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 - - ©_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(($ngroup_single == 0)){ - - ©_all_in_one($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 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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 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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 -7154 mol CCC(CC)C(CC)(CC)C(C)C -7155 mol CCC(CC)CCCCCC(C)C -7156 mol CCCC(C(C)C)CCC(C)(C)C -7157 mol CCCC(C)C(C)C(CC)CCC -7158 mol CCCC(C)C(CC)(CC)C(C)C -7159 mol CCCC(C)C(CCC)CC(C)C -7160 mol CCCC(C)CC(C)CC(C)CC -7161 mol CCCC(C)CCC(CC)CCC -7162 mol CCCC(C)CCCCCC(C)C -7163 mol CCCC(CC)(CCC)CC(C)C -7164 mol CCCC(CC)C(C)(CC)C(C)C -7165 mol CCCC(CC)C(C)CCC(C)C -7166 mol CCCC(CC)C(CC)C(C)CC -7167 mol CCCC(CC)C(CC)C(C)(C)C -7168 mol CCCC(CC)C(CC)CC(C)C -7169 mol CCCC(CC)C(CCC)CCC -7170 mol CCCC(CC)C(CCC)C(C)C -7171 mol CCCC(CC)CC(C)(C)C(C)C -7172 mol CCCC(CC)CC(C)CC(C)C -7173 mol CCCC(CC)CC(CC)CCC -7174 mol CCCC(CC)CC(CC)C(C)C -7175 mol CCCC(CC)CCC(CC)CC -7176 mol CCCC(CC)CCCCC(C)C -7177 mol CCCC(CCC(C)C)CC(C)C -7178 mol CCCC(CCCC(C)C)C(C)C -7179 mol CCCCC(C(C)C)C(CC)CC -7180 mol CCCCC(C(C)CC)C(C)CC -7181 mol CCCCC(C)(C)CC(CC)CC -7182 mol CCCCC(C)(CCC)CC(C)C -7183 mol CCCCC(C)C(C(C)C)C(C)C -7184 mol CCCCC(C)C(CC)CC(C)C -7185 mol CCCCC(C)C(CCC)CCC -7186 mol CCCCC(C)C(CCC)C(C)C -7187 mol CCCCC(C)CC(C)CCCC -7188 mol CCCCC(C)CC(C)CC(C)C -7189 mol CCCCC(C)CC(CC)CCC -7190 mol CCCCC(C)CCCCC(C)C -7191 mol CCCCC(CC(C)C)C(C)CC -7192 mol CCCCC(CC(C)C)CC(C)C -7193 mol CCCCC(CC)(CC)CCCC -7194 mol CCCCC(CC)C(C)(C)CCC -7195 mol CCCCC(CC)C(CC)CCC -7196 mol CCCCC(CC)CCC(C)CC -7197 mol CCCCC(CC)CCCC(C)C -7198 mol CCCCC(CCC)C(C)CCC -7199 mol CCCCC(CCC)C(C)(C)CC -7200 mol CCCCC(CCC)C(C)C(C)C -7201 mol CCCCC(CCC)C(CC)CC -7202 mol CCCCC(CCC)CC(C)(C)C -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 -7257 mol CCCC(C)C(CC)C(CC)CCC -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 -7261 mol CCCC(CC)C(C)(C)C(CC)CC -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 -7269 mol CCCC(CC)C(CC)C(CC)CC -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 -7276 mol CCCC(CC)CC(CC)CC(C)C -7277 mol CCCC(CC)CCC(CC)CCC -7278 mol CCCC(CC)CCCC(CC)CC -7279 mol CCCC(CC)CCCCCC(C)C -7280 mol CCCC(CCC(C)C)CC(C)CC -7281 mol CCCC(CCC)C(C)C(CC)CC -7282 mol CCCC(CCC)C(C)CCC(C)C -7283 mol CCCC(CCC)C(CC)CC(C)C -7284 mol CCCC(CCC)CCC(CC)CC -7285 mol CCCC(CCC)CCCCC(C)C -7286 mol CCCC(CCCC(C)C)CC(C)C -7287 mol CCCCC(C(C)C)CCC(C)CC -7288 mol CCCCC(C(C)CC)C(CC)CC -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 -7296 mol CCCCC(C)C(CCCC)C(C)C -7297 mol CCCCC(C)CC(C)(CC)CCC -7298 mol CCCCC(C)CC(C)CC(C)CC -7299 mol CCCCC(C)CC(C)CCC(C)C -7300 mol CCCCC(C)CC(CCC)CCC -7301 mol CCCCC(CC)(CCC)CCCC -7302 mol CCCCC(CC)(CCC)CC(C)C -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 -7306 mol CCCCC(CC)CC(CC)CCC -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 -7326 mol CCCCCC(CC)C(CC)CCC -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 -7380 mol CCCC(C)C(CCC)C(CC)CCC -7381 mol CCCC(C)C(CCC)CC(CC)CC -7382 mol CCCC(C)C(CCC)CCCC(C)C -7383 mol CCCC(C)CC(C(C)C)C(CC)CC -7384 mol CCCC(C)CC(C)CC(CC)CCC -7385 mol CCCC(C)CCC(CCC)CC(C)C -7386 mol CCCC(C)CCCCC(C)C(C)CC -7387 mol CCCC(CC)C(C(C)C)C(CC)CC -7388 mol CCCC(CC)C(C)(C)C(CC)CCC -7389 mol CCCC(CC)C(C)(CC)C(CC)CC -7390 mol CCCC(CC)C(C)C(CCC)CCC -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 -7395 mol CCCC(CC)CC(C)CC(CC)CC -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 -7399 mol CCCC(CC)CCC(CCC)CCC -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 -7404 mol CCCC(CCCCC(C)C)C(C)CC -7405 mol CCCC(CCCCC(C)C)C(C)(C)C -7406 mol CCCC(CCCCCC(C)C)C(C)C -7407 mol CCCCC(C)(CC(C)C)C(C)CCC -7408 mol CCCCC(C)C(CCC)C(CC)CC -7409 mol CCCCC(C)CC(C)C(CC)CCC -7410 mol CCCCC(C)CC(C)CC(CC)CC -7411 mol CCCCC(C)CC(CCC)CCCC -7412 mol CCCCC(C)CCC(CCC)CCC -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 -7417 mol CCCCC(CC)CCCCC(C)CC -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 -7421 mol CCCCC(CCC)C(C)(CC)C(C)C -7422 mol CCCCC(CCC)C(C)CC(C)CC -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 -7428 mol CCCCC(CCC)CC(CC)CCC -7429 mol CCCCC(CCC)CCC(C)CCC -7430 mol CCCCC(CCC)CCCC(C)CC -7431 mol CCCCC(CCCC(C)C)CC(C)C -7432 mol CCCCCC(C(C)C)C(C)CCCC -7433 mol CCCCCC(C(C)C)C(CC)CCC -7434 mol CCCCCC(C)(C)CC(CC)CCC -7435 mol CCCCCC(C)(CC)C(CC)CCC -7436 mol CCCCCC(C)(CCC)CCCCC -7437 mol CCCCCC(C)(CCC)CCC(C)C -7438 mol CCCCCC(C)(CCCC)CC(C)C -7439 mol CCCCCC(C)C(C)C(CC)CCC -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 -7443 mol CCCCCC(C)CCC(CC)CCC -7444 mol CCCCCC(C)CCCCCC(C)C -7445 mol CCCCCC(CC)(CC)CCCCC -7446 mol CCCCCC(CC)(CCC)CC(C)C -7447 mol CCCCCC(CC)C(C(C)C)C(C)C -7448 mol CCCCCC(CC)C(C)CC(C)CC -7449 mol CCCCCC(CC)C(C)CCC(C)C -7450 mol CCCCCC(CC)C(CC)CCCC -7451 mol CCCCCC(CC)C(CCC)CCC -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 -7458 mol CCCCCCC(C(C)C)C(CC)CC -7459 mol CCCCCCC(C)(CC)CCCCC -7460 mol CCCCCCC(C)C(C)CCCCC -7461 mol CCCCCCC(C)C(C)C(CC)CC -7462 mol CCCCCCC(C)C(C)CCC(C)C -7463 mol CCCCCCC(C)C(CC)CCCC -7464 mol CCCCCCC(C)C(CCC)C(C)C -7465 mol CCCCCCC(C)CC(C)CCCC -7466 mol CCCCCCC(C)CC(CC)CCC -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 -7470 mol CCCCCCC(CC(C)C)CC(C)C -7471 mol CCCCCCC(CC)CCCCCC -7472 mol CCCCCCC(CC)(CC)CC(C)C -7473 mol CCCCCCC(CC)C(CC)C(C)C -7474 mol CCCCCCC(CC)CCC(C)CC -7475 mol CCCCCCC(CCC)C(C)CCC -7476 mol CCCCCCC(CCCC)CC(C)C -7477 mol CCCCCCC(CCCCC)C(C)C -7478 mol CCCCCCCC(C)CCCCCC -7479 mol CCCCCCCC(C)(CC)CC(C)C -7480 mol CCCCCCCC(C)C(CC)CCC -7481 mol CCCCCCCC(C)CC(C)CCC -7482 mol CCCCCCCC(C)CC(CC)CC -7483 mol CCCCCCCC(CC)CCCCC -7484 mol CCCCCCCC(CC)C(CC)CC -7485 mol CCCCCCCC(CC)CC(C)CC -7486 mol CCCCCCCC(CCC)CCCC -7487 mol CCCCCCCC(CCC)C(C)(C)C -7488 mol CCCCCCCC(CCCC)C(C)C -7489 mol CCCCCCCCC(C)CCCCC -7490 mol CCCCCCCCC(C)(C)CCCC -7491 mol CCCCCCCCC(C)(C)CC(C)C -7492 mol CCCCCCCCC(C)(CC)CCC -7493 mol CCCCCCCCC(C)CC(C)CC -7494 mol CCCCCCCCC(C)CCC(C)C -7495 mol CCCCCCCCC(CC)CCCC -7496 mol CCCCCCCCC(CC)CC(C)C -7497 mol CCCCCCCCC(CCC)CCC -7498 mol CCCCCCCCC(CCC)C(C)C -7499 mol CCCCCCCCCC(C)CCCC -7500 mol CCCCCCCCCC(C)CC(C)C -7501 mol CCCCCCCCCC(CC)CCC -7502 mol CCCCCCCCCCC(C)CCC -7503 mol CCCCCCCCCCC(CC)CC -7504 mol CCCCCCCCCCCCC(C)C -7505 mol CCCCCCCCCCCCCCCC -7506 mol CC(C)CC(C)CCCCC(C)CC(C)C -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 -7510 mol CCCC(C)C(C)CCC(CC)C(C)CC -7511 mol CCCC(C)C(CC)C(CCC)CC(C)C -7512 mol CCCC(C)C(CCC)C(C)CCC(C)C -7513 mol CCCC(C)CC(C)C(C)C(CC)CCC -7514 mol CCCC(CC(C)C)CCCC(CC)CC -7515 mol CCCC(CC)C(C)(CCC)CC(C)CC -7516 mol CCCC(CC)CC(C)(CCC)CC(C)C -7517 mol CCCC(CC)CC(C)CC(CC)CCC -7518 mol CCCC(CC)CC(CC(C)C)CC(C)C -7519 mol CCCC(CCCC(CC)CC)C(C)CC -7520 mol CCCC(CCCCC(C)C)C(CC)CC -7521 mol CCCCC(C(C)CC)C(C)CC(C)CC -7522 mol CCCCC(C(C)CC)CC(C)CC(C)C -7523 mol CCCCC(C(C)CCC)C(CC)CCC -7524 mol CCCCC(C(CC)CC)C(C)CC(C)C -7525 mol CCCCC(C)C(C(C)C)C(C)CCCC -7526 mol CCCCC(C)C(C(C)C)C(CC)CCC -7527 mol CCCCC(C)C(C)CCCCCC(C)C -7528 mol CCCCC(C)C(CC)(CC)C(CC)CC -7529 mol CCCCC(C)C(CCC)C(CC)CCC -7530 mol CCCCC(C)CC(C)(C)C(CC)CCC -7531 mol CCCCC(C)CC(C)CC(C)CCCC -7532 mol CCCCC(C)CC(C)CC(CC)CCC -7533 mol CCCCC(C)CCC(CCC)CCCC -7534 mol CCCCC(CC(C)C)CC(CC)CCC -7535 mol CCCCC(CC)CCC(CCC)C(C)C -7536 mol CCCCC(CC)CCCC(CC)C(C)C -7537 mol CCCCC(CCC)C(CC(C)C)C(C)C -7538 mol CCCCC(CCC)C(CCC)CCCC -7539 mol CCCCC(CCC)CC(CC)CC(C)C -7540 mol CCCCC(CCC)CCCC(C)CCC -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 -7545 mol CCCCCC(C(C)C)CCC(CC)CC -7546 mol CCCCCC(C)(CC(C)CC)C(C)CC -7547 mol CCCCCC(C)(CCCCC)C(C)CC -7548 mol CCCCCC(C)C(CCCCC)C(C)C -7549 mol CCCCCC(C)CCC(CC)C(C)CC -7550 mol CCCCCC(C)CCCCCCC(C)C -7551 mol CCCCCC(CC(C)C)C(CC)CCC -7552 mol CCCCCC(CC(C)C)CC(CC)CC -7553 mol CCCCCC(CC)C(CCC)CCCC -7554 mol CCCCCC(CC)C(CCCC)C(C)C -7555 mol CCCCCC(CC)CCCC(C)CCC -7556 mol CCCCCC(CCC)(CCC)CCCC -7557 mol CCCCCC(CCCC)C(CC)CCC -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 -15615 mol C=COC(=C)C#C -15616 mol C=COC#CC=C -15617 mol C=COC#CC#C -15618 mol C#COC=CC=C -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 -15629 mol CC(OC=C)C#C -15630 mol CC(OC#C)C#C -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 -15662 mol CCOC(C)C(C)C -15663 mol CCOC(CC)CC -15664 mol CCOCC(C)CC -15665 mol CCOCC(C)(C)C -15666 mol CCOCCC(C)C -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 -15689 mol CCOC(C)(CC)CC -15690 mol CCOC(C)C(C)CC -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 -15701 mol CCOC(C)CC(C)CC -15702 mol CCOC(CC)(CC)CC -15703 mol CCOC(CC)C(C)CC -15704 mol CCOCC(C)CCCC -15705 mol CCOCC(C)(C)CCC -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 -15799 mol CCOC(C)C(C)OC(C)C -15800 mol CCOC(CCC)OC(C)C -15801 mol CCOC(C(C)C)OC(C)CC -15802 mol CCOC(C)(C)COC(C)CC -15803 mol CCOC(C)C(C)OC(C)CC -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 -20609 mol OC(C)C(C)c1ccccc1 -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 -20618 mol OC(C)C(C)C1CCCCC1 -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 -20680 mol OCC(C=C)c1cocc1 -20681 mol OCC(C)Cc1cocc1 -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 -20719 mol O=CCCCC=C -20720 mol OC=C=CC=C=C -20721 mol OC=C(C#C)C=C -20722 mol OC=C(C#C)C#C -20723 mol OC=CC#CC=C -20724 mol OC=CC#CC#C -20725 mol OC(=C=C)C=C=C -20726 mol OC(=C)C=CC=C -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 -20734 mol OC(C)CC(C)C -20735 mol OC(C)CCC=C -20736 mol OC(C)CCC#C -20737 mol OC(C#C)=CC=C -20738 mol OC(C#C)=CC#C -20739 mol OC(CC=C)C=C -20740 mol OC(CC=C)C#C -20741 mol OC(CC#C)C#C -20742 mol OC#CC#CC=C -20743 mol OC#CC#CC#C -20744 mol OCC(C=C)C=C -20745 mol OCC(C)(C)CC -20746 mol OCC(C)(C)C#C -20747 mol OCC(C)C=C=C -20748 mol OCC(C)C(C)C -20749 mol OCC(C)CC=C -20750 mol OCC(C)CC#C -20751 mol OCC(C#C)C=C -20752 mol OCC(C#C)C#C -20753 mol OCC(CC)CC -20754 mol OCC(CC)C=C -20755 mol OCC(CC)C#C -20756 mol OCCC(C)CC -20757 mol OCCC(C)(C)C -20758 mol OCCC(C)C=C -20759 mol OCCC(C)C#C -20760 mol OCCC#CC=C -20761 mol OCCCC=C=C -20762 mol OCCCC(C)C -20763 mol OCCCCC=C -20764 mol OCCCCC#C -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 -20775 mol OCC(C)C(C)c1ccccc1 -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 -20790 mol O=CCC(C=C)c1cocc1 -20791 mol OC(C)C(C)Cc1cocc1 -20792 mol OC(CCC=C)c1cocc1 -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 -20799 mol O=CC=C(C=C)C=C -20800 mol O=CC=CC=CC=C -20801 mol O=CC#CC#CC=C -20802 mol O=CCC(C=C)C=C -20803 mol O=CCCCCC=C -20804 mol OC(C=C)=C=CC=C -20805 mol OC(C=C)C=CC=C -20806 mol OC(C(C)C#C)C#C -20807 mol OC(C)(C)C(C)C#C -20808 mol OC(C)(C)CCC#C -20809 mol OC(C)(CC=C)C=C -20810 mol OC(C)C(C)C(C)C -20811 mol OC(C)C(C)CC=C -20812 mol OC(C)C(C#C)C#C -20813 mol OC(C)CCC(C)C -20814 mol OC(C#C)=C(C)C#C -20815 mol OC(CCC=C)C=C -20816 mol OC#CC#CC#CC -20817 mol OCC(C)(C=C)C=C -20818 mol OCC(C)(C)CC=C -20819 mol OCC(C)(C#C)C#C -20820 mol OCC(C)(CC)CC -20821 mol OCC(C)C(C)CC -20822 mol OCC(C)CC=C=C -20823 mol OCC(C)CC(C)C -20824 mol OCC(CC)C(C)C -20825 mol OCC(CC#C)C#C -20826 mol OCCC(C)CCC -20827 mol OCCC(C)C(C)C -20828 mol OCCC(C#C)C#C -20829 mol OCCC(CC)CC -20830 mol OCCC(CC)C=C -20831 mol OCCCC(C)CC -20832 mol OCCCCC(C)C -20833 mol OC(C)Cc(ccc1)cc1O -20834 mol OC(CCCc(cc1)ccc1C)=O -20835 mol O=CCCCc(cc1)ccc1O -20836 mol OCCCC(CC)C1CCCCC1 -20837 mol O=CC(C=C)=C=CC1CCCO1 -20838 mol OC=C(C=C)C=CC1CCCO1 -20839 mol OC=CC=CC=CC1CCCO1 -20840 mol OCC(C)(CC)CC1CC=CO1 -20841 mol OCCC(CCC)C1CCCO1 -20842 mol O=CC(C=C)=C=CC1C=COC1 -20843 mol OC=C(C=C)C=CC1C=COC1 -20844 mol OC#CC#CC#CC1CCOC1 -20845 mol OCC(C)C(C#C)C1C=COC1 -20846 mol OC=C(C=C)C=Cc1cocc1 -20847 mol OC#CC#CC#Cc1cocc1 -20848 mol OCCC(CC)Cc1cocc1 -20849 mol OCCCC(CC)c1cocc1 -20850 mol OCC(CCC=C)C1=COCC1 -20851 mol OCCC(CC=C)C1=COCC1 -20852 mol OCCCC(CC)C1=COCC1 -20853 mol OC(CCC=C)Cc1occc1 -20854 mol OC#CC#CC#Cc1occc1 -20855 mol OCC(CCC=C)c1occc1 -20856 mol OCCCCCCCC -20857 mol OC=C=C(C=C)C=C=C -20858 mol OC=C(C=C=C)C=C=C -20859 mol OC=C(C=C)C=CC=C -20860 mol OC=CC#CC#CC=C -20861 mol OC(=CC=C)C=CC=C -20862 mol OC(C=C=C)=CC=C=C -20863 mol OC(C=C)=C(C=C)C=C -20864 mol OC(C=C)=CC=CC=C -20865 mol OC(C(C)(C)C=C)C=C -20866 mol OC(C(C)(C)C#C)C#C -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 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-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. 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zS&#`3{3i;#Iao6m`d$=>5g_toGRzpHohj(9K;Ogw(g?xdQ<-pVX+SpveTfZ3KZu-L z408f_sSVPC8+0?!=O{qBA$UO@%nZ~S3v?4u2kanvA>`F&B%eTs@6dIl_WU9GAmpib tB;AN{0CWRTdu0%<5Hi0D*#KxCEx?<V4J56>puzBii-Ezbmx+Oa0RT~=Sc?Dv 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 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -0.9004 -0.4551 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3112 0.1848 2.2889 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.9806 -0.2860 1.7976 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.6700 -1.5187 1.8230 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 - 1 4 1 0 0 0 0 - 1 5 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -1-1-1-1 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -2.4606 -0.8792 -0.6635 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.3694 -1.0346 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.1223 -0.8177 -1.8697 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.1443 -2.1048 -0.6086 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -2.0268 1.5131 0.0241 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.9410 1.3487 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3774 2.0344 0.5214 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.7135 1.6189 -1.2021 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 3.6556 1.4989 -1.0807 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3.1160 0.6174 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7408 0.7138 -0.5180 X 0 0 0 0 0 0 0 0 0 0 0 0 - 3.7396 -0.4683 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -2-2 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - 1.4061 -1.4982 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9206 -0.3471 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7408 0.7138 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.1160 0.6174 -0.7630 X 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 5 1 0 0 0 0 - 2 1 2 0 0 0 0 -M END -> <POINTS> -2-4 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034 - RDKit 3D - - 8 7 0 0 0 0 0 0 0 0999 V2000 - -1.1727 1.0703 0.6574 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6425 0.4700 -1.7150 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1913 0.4668 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6160 -1.2834 0.1107 X 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1257 -0.3944 -0.7646 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4188 0.3036 1.1179 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1.4000 1.5386 -0.1748 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 6 1 0 0 0 0 - 2 5 1 0 0 0 0 - 4 7 1 0 0 0 0 - 4 8 1 0 0 0 0 -M END -> <tempXatom> -6 -> <POINTS> -2-2-4-2-4-4 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -0.5817 -2.7073 1.6553 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.3836 -1.7464 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6160 -1.2834 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.0798 -2.0759 -0.7545 O 0 0 0 0 0 0 0 0 0 0 0 0 - 4 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 3 5 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -3-2 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.1727 1.0703 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.9877 2.1419 0.4263 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.9424 0.9053 1.7324 X 0 0 0 0 0 1 0 0 0 0 0 0 - -2.2529 0.8608 0.4976 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 - 1 4 1 0 0 0 0 - 1 5 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -1-1-1-1 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -0.3942 1.5249 -1.9618 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.6425 0.4700 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7256 0.3139 -1.9109 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0697 -0.1904 -2.4008 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 2.1209 -1.4717 -0.6350 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.1257 -0.3944 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1913 0.4668 0.0419 X 0 0 0 0 0 0 0 0 0 0 0 0 - 2.8977 0.1108 -1.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -2-2 - -$$$$ -mol----------CC(C)C(C=O)C(O)=O----------No.12035 - RDKit 3D - - 8 7 0 0 0 0 0 0 0 0999 V2000 - -0.8752 -1.3047 -0.9914 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7053 -0.0318 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7784 -0.0142 0.9588 X 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7253 0.0633 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.8820 0.8460 -0.8053 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.8971 1.3226 1.2644 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7788 0.0503 -0.6169 X 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8873 -0.8145 1.1243 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 6 1 0 0 0 0 - 4 7 1 0 0 0 0 - 2 5 1 0 0 0 0 - 4 8 1 0 0 0 0 -M END -> <tempXatom> -6 -> <POINTS> -2-2-4-4-2-4 - -$$$$ -mol----------CC(C)C(C=O)C(O)=O----------No.12035 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - 2.4888 1.0344 -2.3314 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1.7856 1.0342 -1.