CC
-23196	mol	O=COOC(=O)C#CO
-23197	mol	OC(O)(O)C(O)(CC=O)C(O)=O
-23198	mol	OC(O)(O)C(O)(C)C(O)=O
-23199	mol	O=COOC(=O)C=O
-23200	mol	OC(=O)OC(=O)C=O
-23201	mol	OC(O)(OC=O)C=O
-23202	mol	OC(=O)OC(O)=C(OC=O)C=C
-23203	mol	O=COOC(=O)C(OC=O)=O
-23204	mol	OC(=O)OC(=O)C(OC=O)=O
-23205	mol	O=COOC(=O)C(O)=O
-23206	mol	O=COOC(OC=O)=O
-23207	mol	OC(=O)OC(=O)C(O)=O
-23208	mol	OC(=O)OC(=O)C(OO)=O
-23209	mol	O=COOC(=O)N
-23210	mol	OC(=O)OC(=O)N
-23211	mol	OC(=O)OC(=O)NC=O
-23212	mol	OC(=O)OC(=O)NO
-23213	mol	OC(O)(O)C(O)=O
-23214	mol	OC(OOC=O)=O
-23215	mol	OC(=O)ONC=O
-23216	mol	OC(=O)ONC(=O)NO
-23217	mol	OC(=O)ONC(=O)N(O)N
-23218	mol	OC(=O)ONC(O)=O
-23219	mol	O=COOOC=O
-23220	mol	O=COOOC(=O)c1occc1
-23221	mol	O=COOOC(=O)C#C
-23222	mol	OC(OOOC=O)=O
-23223	mol	OC(=O)[Si](C=O)(C=O)N(=O)=O
-23224	mol	OC(=O)[Si](F)(F)C(C#C)=C=C
-23225	mol	OC(=O)[SiH2]c1ccccc1
-23226	mol	OC(=O)[SiH2]c1cocc1
-23227	mol	O=CO[SiH2]C=C
-23228	mol	O=CO[SiH2]C=C=C
-23229	mol	OC(=O)[SiH2]C=C=C
-23230	mol	OC(=O)[SiH](C1CC=CO1)C=C=C
-23231	mol	OC(=O)[SiH](C=C=C)C=C=C
-23232	mol	OC(=O)[SiH](C=O)N(=O)=O
-23233	mol	O=C[Si](C1CCCO1)(C=O)C=C
-23234	mol	OC([SiH2]C1CCCCC1)=O
-23235	mol	O=C[SiH2]C1CCCO1
-23236	mol	O=C[SiH2]C1=CCCO1
-23237	mol	O=C[SiH2]C1CC=CO1
-23238	mol	O=C[SiH2]C1C=COC1
-23239	mol	O=C[SiH2]c1cocc1
-23240	mol	O=C[SiH2]c1occc1
-23241	mol	O=C[SiH2]C=C=C
-23242	mol	OC([SiH2]C=C)=O
-23243	mol	OC([SiH2]C#C)=O
-23244	mol	OC([SiH2]C#N)=O
-23245	mol	O=C[SiH2]C=O
-23246	mol	OC([SiH2]C=O)=O
-23247	mol	O=C[SiH2]N(=O)=O
-23248	mol	OC([SiH3])=C=C
-23249	mol	OC([SiH3])=C=C(C1CC=CO1)C=C
-23250	mol	OC([SiH3])=C=CC=C
-23251	mol	OC([SiH3])=C(F)c1ccccc1O
-23252	mol	OC([SiH3])=O
-23253	mol	O=C[SiH](C1CCCCC1)C=O
-23254	mol	O=C[SiH](C1CCCCN1)N(=O)=O
-23255	mol	O=C[SiH](C1CCCO1)C=C
-23256	mol	O=C[SiH](C1CC=CO1)N(=O)=O
-23257	mol	O=C[SiH](C1CCNCC1)N(=O)=O
-23258	mol	OC([SiH](C1CCOC1)C=O)=O
-23259	mol	O=C[SiH](C=C)c1ccccc1
-23260	mol	O=C[SiH](C=C=C)C=C=C
-23261	mol	O=C[SiH](C=C)C(=C=C)C(O)=O
-23262	mol	O=C[SiH](C=O)C=O
-23263	mol	ON
-23264	mol	ONC
-23265	mol	ONc1ccccc1
-23266	mol	ONC1CCCCC1
-23267	mol	ONC1CCCCC1C
-23268	mol	ON(C1CCCCC1)C=O
-23269	mol	ON(c1ccccc1)C(=O)N
-23270	mol	ON(c1ccccc1)C(O)=O
-23271	mol	ON(C1CCCCC1)C(O)=O
-23272	mol	ON(C1CCCCC1)N
-23273	mol	O=N(c1ccccc1)=O
-23274	mol	O=N(C1CCCCC1)=O
-23275	mol	ON(C1CCCCCCC1)C(=O)NN
-23276	mol	O=N(c1ccccn1)=O
-23277	mol	O=N(c1cccnc1)=O
-23278	mol	O=N(C1CC=CO1)=O
-23279	mol	O=N(C1CCCO1)=O
-23280	mol	O=N(c1ccncc1)=O
-23281	mol	O=N(C1CCNCC1)=O
-23282	mol	O=N(C1C=COC1)=O
-23283	mol	O=N(C1CCOC1)=O
-23284	mol	O=N(C1OC=CC1N(=O)=O)=O
-23285	mol	ONCC
-23286	mol	ONC=C
-23287	mol	O=N(CC1CCCCC1)=O
-23288	mol	O=N(Cc1ccccn1)=O
-23289	mol	O=N(CC1CCCCN1)=O
-23290	mol	ONCCC
-23291	mol	ONC=C=C
-23292	mol	ONC(C)C
-23293	mol	ONCCCC
-23294	mol	ON(C=C)C=C
-23295	mol	ONC(C)CC
-23296	mol	ONC(C)(C)C
-23297	mol	ONCC(C)C
-23298	mol	O=N(CCCc1ccccn1)=O
-23299	mol	ONCCCCC
-23300	mol	ONC(C)(C)CC
-23301	mol	ONCC(CC)CCC
-23302	mol	ONC(C)(C)C(O)=O
-23303	mol	ONC(CC)NC=O
-23304	mol	ON(C=C)C(=O)C=C
-23305	mol	ON(C=C)C(=O)N
-23306	mol	ON(C)C(=O)C=C
-23307	mol	O=N(CCOC(=O)C=C=C)=O
-23308	mol	ON(C)C(=O)NC=O
-23309	mol	ONCC(O)=O
-23310	mol	ONCl
-23311	mol	ON(C)N
-23312	mol	ON(C#N)C=C=C
-23313	mol	ONC(N)(C)CC
-23314	mol	ONC(N)C(CC)C=O
-23315	mol	ONC(N)C(N)(CC)C=O
-23316	mol	ONC(N)(C(O)C=O)C(O)=O
-23317	mol	ONC=O
-23318	mol	ON(C=O)C=C
-23319	mol	ON(C=O)C(C1CCCCC1)=O
-23320	mol	ON(C=O)C=O
-23321	mol	ONCOC=O
-23322	mol	ON(C=O)C(=O)C(=O)N
-23323	mol	ON(C=O)C(=O)N
-23324	mol	ONC(=O)C(O)=O
-23325	mol	ONC(=O)N
-23326	mol	ON(C=O)NC=O
-23327	mol	ONC(=O)NN
-23328	mol	ONC(O)=O
-23329	mol	O[NH](CC#N)=O
-23330	mol	O[NH](C[NH](O)=O)=O
-23331	mol	O[NH](C)=O
-23332	mol	O=[NH]=O
-23333	mol	O[NH](=O)c1ccccc1
-23334	mol	O[NH](=O)C=C
-23335	mol	O[NH](=O)c(cc1F)cc(O)c1F
-23336	mol	O[NH](=O)c(ccc1F)c(F)c1F
-23337	mol	O[NH](=O)C#N
-23338	mol	O[NH](=O)C=O
-23339	mol	O[NH](O)=O
-23340	mol	ONN
-23341	mol	ON(N)c1ccccc1
-23342	mol	ON(N)c1cocc1
-23343	mol	ON(N)C(Br)=O
-23344	mol	ON(N)C=O
-23345	mol	ONNC=O
-23346	mol	ON(N)C(=O)C=C
-23347	mol	ON(N)C(=O)N
-23348	mol	ON(N)C(=O)NC1CCCCCCC1
-23349	mol	ON(N)C(=O)NN
-23350	mol	ON(NC=O)N(N)C=O
-23351	mol	ON(N)N
-23352	mol	ON(NN)C(=O)N
-23353	mol	ONN(N)C(=O)N
-23354	mol	ON(N)NN
-23355	mol	ONO
-23356	mol	O=N(=O)c1cc(ccc1)N(=O)=O
-23357	mol	O=N(=O)c1ccccc1N(=O)=O
-23358	mol	O=N(OC1CC=CO1)=O
-23359	mol	O=N(=O)c1ccoc1N(=O)=O
-23360	mol	O=N(=O)c1cocc1
-23361	mol	O=N(=O)c1occc1
-23362	mol	O=N(=O)c1oc(cc1)N(=O)=O
-23363	mol	O=N(=O)c2c1ccccc1oc2
-23364	mol	O=N(=O)c2c1ccoc1ccc2
-23365	mol	O=N(=O)c2c1occc1ccc2
-23366	mol	O=N(=O)c2oc1ccccc1c2
-23367	mol	ONOCCC
-23368	mol	O=N(=O)C=Cc1ccccc1
-23369	mol	O=N(=O)C=CC1CCCCC1
-23370	mol	O=N(=O)C#CC1CCCCN1
-23371	mol	O=N(=O)C#Cc1occc1
-23372	mol	O=N(=O)C=C=CC1CCCCC1
-23373	mol	O=N(=O)C=C=CC1CCCNC1
-23374	mol	O=N(=O)C=C=Cc1cocc1
-23375	mol	O=N(=O)C=C=CC1=COCC1
-23376	mol	O=N(=O)C=C=Cc1occc1
-23377	mol	ONOC(CCC)CCC
-23378	mol	O=N(=O)C=C=C(C=C)N(=O)=O
-23379	mol	O=N(=O)C=C=C(N(=O)=O)N(=O)=O
-23380	mol	O=N(=O)C#CN(=O)=O
-23381	mol	ONOC=O
-23382	mol	O=N(OC(=O)C#C)=O
-23383	mol	O=N(OC(=O)C#N)=O
-23384	mol	O=N(=O)N
-23385	mol	O=N(=O)N(=O)=O
-23386	mol	ON(=O)=O
-23387	mol	O=N(=O)OC(=O)C=C
-23388	mol	O=N(=O)[SiH2]C(C#C)=C=C
-23389	mol	O=N([SiH2]C1CCCCC1)=O
-23390	mol	O=N([SiH2]C1CCCNC1)=O
-23391	mol	O=N([SiH2]C1=CCCO1)=O
-23392	mol	O=N([SiH2]C1CC=CO1)=O
-23393	mol	O=N([SiH2]c1cocc1)=O
-23394	mol	O=N([SiH2]c1occc1)=O
-23395	mol	O=N([SiH2]N(=O)=O)=O
-23396	mol	OO
-23397	mol	OOC
-23398	mol	OOc1ccccc1
-23399	mol	OOC1CCCCC1
-23400	mol	OOC1CCCCC1C=O
-23401	mol	OOC1CC=CO1
-23402	mol	OOc1cocc1
-23403	mol	OOc1occc1
-23404	mol	OOCC
-23405	mol	OOC=C
-23406	mol	OOC#C
-23407	mol	OOCCC
-23408	mol	OOC(C)C
-23409	mol	OOCCCC
-23410	mol	OOC(C)CC
-23411	mol	OOC#CC#C
-23412	mol	OOCC(C)C
-23413	mol	OOCCCC(C)CC
-23414	mol	OOC(C)(CC)C=O
-23415	mol	OOC(C)C(C)C=O
-23416	mol	OOC#CC(=O)C#C
-23417	mol	OOC(C)=O
-23418	mol	OOC=O
-23419	mol	OOC(=O)C#C
-23420	mol	OOC(=O)c(ccc1)cc1O
-23421	mol	OOC(OC(C(C)C)=O)=O
-23422	mol	OOC(=O)C=O
-23423	mol	OOC(=O)C(OC(=O)C(O)=O)=O
-23424	mol	OOC(=O)C(=O)C(O)=O
-23425	mol	OOC(=O)C(OC=O)=O
-23426	mol	OOC(=O)C(ON)=O
-23427	mol	OOC(=O)C(O)=O
-23428	mol	OOC(OC=O)=O
-23429	mol	OOC(=O)C(OO)=O
-23430	mol	OOC(=O)N
-23431	mol	OOC(=O)Nc1ccccc1
-23432	mol	OOC(O)=O
-23433	mol	OOC(=O)OC(=O)C(OC=O)=O
-23434	mol	OOC(=O)OC(=O)C(O)=O
-23435	mol	OOC(=O)OC(=O)NC=O
-23436	mol	OONC=O
-23437	mol	OONC(OC(OC=O)=O)=O
-23438	mol	OOOC#C
-23439	mol	OOOC(C)CC
-23440	mol	OOOC=O
-23441	mol	O[Si](Br)(C#N)N(=O)=O
-23442	mol	O[Si](C1CC=CO1)(C#N)C=C=C
-23443	mol	O[Si](C=O)(C=C=C)C=C=C
-23444	mol	O[SiH2]C
-23445	mol	O[SiH2]C1CC=CO1
-23446	mol	O[SiH2]c1cocc1
-23447	mol	O[SiH2]c1oc(c(Br)c1Br)N(=O)=O
-23448	mol	O[SiH2]C=C=C
-23449	mol	O[SiH2]C(C)C
-23450	mol	O[SiH2]Cl
-23451	mol	O[SiH2]N
-23452	mol	O[SiH](Br)C1CC=CO1
-23453	mol	O[SiH](Br)c1occc1
-23454	mol	O[SiH](Br)C#N
-23455	mol	O[SiH](Br)C=O
-23456	mol	O[SiH](Br)N(=O)=O
-23457	mol	O[SiH](C1CC=CO1)C=O
-23458	mol	O[SiH](C2CC=CO2)C1CC=CO1
-23459	mol	O[SiH](C#C)C=O
-23460	mol	O[SiH](C#N)N(=O)=O
-23461	mol	O[Si]([SiH3])(Br)C=O
-23462	mol	[SiH2](c2ccccc2)c1occc1
-23463	mol	[SiH2](C2CC=CO2)C1CC=CO1
-23464	mol	[SiH3]Br
-23465	mol	[SiH3]C
-23466	mol	[SiH3]C1(Br)CC=CO1
-23467	mol	[SiH3]C1(Br)OCCC1C=C=C
-23468	mol	[SiH3]c1cc(Br)ccc1
-23469	mol	[SiH3]C1CC(Br)=CO1
-23470	mol	[SiH3]c1cc(Br)oc1
-23471	mol	[SiH3]c1ccc(Br)cc1
-23472	mol	[SiH3]c1ccccc1
-23473	mol	[SiH3]C1CCCCC1
-23474	mol	[SiH3]c1ccccc1Br
-23475	mol	[SiH3]C1CCCCC1Br
-23476	mol	[SiH3]c1ccccc1C#C
-23477	mol	[SiH3]c1ccccc1C=C=C
-23478	mol	[SiH3]c1cc(ccc1C#C)C=C=C
-23479	mol	[SiH3]c1cc(ccc1)N(=O)=O
-23480	mol	[SiH3]c1cccc(c1O)C=C=C
-23481	mol	[SiH3]c1cc(C=C)ccc1
-23482	mol	[SiH3]c1cc(C#C)ccc1
-23483	mol	[SiH3]C1CCCCN1
-23484	mol	[SiH3]c1cc(ccn1)N(=O)=O
-23485	mol	[SiH3]c1cc(C#C)oc1
-23486	mol	[SiH3]c1cccnc1
-23487	mol	[SiH3]c1ccc(nc1C=C)N(=O)=O
-23488	mol	[SiH3]c1ccc(nc1O)N(=O)=O
-23489	mol	[SiH3]C1CCCO1
-23490	mol	[SiH3]C1=CCCO1
-23491	mol	[SiH3]C1CC=CO1
-23492	mol	[SiH3]C1(CC=CO1)C#N
-23493	mol	[SiH3]c1cc(C=O)ccc1C=C=C
-23494	mol	[SiH3]C1CCNCC1
-23495	mol	[SiH3]C1(CCNCC1)C=O
-23496	mol	[SiH3]C1C=COC1
-23497	mol	[SiH3]C1C=COC1(Br)C=C=C
-23498	mol	[SiH3]C1C=COC1C=C=C
-23499	mol	[SiH3]c1ccoc1C#N
-23500	mol	[SiH3]C1C=COC1C#N
-23501	mol	[SiH3]c1coc2c1cccc2Br
-23502	mol	[SiH3]c1coc(Br)c1C=C=C
-23503	mol	[SiH3]C1COC(Br)C1C=C=C
-23504	mol	[SiH3]c1coc(Br)c1Cl
-23505	mol	[SiH3]c1cocc1
-23506	mol	[SiH3]C1=COCC1
-23507	mol	[SiH3]c1cocc1Br
-23508	mol	[SiH3]c1cocc1C=C=C
-23509	mol	[SiH3]c1coc(Cl)c1Br
-23510	mol	[SiH3]c1nc(Br)ccc1
-23511	mol	[SiH3]c1nc(ccc1)N(=O)=O
-23512	mol	[SiH3]C1OC(Br)CC1
-23513	mol	[SiH3]c1occ(Br)c1Br
-23514	mol	[SiH3]c1oc(c(Br)c1Br)N(=O)=O
-23515	mol	[SiH3]c1occ(Br)c1C=C=C
-23516	mol	[SiH3]c1occc1
-23517	mol	[SiH3]C1OC=CC1C
-23518	mol	[SiH3]c1occc1C=C=C
-23519	mol	[SiH3]C1(OCCC1C=C=C)C=C=C
-23520	mol	[SiH3]C1OC=CC1O
-23521	mol	[SiH3]C1OCCC1(O)C#C
-23522	mol	[SiH3]C1(OC=CC1OC=O)C=O
-23523	mol	[SiH3]C1OC=C(C)C1(C)C#C
-23524	mol	[SiH3]C1OC=C(C)C1(Cl)C#C
-23525	mol	[SiH3]c1oc(C=C=C)c(C#N)c1Br
-23526	mol	[SiH3]c1oc(C=C=C)c(C#N)c1[SiH3]
-23527	mol	[SiH3]c1oc(C=C)c(C#N)c1[SiH3]
-23528	mol	[SiH3]c1occ(C#N)c1C=C=C
-23529	mol	[SiH3]c1oc(C#N)c(C=C=C)c1[SiH3]
-23530	mol	[SiH3]c1oc([SiH2]C=C=C)c(Br)c1Br
-23531	mol	[SiH3]c1oc([SiH3])c(Br)c1Br
-23532	mol	[SiH3]C1OC([SiH3])=CC1
-23533	mol	[SiH3]C1([SiH3])CC=CO1
-23534	mol	[SiH3]C1([SiH3])CCNCC1
-23535	mol	[SiH3]C2(Br)OCCC2C1C=COC1
-23536	mol	[SiH3]c2c1c(ccc2)occ1C
-23537	mol	[SiH3]C2(C1CCCCC1)CC=CO2
-23538	mol	[SiH3]c2c1ccccc1oc2
-23539	mol	[SiH3]c2c1ccoc1ccc2
-23540	mol	[SiH3]c2c1occc1ccc2
-23541	mol	[SiH3]c2cc1c(cc2)occ1Cl
-23542	mol	[SiH3]c2cc1occc1cc2
-23543	mol	[SiH3]c2ccc1ccoc1c2Br
-23544	mol	[SiH3]c2ccc1ccoc1c2C
-23545	mol	[SiH3]c2ccc1ccoc1c2C=C
-23546	mol	[SiH3]c2ccc1ccoc1c2Cl
-23547	mol	[SiH3]c2ccc1ccoc1c2[SiH3]
-23548	mol	[SiH3]c2cc(C1C=COC1)co2
-23549	mol	[SiH3]c2cccc1c2occ1C
-23550	mol	[SiH3]c2cccc1c2occ1F
-23551	mol	[SiH3]c2cccc1c2occ1[SiH3]
-23552	mol	[SiH3]c2ccccc2c1occc1
-23553	mol	[SiH3]c2cccnc2c1cocc1
-23554	mol	[SiH3]C2(CCCO2)C1CC=CO1
-23555	mol	[SiH3]c2ccoc2C1CCCCC1
-23556	mol	[SiH3]C2C=COC2C1CC=CO1
-23557	mol	[SiH3]c2ccoc2c1cocc1
-23558	mol	[SiH3]c2cc(oc2)c1cocc1
-23559	mol	[SiH3]c2cocc2c1ccccc1
-23560	mol	[SiH3]c2cocc2C1CCOC1
-23561	mol	[SiH3]c2cocc2c1cocc1
-23562	mol	[SiH3]c2oc1ccccc1c2
-23563	mol	[SiH3]C2OC=C(Br)C2C1CCCO1
-23564	mol	[SiH3]c2occc2C1C=COC1
-23565	mol	[SiH3]C(Br)=C
-23566	mol	[SiH3]C(Br)=C=CC=C=C
-23567	mol	[SiH3]C=C
-23568	mol	[SiH3]C#C
-23569	mol	[SiH3]C(C1CCCCC1)=C(F)C=O
-23570	mol	[SiH3]C(C1CCCO1)=C(Br)C=O
-23571	mol	[SiH3]C(C1CCCO1)=C(F)C=O
-23572	mol	[SiH3]Cc1ccncc1
-23573	mol	[SiH3]CC1C=COC1
-23574	mol	[SiH3]C(C1CCOC1)=C=C
-23575	mol	[SiH3]C(c1cocc1)=CC=C
-23576	mol	[SiH3]C(c1occc1)=C=C
-23577	mol	[SiH3]C(c1occc1)=C=C(Br)C=C
-23578	mol	[SiH3]C(C2)=C(OC2c1cocc1)N
-23579	mol	[SiH3]CC(Br)Br
-23580	mol	[SiH3]C=C(Br)C#C
-23581	mol	[SiH3]C=C=C
-23582	mol	[SiH3]c(cc1Br)oc1C=C=C
-23583	mol	[SiH3]C(CC1C=C=C)=CO1
-23584	mol	[SiH3]C#Cc1cc(co1)N(=O)=O
-23585	mol	[SiH3]CCc1ccncc1
-23586	mol	[SiH3]C(=C)c1ccncc1
-23587	mol	[SiH3]C#CC1C=COC1
-23588	mol	[SiH3]c(cc1Cl)cc(C=C=C)c1Cl
-23589	mol	[SiH3]C=Cc1cocc1
-23590	mol	[SiH3]c(cc1F)nc(C=C=C)c1Br
-23591	mol	[SiH3]c(cc1F)nc(C=C=C)c1Cl
-23592	mol	[SiH3]C#Cc1occc1C=CC=C
-23593	mol	[SiH3]c(cc1O)nc(C=C=C)c1Cl