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7788 0.0503 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7253 0.0633 0.4569 X 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6578 -0.8528 -0.6273 O 0 0 0 0 0 0 0 0 0 0 0 0 - 4 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 3 5 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -7 -> <POINTS> -3-2 - -$$$$ -mol----------CC(C)C(C=O)C(O)=O----------No.12035 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -0.8752 -1.3047 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7053 -0.0318 -0.1437 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6688 -2.2108 -0.3820 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.9110 -1.3690 -1.3881 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1870 -1.2921 -1.8624 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 - 1 4 1 0 0 0 0 - 1 5 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -1-1-1-1 - -$$$$ -mol----------CC(C)C(C=O)C(O)=O----------No.12035 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -2.7917 -0.1082 0.5128 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7784 -0.0142 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7053 -0.0318 -0.1437 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6219 -0.8531 1.6706 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7505 0.9436 1.5194 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)C(C=O)C(O)=O----------No.12035 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 0.7516 2.2923 0.7980 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.8971 1.3226 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7253 0.0633 0.4569 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1994 1.2645 2.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -2-2 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.8547 -1.5309 0.1648 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0525 0.9588 -0.1802 X 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0258 -0.2295 -0.7368 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.8005 -0.5141 -1.7415 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 -M END -> <tempXatom> -6 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.8547 -1.5309 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4206 -2.4707 -0.2398 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.5053 -1.3952 1.2115 X 0 0 0 0 0 1 0 0 0 0 0 0 - -2.9608 -1.6343 0.1669 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 - 1 4 1 0 0 0 0 - 1 5 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -1-1-1-1 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -1.7610 1.8097 -0.8330 X 0 0 0 0 0 1 0 0 0 0 0 0 - -2.0525 0.9588 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 X 0 0 0 0 0 0 0 0 0 0 0 0 - -3.1611 0.8862 -0.1820 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7086 1.1671 0.8564 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036 - RDKit 3D - - 6 5 0 0 0 0 0 0 0 0999 V2000 - 5.1833 0.3283 -0.6608 X 0 0 0 0 0 1 0 0 0 0 0 0 - 4.6735 0.8662 0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2878 0.7932 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.5927 -0.0291 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6744 1.4718 0.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2278 -0.1359 -0.7623 X 0 0 0 0 0 0 0 0 0 0 0 0 - 6 4 1 0 0 0 0 - 4 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 3 5 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -4-2 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 2.5927 -0.0291 -0.7902 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2278 -0.1359 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0258 -0.2295 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 X 0 0 0 0 0 0 0 0 0 0 0 0 - 4 3 1 0 0 0 0 - 3 2 3 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -3-2 - -$$$$ -mol----------OCC1CCOC1----------No.19998 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -2.4139 0.4049 1.0227 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1863 -0.2325 0.3900 X 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7920 0.4210 -0.9447 X 0 0 0 0 0 1 0 0 0 0 0 0 - -2.0330 -1.2081 -0.1979 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 -M END -> <tempXatom> -1 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------OCC1CCOC1----------No.19998 - RDKit 3D - - 3 2 0 0 0 0 0 0 0 0999 V2000 - -2.4139 0.4049 1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 X 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3556 0.4145 0.7097 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -1-1 - -$$$$ -mol----------OCC1CCOC1----------No.19998 - RDKit 3D - - 13 13 0 0 0 0 0 0 0 0999 V2000 - 0.3386 