-23594	mol	[SiH3]C(CC2c1cocc1)=CO2
-23595	mol	[SiH3]C#Cc2cc1ccoc1cc2
-23596	mol	[SiH3]c(cc2C)cc1c2occ1C
-23597	mol	[SiH3]C=C=CBr
-23598	mol	[SiH3]CC(CBr)C1CCCCC1
-23599	mol	[SiH3]C=C=C(Br)c1ccncc1
-23600	mol	[SiH3]C=CC=C
-23601	mol	[SiH3]C=CC#C
-23602	mol	[SiH3]C#CC=C
-23603	mol	[SiH3]C#CC#C
-23604	mol	[SiH3]CC(C)C
-23605	mol	[SiH3]CCC=C
-23606	mol	[SiH3]CCCC1CCCCC1
-23607	mol	[SiH3]C(=CCc1ccccc1)C=O
-23608	mol	[SiH3]C(CCC1C#C)NC1(O)C=O
-23609	mol	[SiH3]C(CCC1C#N)CC1O
-23610	mol	[SiH3]CC(C)c1cocc1
-23611	mol	[SiH3]C(=C=Cc1cocc1)C=C=C
-23612	mol	[SiH3]C(CCC1O)CC1C#N
-23613	mol	[SiH3]C=C=Cc1occc1
-23614	mol	[SiH3]C(=C=Cc1occc1)C=C=C
-23615	mol	[SiH3]C=C=CC=C
-23616	mol	[SiH3]C=CC=C=C
-23617	mol	[SiH3]C(=C=C)C=C
-23618	mol	[SiH3]C(=C)C=C=C
-23619	mol	[SiH3]CC(C)Cc1ccccc1O
-23620	mol	[SiH3]C(=C)C#CC1CCNCC1
-23621	mol	[SiH3]CC(C=C)C1=COCC1
-23622	mol	[SiH3]C#Cc(cc1)oc1O
-23623	mol	[SiH3]C=CC#Cc1occc1
-23624	mol	[SiH3]C=C=CC=C=C
-23625	mol	[SiH3]C=C(C#C)C=C
-23626	mol	[SiH3]C=CC#CC=C
-23627	mol	[SiH3]C(=C=C)C=C=C
-23628	mol	[SiH3]C(C=C)=CC=C
-23629	mol	[SiH3]C(C#C)=CC#C
-23630	mol	[SiH3]C#CC=CC=C
-23631	mol	[SiH3]C#CC#CC=C
-23632	mol	[SiH3]CC(C=C)C=C
-23633	mol	[SiH3]CC(C)CC=C
-23634	mol	[SiH3]C(C=C)=C=Cc1ccccc1
-23635	mol	[SiH3]C=CC#CC=CBr
-23636	mol	[SiH3]C(=CC#C)C=C=C
-23637	mol	[SiH3]C(C#C)=C=CC=C
-23638	mol	[SiH3]CC(C)CC=C=C
-23639	mol	[SiH3]CC#CC#CC=C
-23640	mol	[SiH3]CCCCC(C)C
-23641	mol	[SiH3]C=C(C=C=C)C=C=C
-23642	mol	[SiH3]C=CC#CC#CC=C
-23643	mol	[SiH3]C(=C)C#CC=CC=C
-23644	mol	[SiH3]C(=CC=C)C#CC=C
-23645	mol	[SiH3]C(C=C=C)=C=CC#C
-23646	mol	[SiH3]C(C(C=C)C=C)C=C
-23647	mol	[SiH3]C=C(C=C)C#CC#CC=C
-23648	mol	[SiH3]CC(C)C(C=C=C)C=C=C
-23649	mol	[SiH3]C(C=C=C)=C=C(C#C)C=C=C
-23650	mol	[SiH3]C=CC(C=C)=C(C=C)C(O)=O
-23651	mol	[SiH3]C(=C)C#CC=CC(O)=O
-23652	mol	[SiH3]CC(C=C)C(Cl)=CF
-23653	mol	[SiH3]C(C#C)=CC#CN(=O)=O
-23654	mol	[SiH3]CC(C)(C)C=O
-23655	mol	[SiH3]CCC(Cl)=C
-23656	mol	[SiH3]C=C=C(Cl)C=C=C
-23657	mol	[SiH3]CC(C)(Cl)C=C=C
-23658	mol	[SiH3]CCCC#N
-23659	mol	[SiH3]CC(C)C(N)C
-23660	mol	[SiH3]C=C=C(C#N)C=C
-23661	mol	[SiH3]CC(C)C(=O)C#N
-23662	mol	[SiH3]C=C=CC(O)=O
-23663	mol	[SiH3]C=C(C#N)C=O
-23664	mol	[SiH3]CC(C)N(=O)=O
-23665	mol	[SiH3]C(=C)C=O
-23666	mol	[SiH3]C#CC(OC1)CC1C#N
-23667	mol	[SiH3]C#Cc(oc1)cc1N
-23668	mol	[SiH3]C=CC(=O)C=C
-23669	mol	[SiH3]C(=CC=O)C#CC=C
-23670	mol	[SiH3]CC(C=O)C(Cl)=CC=C
-23671	mol	[SiH3]CC(C=O)C(Cl)=CF
-23672	mol	[SiH3]C=CC(O)=O
-23673	mol	[SiH3]C#CC(O)=O
-23674	mol	[SiH3]CCC[SiH3]
-23675	mol	[SiH3]CC(F)C(C1CCCO1)=C
-23676	mol	[SiH3]CC(F)C(Cl)=C
-23677	mol	[SiH3]CC(F)C(Cl)=CCl
-23678	mol	[SiH3]CC(F)C(Cl)=CF
-23679	mol	[SiH3]C=C(F)C=O
-23680	mol	[SiH3]C=C(F)O
-23681	mol	[SiH3]CC(F)OC1CCCO1
-23682	mol	[SiH3]CC(N)C=C
-23683	mol	[SiH3]CC(O)(C)c1cocc1
-23684	mol	[SiH3]C=C([SiH3])c1cocc1
-23685	mol	[SiH3]CC([SiH3])C=C
-23686	mol	[SiH3]C(C([SiH3])C=C)C=O
-23687	mol	[SiH3]C#N
-23688	mol	[SiH3]C=O
-23689	mol	[SiH3]c(oc1C)cc1C#N
-23690	mol	[SiH3]C(=O)C=C=C
-23691	mol	[SiH3]C([SiH3])=C=C
-23692	mol	[SiH3]F
-23693	mol	[SiH3]N
-23694	mol	[SiH3]NBr
-23695	mol	[SiH3]NCC(C)C
-23696	mol	[SiH3]N(C#C)C=O
-23697	mol	[SiH3]N(C=O)C=O
-23698	mol	[SiH3]N(=O)=O
-23699	mol	[SiH3]O
-23700	mol	[SiH3]OCC(C)CC=C
-23701	mol	[SiH3]OC=O
-23702	mol	[SiH3]OC(=O)C#C
-23703	mol	[SiH3]OC(=O)C#CC
-23704	mol	[SiH3][SiH2]C#N
-23705	mol	[SiH3][SiH3]
-23706	mol	[SiH4]
diff --git a/workspace/Initialisation/Input/test.mat b/workspace/Initialisation/Input/test.mat
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WN%QAPY?s?;Gj;M~1_sUKVkrRGlg)qt

diff --git a/workspace/Initialisation/Input/test.sdf b/workspace/Initialisation/Input/test.sdf
deleted file mode 100644
index cc3cffa..0000000
--- a/workspace/Initialisation/Input/test.sdf
+++ /dev/null
@@ -1,172 +0,0 @@
-mol----------Br----------No.1
-     RDKit          3D
-
-  2  1  0  0  0  0  0  0  0  0999 V2000
-    0.7645    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7645    0.0000    0.0000 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-M  END
->  <UFF-energy>  (1) 
-0
-
->  <number_rotbonds>  (1) 
-0
-
-$$$$
-mol----------CCCCCCCC(CC)N(C)C(O)=O----------No.8050
-     RDKit          3D
-
- 40 39  0  0  0  0  0  0  0  0999 V2000
-    5.5355    0.4411    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.9328    1.1324   -0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.7072    0.3924   -1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.4826    0.5021   -0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2502   -0.1413   -0.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0293   -0.0425    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.2081   -0.6782   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.4319   -0.6593    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.6737   -1.3216   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.5707   -2.8465   -0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.7551    0.7221    0.7497 N   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.1760    1.7310   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.6597    1.1115    2.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.2364    0.2028    3.1027 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.9559    2.2862    2.4868 O   0  0  0  0  0  0  0  0  0  0  0  0
-    4.8425    0.4963    1.4848 H   0  0  0  0  0  1  0  0  0  0  0  0
-    5.7620   -0.6225    0.3936 H   0  0  0  0  0  1  0  0  0  0  0  0
-    6.4807    0.9506    0.9028 H   0  0  0  0  0  1  0  0  0  0  0  0
-    5.7093    1.1725   -1.3971 H   0  0  0  0  0  1  0  0  0  0  0  0
-    4.6633    2.1794   -0.3439 H   0  0  0  0  0  1  0  0  0  0  0  0
-    3.9587   -0.6776   -1.3303 H   0  0  0  0  0  1  0  0  0  0  0  0
-    3.4563    0.8405   -2.1466 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.2704    1.5742   -0.0324 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.6919   -0.0111    0.7233 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.0270    0.3738   -1.8470 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4646   -1.2117   -1.1007 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.2487   -0.5629    0.9940 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1730    1.0286    0.2539 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.4414   -0.1480   -1.5638 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.9621   -1.7303   -0.8730 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.1609   -1.2690    1.2187 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -4.5697   -1.0670    0.2961 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -3.8411   -0.9318   -1.3381 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -4.5268   -3.2646   -0.7531 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -3.3813   -3.2667    0.6369 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.7607   -3.1609   -1.0631 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -3.2150    1.3180   -1.2595 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.4591    2.5791   -0.2278 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -4.1889    2.1055    0.0269 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.1656    0.4736    4.0762 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  8  1  0
-  8  9  1  0
-  9 10  1  0
-  8 11  1  0
- 11 12  1  0
- 11 13  1  0
- 13 14  1  0
- 13 15  2  0
-  1 16  1  0
-  1 17  1  0
-  1 18  1  0
-  2 19  1  0
-  2 20  1  0
-  3 21  1  0
-  3 22  1  0
-  4 23  1  0
-  4 24  1  0
-  5 25  1  0
-  5 26  1  0
-  6 27  1  0
-  6 28  1  0
-  7 29  1  0
-  7 30  1  0
-  8 31  1  0
-  9 32  1  0
-  9 33  1  0
- 10 34  1  0
- 10 35  1  0
- 10 36  1  0
- 12 37  1  0
- 12 38  1  0
- 12 39  1  0
- 14 40  1  0
-M  END
->  <UFF-energy>  (1) 
-15.680519527988537
-
->  <number_rotbonds>  (1) 
-8
-
-$$$$
-mol----------Brc1cc(Br)oc1----------No.4
-     RDKit          3D
-
-  9  9  0  0  0  0  0  0  0  0999 V2000
-   -2.5343    1.3529   -0.0079 Br  0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9085    0.3571   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.3691    0.8702    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1999   -0.2304    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1055   -0.1801    0.0108 Br  0  0  0  0  0  0  0  0  0  0  0  0
-    0.4898   -1.3356    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7842   -1.0159   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6586    1.9126    0.0038 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.5960   -1.7309   -0.0070 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  3  4  2  0
-  4  5  1  0
-  4  6  1  0
-  6  7  1  0
-  7  2  2  0
-  3  8  1  0
-  7  9  1  0
-M  END
->  <UFF-energy>  (1) 
-33.557836532728921
-
->  <number_rotbonds>  (1) 
-0
-
-$$$$
-mol----------Brc1ccc(Br)cc1----------No.5
-     RDKit          3D
-
- 12 12  0  0  0  0  0  0  0  0999 V2000
-    3.2986    0.2732   -0.0225 Br  0  0  0  0  0  0  0  0  0  0  0  0
-    1.3953    0.1156   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7970   -1.1498   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5970   -1.2652    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3953   -0.1156    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.2986   -0.2732    0.0225 Br  0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7970    1.1498    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5970    1.2652   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.4100   -2.0418   -0.0157 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.0550   -2.2460    0.0011 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.4100    2.0418    0.0157 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.0550    2.2460   -0.0011 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  2  0
-  3  4  1  0
-  4  5  2  0
-  5  6  1  0
-  5  7  1  0
-  7  8  2  0
-  8  2  1  0
-  3  9  1  0
-  4 10  1  0
-  7 11  1  0
-  8 12  1  0
-M  END
->  <UFF-energy>  (1) 
-10.32578717721765
-
->  <number_rotbonds>  (1) 
-0
-
-$$$$
diff --git a/workspace/Initialisation/Input/test.txt b/workspace/Initialisation/Input/test.txt
deleted file mode 100644
index 6133501..0000000
--- a/workspace/Initialisation/Input/test.txt
+++ /dev/null
@@ -1,6 +0,0 @@
-12033	mol	CC(C)(C)C(OC=O)=O
-12034	mol	CC(C)(CC=O)C(O)=O
-12035	mol	CC(C)C(C=O)C(O)=O
-12036	mol	CC(C)C#COC(O)=O
-19998	mol	OCC1CCOC1
-19999	mol	O=CC1CCOC1
diff --git a/workspace/Initialisation/Manual/example_err/diff_USMILES b/workspace/Initialisation/Manual/example_err/diff_USMILES
deleted file mode 100644
index 39900b7..0000000
--- a/workspace/Initialisation/Manual/example_err/diff_USMILES
+++ /dev/null
@@ -1,35 +0,0 @@
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
-#       
-#               collection of not identical USMILES
-#                   - molecules resource:
-#                       /daten/Central_COSMO_Database/TZVP-MF Stand August 2018
-#               
-#
-# # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # # #
-
-
-reasons:
-
-e.g.1
-1	BrBr			USMILES:
-2	BrN(=O)=O			USMILES:
-3	BrOC+N			USMILES:
-
--> reason: The molecule hasn't a H atom.
-
-
-e.g.2
-1	C1OC=CC1C2CC=CO2			C2OC=CC2C1CC=CO1
-2   C1OC=CC1c2cocc2			C2OC=CC2c1cocc1
-3   C(c1cocc1)c2occc2			C(c2cocc2)c1occc1
-
--> reason: The number of rings is swaped. The molecules are the same one.