1.4833 1.6133 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.4471 1.1384 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8140 1.0534 0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1863 -0.2325 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.0303 1.8894 -0.1048 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.0152 -0.1644 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 X 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6819 -0.8553 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.0787 -0.8096 1.3370 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.6808 -0.8113 0.1594 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.5122 0.0312 -1.4265 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.7623 -1.9566 -0.5355 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.3045 -0.6245 -1.6877 X 0 0 0 0 0 1 0 0 0 0 0 0 - 7 4 1 0 0 0 0 - 4 8 1 0 0 0 0 - 8 6 1 0 0 0 0 - 6 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 9 1 0 0 0 0 - 8 12 1 0 0 0 0 - 8 13 1 0 0 0 0 - 6 10 1 0 0 0 0 - 6 11 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -4-4-8-8-6-6-2-2 - -$$$$ -mol----------O=CC1CCOC1----------No.19999 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 2.8353 0.5730 -0.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9801 0.0575 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5998 -0.1869 -0.3574 X 0 0 0 0 0 0 0 0 0 0 0 0 - 2.2337 -0.2305 1.2079 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 2 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 -M END -> <POINTS> -2-2 - -$$$$ -mol----------O=CC1CCOC1----------No.19999 - RDKit 3D - - 13 13 0 0 0 0 0 0 0 0999 V2000 - 0.0781 1.3932 -1.7514 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1319 1.0984 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5159 0.8915 -0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5998 -0.1869 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.1828 1.9296 -0.0309 X 0 0 0 0 0 1 0 0 0 0 0 0 - -1.6848 -0.2993 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9801 0.0575 0.1922 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3292 -0.8258 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6690 -0.8301 -1.2639 X 0 0 0 0 0 1 0 0 0 0 0 0 - -2.1929 -1.0496 -0.4402 X 0 0 0 0 0 1 0 0 0 0 0 0 - -2.3259 -0.1032 1.0898 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1154 -0.4819 1.6723 X 0 0 0 0 0 1 0 0 0 0 0 0 - -0.2828 -1.9358 0.5880 X 0 0 0 0 0 1 0 0 0 0 0 0 - 7 4 1 0 0 0 0 - 4 8 1 0 0 0 0 - 8 6 1 0 0 0 0 - 6 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 9 1 0 0 0 0 - 8 12 1 0 0 0 0 - 8 13 1 0 0 0 0 - 6 10 1 0 0 0 0 - 6 11 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -4-4-8-8-6-6-2-2 - -$$$$ diff --git a/workspace/Initialisation/Output/mol_group_info.txt b/workspace/Initialisation/Output/mol_group_info.txt deleted file mode 100644 index a7390b7..0000000 --- a/workspace/Initialisation/Output/mol_group_info.txt +++ /dev/null @@ -1,82 +0,0 @@ -# # # # # # # # # # # # - -# molecule information - -# -Summary of the functional groups of each molecule - -# # # # # # # # # # # # - -Nr.1: mol----------CC(C)(C)C(OC=O)=O----------No.12033 - -There are 4 functional groups: 3 single groups, 1 multi groups and 0 cycles. - -group Nr. relevant atoms - --C(=O)O 1 [ 5-9-6+6-5 ] --C(H)(H)H 3 [ 1-10-11-12 3-13-14-15 4-16-17-18 ] - -$$$$ - - -Nr.2: mol----------CC(C)(CC=O)C(O)=O----------No.12034 - -There are 4 functional groups: 3 single groups, 1 multi groups and 0 cycles. - -group Nr. relevant atoms - --C(=O)OH 1 [ 7-9-8 ] --C(H)(H)H 2 [ 1-10-11-12 3-13-14-15 ] --C=O 1 [ 5-6-18 ] - -$$$$ - - -Nr.3: mol----------CC(C)C(C=O)C(O)=O----------No.12035 - -There are 4 functional groups: 3 single groups, 1 multi groups and 0 cycles. - -group Nr. relevant atoms - --C(=O)OH 1 [ 7-9-8 ] --C(H)(H)H 2 [ 1-10-11-12 3-14-15-16 ] --C=O 1 [ 5-6-18 ] - -$$$$ - - -Nr.4: mol----------CC(C)C#COC(O)=O----------No.12036 - -There are 3 functional groups: 2 single groups, 1 multi groups and 0 cycles. - -group Nr. relevant atoms - --C(H)(H)H 2 [ 1-10-11-12 3-14-15-16 ] --C+C 1 [ 4-5+5-4 ] - -$$$$ - - -Nr.5: mol----------OCC1CCOC1----------No.19998 - -There are 2 functional groups: 1 single groups, 1 multi groups and 1 cycles. - -group Nr. relevant atoms - --OH 1 [ 1-8 ] --cycle 1 [ 7-6-5-4-3 ] - -$$$$ - - -Nr.6: mol----------O=CC1CCOC1----------No.19999 - -There are 2 functional groups: 0 single groups, 2 multi groups and 1 