-
-
-# if WEIGHT == 0
-e.g.3
-1   BrC(CC(C#N)C#N)C=C=C    BrC(C(C+N)C+N)CC=C=C
-2   BrC1CCCCC1C=C=C	    BrC1CC(CCC1)C=C=C
-3   Brc1ccccc1C+N   Brc1cc(C+N)ccc1
-
--> reason: The transformation of POINT info is not right while the redundant fragments are deleted.
diff --git a/workspace/Initialisation/Manual/structure.pdf b/workspace/Initialisation/Manual/structure.pdf
deleted file mode 100644
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diff --git a/workspace/Initialisation/Output/.log_lea b/workspace/Initialisation/Output/.log_lea
deleted file mode 100644
index 34f22a6..0000000
--- a/workspace/Initialisation/Output/.log_lea
+++ /dev/null
@@ -1,31 +0,0 @@
-
-	control parameters:
-		With substitution of H atom
-		With weighing of fragments
-
-	Nr.	name	USMILES	score
-
-	Mol 12033	mol	CC(C)(C)C(OC=O)=O	
-	Mol 12034	mol	CC(C)(CC=O)C(O)=O	
-	Mol 12035	mol	CC(C)C(C=O)C(O)=O	
-	Mol 12036	mol	CC(C)C#COC(O)=O	
-	Mol 19998	mol	OCC1CCOC1	
-	Mol 19999	mol	O=CC1CCOC1	
-
-	Read 6 molecules.
-
-	These functional groups are selected to be splited:
-	-C(=O)C=O  -C(=O)O  -C(=O)OH  -C(H)(H)H  -C+C  -C+N  -C=C  -C=O  -N  -N(H)H  -NH  -O  -OH  -VII  -cycle  
-
-		26 fragments are writing in custom.sdf
-
-		6 lea-strings are written in custom.out
-
-		find 11 fragment(s) the same as fragment 1
-		find 3 fragment(s) the same as fragment 5
-		find 2 fragment(s) the same as fragment 6
-		find 1 fragment(s) the same as fragment 7
-		find 1 fragment(s) the same as fragment 24
-
-		There are 8 individual fragments from all 26 framgments
-
diff --git a/workspace/Initialisation/Output/.start_USMI b/workspace/Initialisation/Output/.start_USMI
deleted file mode 100644
index 6133501..0000000
--- a/workspace/Initialisation/Output/.start_USMI
+++ /dev/null
@@ -1,6 +0,0 @@
-12033	mol	CC(C)(C)C(OC=O)=O
-12034	mol	CC(C)(CC=O)C(O)=O
-12035	mol	CC(C)C(C=O)C(O)=O
-12036	mol	CC(C)C#COC(O)=O
-19998	mol	OCC1CCOC1
-19999	mol	O=CC1CCOC1
diff --git a/workspace/Initialisation/Output/custom.out b/workspace/Initialisation/Output/custom.out
deleted file mode 100644
index 5ca4e91..0000000
--- a/workspace/Initialisation/Output/custom.out
+++ /dev/null
@@ -1,10 +0,0 @@
-
-		result from screening:
-
-|generation	|Rank	|name	|Score	|Fragments	|
-|0	|1	|mol	|	|	1*2-2*1_1*2-3*2_1*2-4*2_1*2-5*2_5*4-6*2 /	1 2 3 4 6 5|
-|0	|2	|mol	|	|	1*2-2*3_1*2-3*1_1*2-4*2_1*4-5*2 /	7 8 9 10 11|
-|0	|3	|mol	|	|	1*4-2*3_1*2-3*1_1*2-4*2_1*4-5*2 /	12 13 14 15 16|
-|0	|4	|mol	|	|	1*2-2*1_1*2-3*2_1*2-4*3_4*2-5*4 /	17 18 19 21 20|
-|0	|5	|mol	|	|	1*2-2*1_1*2-3*4 /	22 23 24|
-|0	|6	|mol	|	|	1*2-2*4 /	25 26|
diff --git a/workspace/Initialisation/Output/custom.sdf b/workspace/Initialisation/Output/custom.sdf
deleted file mode 100644
index 1aef068..0000000
--- a/workspace/Initialisation/Output/custom.sdf
+++ /dev/null
@@ -1,536 +0,0 @@
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -0.9004   -0.4551    1.5966 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.5612   -0.1201    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3694   -1.0346   -0.8078 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.9410    1.3487   -0.1480 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    0.9206   -0.3471   -0.1023 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-M  END
-> <tempXatom>
-7
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -0.9004   -0.4551    1.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.3112    0.1848    2.2889 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.9806   -0.2860    1.7976 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.6700   -1.5187    1.8230 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  3  1  0  0  0  0
-  1  4  1  0  0  0  0
-  1  5  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-1-1-1-1
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -2.4606   -0.8792   -0.6635 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.3694   -1.0346   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -1.1223   -0.8177   -1.8697 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.1443   -2.1048   -0.6086 X   0  0  0  0  0  1  0  0  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -2.0268    1.5131    0.0241 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.9410    1.3487   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.3774    2.0344    0.5214 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.7135    1.6189   -1.2021 X   0  0  0  0  0  1  0  0  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
-  4  3  0  0  0  0  0  0  0  0999 V2000
-    3.6556    1.4989   -1.0807 X   0  0  0  0  0  1  0  0  0  0  0  0
-    3.1160    0.6174   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7408    0.7138   -0.5180 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    3.7396   -0.4683   -0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-2-2
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-    1.4061   -1.4982    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.9206   -0.3471   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.7408    0.7138   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1160    0.6174   -0.7630 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  5  1  0  0  0  0
-  2  1  2  0  0  0  0
-M  END
-> <POINTS>
-2-4
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034
-     RDKit          3D
-
-  8  7  0  0  0  0  0  0  0  0999 V2000
-   -1.1727    1.0703    0.6574 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.3055    0.1625   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6425    0.4700   -1.7150 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.1913    0.4668    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6160   -1.2834    0.1107 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    2.1257   -0.3944   -0.7646 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.4188    0.3036    1.1179 X   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4000    1.5386   -0.1748 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  6  1  0  0  0  0
-  2  5  1  0  0  0  0
-  4  7  1  0  0  0  0
-  4  8  1  0  0  0  0
-M  END
-> <tempXatom>
-6
-> <POINTS>
-2-2-4-2-4-4
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -0.5817   -2.7073    1.6553 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.3836   -1.7464    1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6160   -1.2834    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3055    0.1625   -0.2365 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -1.0798   -2.0759   -0.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
-  4  3  1  0  0  0  0
-  3  2  1  0  0  0  0
-  3  5  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-3-2
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -1.1727    1.0703    0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3055    0.1625   -0.2365 X   0  0  0  0  0  0  0  0  0  0  0  0   
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-  1  5  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-1-1-1-1
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034
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-
-  5  4  0  0  0  0  0  0  0  0999 V2000
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-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034
-     RDKit          3D
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-  3  2  1  0  0  0  0
-  2  4  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-2-2
-
-$$$$
-mol----------CC(C)C(C=O)C(O)=O----------No.12035
-     RDKit          3D
-
-  8  7  0  0  0  0  0  0  0  0999 V2000
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-  4  8  1  0  0  0  0
-M  END
-> <tempXatom>
-6
-> <POINTS>
-2-2-4-4-2-4
-
-$$$$
-mol----------CC(C)C(C=O)C(O)=O----------No.12035
-     RDKit          3D
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-  2  1  1  0  0  0  0
-M  END
-> <tempXatom>
-7
-> <POINTS>
-3-2
-
-$$$$
-mol----------CC(C)C(C=O)C(O)=O----------No.12035
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
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-  1  5  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-1-1-1-1
-
-$$$$
-mol----------CC(C)C(C=O)C(O)=O----------No.12035
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -2.7917   -0.1082    0.5128 X   0  0  0  0  0  1  0  0  0  0  0  0
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-   -0.7053   -0.0318   -0.1437 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -1.6219   -0.8531    1.6706 X   0  0  0  0  0  1  0  0  0  0  0  0
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-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
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-M  END
-> <tempXatom>
-2
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)C(C=O)C(O)=O----------No.12035
-     RDKit          3D
-
-  4  3  0  0  0  0  0  0  0  0999 V2000
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-    0.7253    0.0633    0.4569 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.1994    1.2645    2.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-2-2
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
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-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-M  END
-> <tempXatom>
-6
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -1.8547   -1.5309    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4402   -0.3418   -0.7043 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -1.4206   -2.4707   -0.2398 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.5053   -1.3952    1.2115 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.9608   -1.6343    0.1669 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  3  1  0  0  0  0
-  1  4  1  0  0  0  0
-  1  5  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-1-1-1-1
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
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-   -1.4402   -0.3418   -0.7043 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -3.1611    0.8862   -0.1820 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7086    1.1671    0.8564 X   0  0  0  0  0  1  0  0  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036
-     RDKit          3D
-
-  6  5  0  0  0  0  0  0  0  0999 V2000
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-    4.6735    0.8662    0.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2878    0.7932    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
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-    2.6744    1.4718    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2278   -0.1359   -0.7623 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  6  4  1  0  0  0  0
-  4  3  1  0  0  0  0
-  3  2  1  0  0  0  0
-  3  5  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-4-2
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036
-     RDKit          3D
-
-  4  3  0  0  0  0  0  0  0  0999 V2000
-    2.5927   -0.0291   -0.7902 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.2278   -0.1359   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0258   -0.2295   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4402   -0.3418   -0.7043 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  4  3  1  0  0  0  0
-  3  2  3  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-3-2
-
-$$$$
-mol----------OCC1CCOC1----------No.19998
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
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-   -1.6667   -0.1737   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1863   -0.2325    0.3900 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -1.7920    0.4210   -0.9447 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.0330   -1.2081   -0.1979 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-M  END
-> <tempXatom>
-1
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------OCC1CCOC1----------No.19998
-     RDKit          3D
-
-  3  2  0  0  0  0  0  0  0  0999 V2000
-   -2.4139    0.4049    1.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6667   -0.1737   -0.0112 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -3.3556    0.4145    0.7097 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  3  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-1-1
-
-$$$$
-mol----------OCC1CCOC1----------No.19998
-     RDKit          3D
-
- 13 13  0  0  0  0  0  0  0  0999 V2000
-    0.3386    1.4833    1.6133 X   0  0  0  0  0  1  0  0  0  0  0  0
-    0.4471    1.1384    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.8140    1.0534    0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1863   -0.2325    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.0303    1.8894   -0.1048 X   0  0  0  0  0  1  0  0  0  0  0  0
-    2.0152   -0.1644   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6667   -0.1737   -0.0112 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    0.6819   -0.8553   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.0787   -0.8096    1.3370 X   0  0  0  0  0  1  0  0  0  0  0  0
-    2.6808   -0.8113    0.1594 X   0  0  0  0  0  1  0  0  0  0  0  0
-    2.5122    0.0312   -1.4265 X   0  0  0  0  0  1  0  0  0  0  0  0
-    0.7623   -1.9566   -0.5355 X   0  0  0  0  0  1  0  0  0  0  0  0
-    0.3045   -0.6245   -1.6877 X   0  0  0  0  0  1  0  0  0  0  0  0
-  7  4  1  0  0  0  0
-  4  8  1  0  0  0  0
-  8  6  1  0  0  0  0
-  6  3  1  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  9  1  0  0  0  0
-  8 12  1  0  0  0  0
-  8 13  1  0  0  0  0
-  6 10  1  0  0  0  0
-  6 11  1  0  0  0  0
-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-4-4-8-8-6-6-2-2
-
-$$$$
-mol----------O=CC1CCOC1----------No.19999
-     RDKit          3D
-
-  4  3  0  0  0  0  0  0  0  0999 V2000
-    2.8353    0.5730   -0.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9801    0.0575    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5998   -0.1869   -0.3574 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    2.2337   -0.2305    1.2079 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  2  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-M  END
-> <POINTS>
-2-2
-
-$$$$
-mol----------O=CC1CCOC1----------No.19999
-     RDKit          3D
-
- 13 13  0  0  0  0  0  0  0  0999 V2000
-    0.0781    1.3932   -1.7514 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1319    1.0984   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.5159    0.8915   -0.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5998   -0.1869   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.1828    1.9296   -0.0309 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.6848   -0.2993    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9801    0.0575    0.1922 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.3292   -0.8258    0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6690   -0.8301   -1.2639 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.1929   -1.0496   -0.4402 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.3259   -0.1032    1.0898 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1154   -0.4819    1.6723 X   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.2828   -1.9358    0.5880 X   0  0  0  0  0  1  0  0  0  0  0  0
-  7  4  1  0  0  0  0
-  4  8  1  0  0  0  0
-  8  6  1  0  0  0  0
-  6  3  1  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  9  1  0  0  0  0
-  8 12  1  0  0  0  0
-  8 13  1  0  0  0  0
-  6 10  1  0  0  0  0
-  6 11  1  0  0  0  0
-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-4-4-8-8-6-6-2-2
-
-$$$$
diff --git a/workspace/Initialisation/Output/mol_group_info.txt b/workspace/Initialisation/Output/mol_group_info.txt
deleted file mode 100644
index a7390b7..0000000
--- a/workspace/Initialisation/Output/mol_group_info.txt
+++ /dev/null
@@ -1,82 +0,0 @@
-# # # # # # # # # # # #
-
-# molecule information
-
-#	-Summary of the functional groups of each molecule
-
-# # # # # # # # # # # #
-
-Nr.1: mol----------CC(C)(C)C(OC=O)=O----------No.12033
-
-There are 4 functional groups: 3 single groups, 1 multi groups and 0 cycles.
-
-group	Nr.	relevant atoms
-
--C(=O)O	1	[ 5-9-6+6-5 ]
--C(H)(H)H	3	[ 1-10-11-12 3-13-14-15 4-16-17-18 ]
-
-$$$$
-
-
-Nr.2: mol----------CC(C)(CC=O)C(O)=O----------No.12034
-
-There are 4 functional groups: 3 single groups, 1 multi groups and 0 cycles.
-
-group	Nr.	relevant atoms
-
--C(=O)OH	1	[ 7-9-8 ]
--C(H)(H)H	2	[ 1-10-11-12 3-13-14-15 ]
--C=O	1	[ 5-6-18 ]
-
-$$$$
-
-
-Nr.3: mol----------CC(C)C(C=O)C(O)=O----------No.12035
-
-There are 4 functional groups: 3 single groups, 1 multi groups and 0 cycles.
-
-group	Nr.	relevant atoms
-
--C(=O)OH	1	[ 7-9-8 ]
--C(H)(H)H	2	[ 1-10-11-12 3-14-15-16 ]
--C=O	1	[ 5-6-18 ]
-
-$$$$
-
-
-Nr.4: mol----------CC(C)C#COC(O)=O----------No.12036
-
-There are 3 functional groups: 2 single groups, 1 multi groups and 0 cycles.
-
-group	Nr.	relevant atoms
-
--C(H)(H)H	2	[ 1-10-11-12 3-14-15-16 ]
--C+C	1	[ 4-5+5-4 ]
-
-$$$$
-
-
-Nr.5: mol----------OCC1CCOC1----------No.19998
-
-There are 2 functional groups: 1 single groups, 1 multi groups and 1 cycles.
-
-group	Nr.	relevant atoms
-
--OH	1	[ 1-8 ]
--cycle	1	[   7-6-5-4-3   ]	
-
-$$$$
-
-
-Nr.6: mol----------O=CC1CCOC1----------No.19999
-
-There are 2 functional groups: 0 single groups, 2 multi groups and 1 cycles.
-
-group	Nr.	relevant atoms
-
--C=O	1	[ 2-1-8 ]
--cycle	1	[   7-6-5-4-3   ]	
-
-$$$$
-
-
diff --git a/workspace/Initialisation/Output/screen.sdf b/workspace/Initialisation/Output/screen.sdf
deleted file mode 100644
index 59f4646..0000000
--- a/workspace/Initialisation/Output/screen.sdf
+++ /dev/null
@@ -1,280 +0,0 @@
-mol----------CC(C)(C)C(OC=O)=O----------No.12033
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
-   -0.9004   -0.4551    1.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3694   -1.0346   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9410    1.3487   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.9206   -0.3471   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7408    0.7138   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1160    0.6174   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.7396   -0.4683   -0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.4061   -1.4982    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3112    0.1848    2.2889 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.9806   -0.2860    1.7976 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.6700   -1.5187    1.8230 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.1223   -0.8177   -1.8697 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.1443   -2.1048   -0.6086 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.4606   -0.8792   -0.6635 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.3774    2.0344    0.5214 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.7135    1.6189   -1.2021 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.0268    1.5131    0.0241 H   0  0  0  0  0  1  0  0  0  0  0  0
-    3.6556    1.4989   -1.0807 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  2  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  8  2  0
-  5  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  3 13  1  0
-  3 14  1  0
-  3 15  1  0
-  4 16  1  0
-  4 17  1  0
-  4 18  1  0
-  7 19  1  0
-M  END
->  <UFF-energy>  (1) 
-10.513002520363694
-
->  <number_rotbonds>  (1) 
-1
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
-   -1.1727    1.0703    0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3055    0.1625   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6425    0.4700   -1.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1913    0.4668    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.1257   -0.3944   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.8977    0.1108   -1.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6160   -1.2834    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3836   -1.7464    1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0798   -2.0759   -0.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9877    2.1419    0.4263 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.9424    0.9053    1.7324 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.2529    0.8608    0.4976 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7256    0.3139   -1.9109 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.0697   -0.1904   -2.4008 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.3942    1.5249   -1.9618 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4188    0.3036    1.1179 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4000    1.5386   -0.1748 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.1209   -1.4717   -0.6350 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.5817   -2.7073    1.6553 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  4  5  1  0
-  5  6  2  0
-  2  7  1  0
-  7  8  1  0
-  7  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  3 13  1  0
-  3 14  1  0
-  3 15  1  0
-  4 16  1  0
-  4 17  1  0
-  5 18  1  0
-  8 19  1  0
-M  END
->  <UFF-energy>  (1) 
-9.5430231220245894
-
->  <number_rotbonds>  (1) 
-3
-
-$$$$
-mol----------CC(C)C(C=O)C(O)=O----------No.12035
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
-   -0.8752   -1.3047   -0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7053   -0.0318   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.7784   -0.0142    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7253    0.0633    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8971    1.3226    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1994    1.2645    2.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7788    0.0503   -0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7856    1.0342   -1.6023 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6578   -0.8528   -0.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6688   -2.2108   -0.3820 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.9110   -1.3690   -1.3881 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1870   -1.2921   -1.8624 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.8820    0.8460   -0.8053 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.6219   -0.8531    1.6706 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7505    0.9436    1.5194 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.7917   -0.1082    0.5128 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.8873   -0.8145    1.1243 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.7516    2.2923    0.7980 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.4888    1.0344   -2.3314 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  4  5  1  0