cycles. - -group Nr. relevant atoms - --C=O 1 [ 2-1-8 ] --cycle 1 [ 7-6-5-4-3 ] - -$$$$ - - diff --git a/workspace/Initialisation/Output/screen.sdf b/workspace/Initialisation/Output/screen.sdf deleted file mode 100644 index 59f4646..0000000 --- a/workspace/Initialisation/Output/screen.sdf +++ /dev/null @@ -1,280 +0,0 @@ -mol----------CC(C)(C)C(OC=O)=O----------No.12033 - RDKit 3D - - 19 18 0 0 0 0 0 0 0 0999 V2000 - -0.9004 -0.4551 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3694 -1.0346 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.9410 1.3487 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9206 -0.3471 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7408 0.7138 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.1160 0.6174 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.7396 -0.4683 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4061 -1.4982 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3112 0.1848 2.2889 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.9806 -0.2860 1.7976 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.6700 -1.5187 1.8230 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.1223 -0.8177 -1.8697 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.1443 -2.1048 -0.6086 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.4606 -0.8792 -0.6635 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.3774 2.0344 0.5214 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.7135 1.6189 -1.2021 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.0268 1.5131 0.0241 H 0 0 0 0 0 1 0 0 0 0 0 0 - 3.6556 1.4989 -1.0807 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 2 5 1 0 - 5 6 1 0 - 6 7 1 0 - 7 8 2 0 - 5 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 3 13 1 0 - 3 14 1 0 - 3 15 1 0 - 4 16 1 0 - 4 17 1 0 - 4 18 1 0 - 7 19 1 0 -M END -> <UFF-energy> (1) -10.513002520363694 - -> <number_rotbonds> (1) -1 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034 - RDKit 3D - - 19 18 0 0 0 0 0 0 0 0999 V2000 - -1.1727 1.0703 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6425 0.4700 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1913 0.4668 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1257 -0.3944 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.8977 0.1108 -1.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6160 -1.2834 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3836 -1.7464 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.0798 -2.0759 -0.7545 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.9877 2.1419 0.4263 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.9424 0.9053 1.7324 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.2529 0.8608 0.4976 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7256 0.3139 -1.9109 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0697 -0.1904 -2.4008 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.3942 1.5249 -1.9618 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1.4188 0.3036 1.1179 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1.4000 1.5386 -0.1748 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.1209 -1.4717 -0.6350 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.5817 -2.7073 1.6553 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 4 5 1 0 - 5 6 2 0 - 2 7 1 0 - 7 8 1 0 - 7 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 3 13 1 0 - 3 14 1 0 - 3 15 1 0 - 4 16 1 0 - 4 17 1 0 - 5 18 1 0 - 8 19 1 0 -M END -> <UFF-energy> (1) -9.5430231220245894 - -> <number_rotbonds> (1) -3 - -$$$$ -mol----------CC(C)C(C=O)C(O)=O----------No.12035 - RDKit 3D - - 19 18 0 0 0 0 0 0 0 0999 V2000 - -0.8752 -1.3047 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7053 -0.0318 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7784 -0.0142 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7253 0.0633 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8971 1.3226 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1994 1.2645 2.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7788 0.0503 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7856 1.0342 -1.