-  5  6  2  0
-  4  7  1  0
-  7  8  1  0
-  7  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  2 13  1  0
-  3 14  1  0
-  3 15  1  0
-  3 16  1  0
-  4 17  1  0
-  5 18  1  0
-  8 19  1  0
-M  END
->  <UFF-energy>  (1) 
-7.9254368114613918
-
->  <number_rotbonds>  (1) 
-3
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036
-     RDKit          3D
-
- 17 16  0  0  0  0  0  0  0  0999 V2000
-   -1.8547   -1.5309    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4402   -0.3418   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.0525    0.9588   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0258   -0.2295   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2278   -0.1359   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.5927   -0.0291   -0.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2878    0.7932    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.6735    0.8662    0.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6744    1.4718    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4206   -2.4707   -0.2398 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.5053   -1.3952    1.2115 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.9608   -1.6343    0.1669 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.8005   -0.5141   -1.7415 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -3.1611    0.8862   -0.1820 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7086    1.1671    0.8564 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7610    1.8097   -0.8330 H   0  0  0  0  0  1  0  0  0  0  0  0
-    5.1833    0.3283   -0.6608 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  4  5  3  0
-  5  6  1  0
-  6  7  1  0
-  7  8  1  0
-  7  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  2 13  1  0
-  3 14  1  0
-  3 15  1  0
-  3 16  1  0
-  8 17  1  0
-M  END
->  <UFF-energy>  (1) 
-2.9637267062822668
-
->  <number_rotbonds>  (1) 
-0
-
-$$$$
-mol----------OCC1CCOC1----------No.19998
-     RDKit          3D
-
- 17 17  0  0  0  0  0  0  0  0999 V2000
-   -2.4139    0.4049    1.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6667   -0.1737   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1863   -0.2325    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6819   -0.8553   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.0152   -0.1644   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.8140    1.0534    0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.4471    1.1384    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.3556    0.4145    0.7097 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7920    0.4210   -0.9447 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.0330   -1.2081   -0.1979 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.0787   -0.8096    1.3370 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.7623   -1.9566   -0.5355 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.3045   -0.6245   -1.6877 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.6808   -0.8113    0.1594 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.5122    0.0312   -1.4265 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.0303    1.8894   -0.1048 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.3386    1.4833    1.6133 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  3  1  0
-  1  8  1  0
-  2  9  1  0
-  2 10  1  0
-  3 11  1  0
-  4 12  1  0
-  4 13  1  0
-  5 14  1  0
-  5 15  1  0
-  7 16  1  0
-  7 17  1  0
-M  END
->  <UFF-energy>  (1) 
-12.151935219387275
-
->  <number_rotbonds>  (1) 
-1
-
-$$$$
-mol----------O=CC1CCOC1----------No.19999
-     RDKit          3D
-
- 15 15  0  0  0  0  0  0  0  0999 V2000
-    2.8353    0.5730   -0.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9801    0.0575    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5998   -0.1869   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3292   -0.8258    0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6848   -0.2993    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.5159    0.8915   -0.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1319    1.0984   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.2337   -0.2305    1.2079 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.6690   -0.8301   -1.2639 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1154   -0.4819    1.6723 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.2828   -1.9358    0.5880 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.1929   -1.0496   -0.4402 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.3259   -0.1032    1.0898 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.1828    1.9296   -0.0309 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.0781    1.3932   -1.7514 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  2  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  3  1  0
-  2  8  1  0
-  3  9  1  0
-  4 10  1  0
-  4 11  1  0
-  5 12  1  0
-  5 13  1  0
-  7 14  1  0
-  7 15  1  0
-M  END
->  <UFF-energy>  (1) 
-11.382690902456853
-
->  <number_rotbonds>  (1) 
-1
-
-$$$$
diff --git a/workspace/Initialisation/Output/sdf/0_.sdf b/workspace/Initialisation/Output/sdf/0_.sdf
deleted file mode 100644
index 24e57ca..0000000
--- a/workspace/Initialisation/Output/sdf/0_.sdf
+++ /dev/null
@@ -1,49 +0,0 @@
-
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
-   -0.9004   -0.4551    1.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3694   -1.0346   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9410    1.3487   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.9206   -0.3471   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7408    0.7138   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1160    0.6174   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
-    3.7396   -0.4683   -0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.4061   -1.4982    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3112    0.1848    2.2889 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.9806   -0.2860    1.7976 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.6700   -1.5187    1.8230 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.1223   -0.8177   -1.8697 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.1443   -2.1048   -0.6086 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.4606   -0.8792   -0.6635 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.3774    2.0344    0.5214 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.7135    1.6189   -1.2021 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.0268    1.5131    0.0241 H   0  0  0  0  0  1  0  0  0  0  0  0
-    3.6556    1.4989   -1.0807 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  2  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  8  2  0
-  5  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  3 13  1  0
-  3 14  1  0
-  3 15  1  0
-  4 16  1  0
-  4 17  1  0
-  4 18  1  0
-  7 19  1  0
-M  END
->  <UFF-energy>  (1) 
-10.513002520363694
-
->  <number_rotbonds>  (1) 
-1
-
-$$$$
diff --git a/workspace/Initialisation/Output/sdf/1_.sdf b/workspace/Initialisation/Output/sdf/1_.sdf
deleted file mode 100644
index 753c460..0000000
--- a/workspace/Initialisation/Output/sdf/1_.sdf
+++ /dev/null
@@ -1,49 +0,0 @@
-
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
-   -1.1727    1.0703    0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3055    0.1625   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6425    0.4700   -1.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1913    0.4668    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.1257   -0.3944   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.8977    0.1108   -1.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6160   -1.2834    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3836   -1.7464    1.4035 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.0798   -2.0759   -0.7545 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.9877    2.1419    0.4263 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.9424    0.9053    1.7324 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.2529    0.8608    0.4976 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7256    0.3139   -1.9109 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.0697   -0.1904   -2.4008 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.3942    1.5249   -1.9618 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4188    0.3036    1.1179 H   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4000    1.5386   -0.1748 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.1209   -1.4717   -0.6350 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.5817   -2.7073    1.6553 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  4  5  1  0
-  5  6  2  0
-  2  7  1  0
-  7  8  1  0
-  7  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  3 13  1  0
-  3 14  1  0
-  3 15  1  0
-  4 16  1  0
-  4 17  1  0
-  5 18  1  0
-  8 19  1  0
-M  END
->  <UFF-energy>  (1) 
-9.5430231220245894
-
->  <number_rotbonds>  (1) 
-3
-
-$$$$
diff --git a/workspace/Initialisation/Output/sdf/2_.sdf b/workspace/Initialisation/Output/sdf/2_.sdf
deleted file mode 100644
index 6f3ca37..0000000
--- a/workspace/Initialisation/Output/sdf/2_.sdf
+++ /dev/null
@@ -1,49 +0,0 @@
-
-     RDKit          3D
-
- 19 18  0  0  0  0  0  0  0  0999 V2000
-   -0.8752   -1.3047   -0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.7053   -0.0318   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.7784   -0.0142    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.7253    0.0633    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.8971    1.3226    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.1994    1.2645    2.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7788    0.0503   -0.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7856    1.0342   -1.6023 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6578   -0.8528   -0.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6688   -2.2108   -0.3820 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.9110   -1.3690   -1.3881 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1870   -1.2921   -1.8624 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.8820    0.8460   -0.8053 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.6219   -0.8531    1.6706 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7505    0.9436    1.5194 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.7917   -0.1082    0.5128 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.8873   -0.8145    1.1243 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.7516    2.2923    0.7980 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.4888    1.0344   -2.3314 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  4  5  1  0
-  5  6  2  0
-  4  7  1  0
-  7  8  1  0
-  7  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  2 13  1  0
-  3 14  1  0
-  3 15  1  0
-  3 16  1  0
-  4 17  1  0
-  5 18  1  0
-  8 19  1  0
-M  END
->  <UFF-energy>  (1) 
-7.9254368114613918
-
->  <number_rotbonds>  (1) 
-3
-
-$$$$
diff --git a/workspace/Initialisation/Output/sdf/3_.sdf b/workspace/Initialisation/Output/sdf/3_.sdf
deleted file mode 100644
index 20e6961..0000000
--- a/workspace/Initialisation/Output/sdf/3_.sdf
+++ /dev/null
@@ -1,45 +0,0 @@
-
-     RDKit          3D
-
- 17 16  0  0  0  0  0  0  0  0999 V2000
-   -1.8547   -1.5309    0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4402   -0.3418   -0.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -2.0525    0.9588   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0258   -0.2295   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2278   -0.1359   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.5927   -0.0291   -0.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2878    0.7932    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
-    4.6735    0.8662    0.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6744    1.4718    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4206   -2.4707   -0.2398 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.5053   -1.3952    1.2115 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.9608   -1.6343    0.1669 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.8005   -0.5141   -1.7415 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -3.1611    0.8862   -0.1820 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7086    1.1671    0.8564 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7610    1.8097   -0.8330 H   0  0  0  0  0  1  0  0  0  0  0  0
-    5.1833    0.3283   -0.6608 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  2  4  1  0
-  4  5  3  0
-  5  6  1  0
-  6  7  1  0
-  7  8  1  0
-  7  9  2  0
-  1 10  1  0
-  1 11  1  0
-  1 12  1  0
-  2 13  1  0
-  3 14  1  0
-  3 15  1  0
-  3 16  1  0
-  8 17  1  0
-M  END
->  <UFF-energy>  (1) 
-2.9637267062822668
-
->  <number_rotbonds>  (1) 
-0
-
-$$$$
diff --git a/workspace/Initialisation/Output/sdf/4_.sdf b/workspace/Initialisation/Output/sdf/4_.sdf
deleted file mode 100644
index ec11e93..0000000
--- a/workspace/Initialisation/Output/sdf/4_.sdf
+++ /dev/null
@@ -1,46 +0,0 @@
-
-     RDKit          3D
-
- 17 17  0  0  0  0  0  0  0  0999 V2000
-   -2.4139    0.4049    1.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6667   -0.1737   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1863   -0.2325    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.6819   -0.8553   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.0152   -0.1644   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.8140    1.0534    0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.4471    1.1384    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -3.3556    0.4145    0.7097 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -1.7920    0.4210   -0.9447 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.0330   -1.2081   -0.1979 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.0787   -0.8096    1.3370 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.7623   -1.9566   -0.5355 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.3045   -0.6245   -1.6877 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.6808   -0.8113    0.1594 H   0  0  0  0  0  1  0  0  0  0  0  0
-    2.5122    0.0312   -1.4265 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.0303    1.8894   -0.1048 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.3386    1.4833    1.6133 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  3  1  0
-  1  8  1  0
-  2  9  1  0
-  2 10  1  0
-  3 11  1  0
-  4 12  1  0
-  4 13  1  0
-  5 14  1  0
-  5 15  1  0
-  7 16  1  0
-  7 17  1  0
-M  END
->  <UFF-energy>  (1) 
-12.151935219387275
-
->  <number_rotbonds>  (1) 
-1
-
-$$$$
diff --git a/workspace/Initialisation/Output/sdf/5_.sdf b/workspace/Initialisation/Output/sdf/5_.sdf
deleted file mode 100644
index 212046e..0000000
--- a/workspace/Initialisation/Output/sdf/5_.sdf
+++ /dev/null
@@ -1,42 +0,0 @@
-
-     RDKit          3D
-
- 15 15  0  0  0  0  0  0  0  0999 V2000
-    2.8353    0.5730   -0.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.9801    0.0575    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.5998   -0.1869   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.3292   -0.8258    0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6848   -0.2993    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.5159    0.8915   -0.5343 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1319    1.0984   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.2337   -0.2305    1.2079 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.6690   -0.8301   -1.2639 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.1154   -0.4819    1.6723 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -0.2828   -1.9358    0.5880 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.1929   -1.0496   -0.4402 H   0  0  0  0  0  1  0  0  0  0  0  0
-   -2.3259   -0.1032    1.0898 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.1828    1.9296   -0.0309 H   0  0  0  0  0  1  0  0  0  0  0  0
-    0.0781    1.3932   -1.7514 H   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  2  0
-  2  3  1  0
-  3  4  1  0
-  4  5  1  0
-  5  6  1  0
-  6  7  1  0
-  7  3  1  0
-  2  8  1  0
-  3  9  1  0
-  4 10  1  0
-  4 11  1  0
-  5 12  1  0
-  5 13  1  0
-  7 14  1  0
-  7 15  1  0
-M  END
->  <UFF-energy>  (1) 
-11.382690902456853
-
->  <number_rotbonds>  (1) 
-1
-
-$$$$
diff --git a/workspace/Initialisation/Output/unique.sdf b/workspace/Initialisation/Output/unique.sdf
deleted file mode 100644
index a2557e2..0000000
--- a/workspace/Initialisation/Output/unique.sdf
+++ /dev/null
@@ -1,167 +0,0 @@
-mol----------CC(C)(C)C(OC=O)=O----------No.12033---frag.1
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-   -0.9004   -0.4551    1.5966 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.5612   -0.1201    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.3694   -1.0346   -0.8078 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.9410    1.3487   -0.1480 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    0.9206   -0.3471   -0.1023 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  2  5  1  0  0  0  0
-M  END
-> <tempXatom>
-7
-> <POINTS>
-2-2-2-2
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033---frag.5
-     RDKit          3D
-
-  4  3  0  0  0  0  0  0  0  0999 V2000
-    3.6556    1.4989   -1.0807 X   0  0  0  0  0  1  0  0  0  0  0  0
-    3.1160    0.6174   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.7408    0.7138   -0.5180 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    3.7396   -0.4683   -0.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-2-2
-
-$$$$
-mol----------CC(C)(C)C(OC=O)=O----------No.12033---frag.6
-     RDKit          3D
-
-  5  4  0  0  0  0  0  0  0  0999 V2000
-    1.4061   -1.4982    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
-    0.9206   -0.3471   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.5612   -0.1201    0.1319 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.7408    0.7138   -0.5180 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.1160    0.6174   -0.7630 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  5  1  0  0  0  0
-  2  1  2  0  0  0  0
-M  END
-> <POINTS>
-2-4
-
-$$$$
-mol----------CC(C)(CC=O)C(O)=O----------No.12034---frag.7
-     RDKit          3D
-
-  8  7  0  0  0  0  0  0  0  0999 V2000
-   -1.1727    1.0703    0.6574 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -0.3055    0.1625   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6425    0.4700   -1.7150 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.1913    0.4668    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.6160   -1.2834    0.1107 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    2.1257   -0.3944   -0.7646 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.4188    0.3036    1.1179 X   0  0  0  0  0  1  0  0  0  0  0  0
-    1.4000    1.5386   -0.1748 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  2  3  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  6  1  0  0  0  0
-  2  5  1  0  0  0  0
-  4  7  1  0  0  0  0
-  4  8  1  0  0  0  0
-M  END
-> <tempXatom>
-6
-> <POINTS>
-2-2-4-2-4-4
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036---frag.20
-     RDKit          3D
-
-  6  5  0  0  0  0  0  0  0  0999 V2000
-    5.1833    0.3283   -0.6608 X   0  0  0  0  0  1  0  0  0  0  0  0
-    4.6735    0.8662    0.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
-    3.2878    0.7932    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
-    2.5927   -0.0291   -0.7902 O   0  0  0  0  0  0  0  0  0  0  0  0
-    2.6744    1.4718    0.9669 O   0  0  0  0  0  0  0  0  0  0  0  0
-    1.2278   -0.1359   -0.7623 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  6  4  1  0  0  0  0
-  4  3  1  0  0  0  0
-  3  2  1  0  0  0  0
-  3  5  2  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-4-2
-
-$$$$
-mol----------CC(C)C#COC(O)=O----------No.12036---frag.21
-     RDKit          3D
-
-  4  3  0  0  0  0  0  0  0  0999 V2000
-    2.5927   -0.0291   -0.7902 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    1.2278   -0.1359   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
-    0.0258   -0.2295   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.4402   -0.3418   -0.7043 X   0  0  0  0  0  0  0  0  0  0  0  0   
-  4  3  1  0  0  0  0
-  3  2  3  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-3-2
-
-$$$$
-mol----------OCC1CCOC1----------No.19998---frag.23
-     RDKit          3D
-
-  3  2  0  0  0  0  0  0  0  0999 V2000
-   -2.4139    0.4049    1.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6667   -0.1737   -0.0112 X   0  0  0  0  0  0  0  0  0  0  0  0   
-   -3.3556    0.4145    0.7097 X   0  0  0  0  0  1  0  0  0  0  0  0
-  1  2  1  0  0  0  0
-  1  3  1  0  0  0  0
-M  END
-> <tempXatom>
-2
-> <POINTS>
-1-1
-
-$$$$
-mol----------OCC1CCOC1----------No.19998---frag.24
-     RDKit          3D
-
- 13 13  0  0  0  0  0  0  0  0999 V2000
-    0.3386    1.4833    1.6133 X   0  0  0  0  0  1  0  0  0  0  0  0
-    0.4471    1.1384    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
-    1.8140    1.0534    0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.1863   -0.2325    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.0303    1.8894   -0.1048 X   0  0  0  0  0  1  0  0  0  0  0  0
-    2.0152   -0.1644   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -1.6667   -0.1737   -0.0112 X   0  0  0  0  0  0  0  0  0  0  0  0   
-    0.6819   -0.8553   -0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
-   -0.0787   -0.8096    1.3370 X   0  0  0  0  0  1  0  0  0  0  0  0
-    2.6808   -0.8113    0.1594 X   0  0  0  0  0  1  0  0  0  0  0  0
-    2.5122    0.0312   -1.4265 X   0  0  0  0  0  1  0  0  0  0  0  0
-    0.7623   -1.9566   -0.5355 X   0  0  0  0  0  1  0  0  0  0  0  0
-    0.3045   -0.6245   -1.6877 X   0  0  0  0  0  1  0  0  0  0  0  0
-  7  4  1  0  0  0  0
-  4  8  1  0  0  0  0
-  8  6  1  0  0  0  0
-  6  3  1  0  0  0  0
-  3  2  1  0  0  0  0
-  2  4  1  0  0  0  0
-  4  9  1  0  0  0  0
-  8 12  1  0  0  0  0
-  8 13  1  0  0  0  0
-  6 10  1  0  0  0  0
-  6 11  1  0  0  0  0
-  2  5  1  0  0  0  0
-  2  1  1  0  0  0  0
-M  END
-> <POINTS>
-4-4-8-8-6-6-2-2
-
-$$$$
-- 
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