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6578 -0.8528 -0.6273 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6688 -2.2108 -0.3820 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.9110 -1.3690 -1.3881 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1870 -1.2921 -1.8624 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.8820 0.8460 -0.8053 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.6219 -0.8531 1.6706 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7505 0.9436 1.5194 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.7917 -0.1082 0.5128 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.8873 -0.8145 1.1243 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.7516 2.2923 0.7980 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.4888 1.0344 -2.3314 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 4 5 1 0 - 5 6 2 0 - 4 7 1 0 - 7 8 1 0 - 7 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 2 13 1 0 - 3 14 1 0 - 3 15 1 0 - 3 16 1 0 - 4 17 1 0 - 5 18 1 0 - 8 19 1 0 -M END -> <UFF-energy> (1) -7.9254368114613918 - -> <number_rotbonds> (1) -3 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036 - RDKit 3D - - 17 16 0 0 0 0 0 0 0 0999 V2000 - -1.8547 -1.5309 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0525 0.9588 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0258 -0.2295 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2278 -0.1359 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.5927 -0.0291 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2878 0.7932 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.6735 0.8662 0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6744 1.4718 0.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4206 -2.4707 -0.2398 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.5053 -1.3952 1.2115 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.9608 -1.6343 0.1669 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.8005 -0.5141 -1.7415 H 0 0 0 0 0 1 0 0 0 0 0 0 - -3.1611 0.8862 -0.1820 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7086 1.1671 0.8564 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7610 1.8097 -0.8330 H 0 0 0 0 0 1 0 0 0 0 0 0 - 5.1833 0.3283 -0.6608 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 4 5 3 0 - 5 6 1 0 - 6 7 1 0 - 7 8 1 0 - 7 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 2 13 1 0 - 3 14 1 0 - 3 15 1 0 - 3 16 1 0 - 8 17 1 0 -M END -> <UFF-energy> (1) -2.9637267062822668 - -> <number_rotbonds> (1) -0 - -$$$$ -mol----------OCC1CCOC1----------No.19998 - RDKit 3D - - 17 17 0 0 0 0 0 0 0 0999 V2000 - -2.4139 0.4049 1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1863 -0.2325 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6819 -0.8553 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.0152 -0.1644 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8140 1.0534 0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4471 1.1384 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3556 0.4145 0.7097 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7920 0.4210 -0.9447 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.0330 -1.2081 -0.1979 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0787 -0.8096 1.3370 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.7623 -1.9566 -0.5355 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.3045 -0.6245 -1.6877 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.6808 -0.8113 0.1594 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.5122 0.0312 -1.4265 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0303 1.8894 -0.1048 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.3386 1.4833 1.6133 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 3 4 1 0 - 4 5 1 0 - 5 6 1 0 - 6 7 1 0 - 7 3 1 0 - 1 8 1 0 - 2 9 1 0 - 2 10 1 0 - 3 11 1 0 - 4 12 1 0 - 4 13 1 0 - 5 14 1 0 - 5 15 1 0 - 7 16 1 0 - 7 17 1 0 -M END -> <UFF-energy> (1) -12.151935219387275 - -> <number_rotbonds> (1) -1 - -$$$$ -mol----------O=CC1CCOC1----------No.19999 - RDKit 3D - - 15 15 0 0 0 0 0 0 0 0999 V2000 - 2.8353 0.5730 -0.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9801 0.0575 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5998 -0.1869 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3292 -0.8258 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6848 -0.2993 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5159 0.8915 -0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1319 1.0984 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.2337 -0.2305 1.2079 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.6690 -0.8301 -1.2639 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1154 -0.4819 1.6723 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.2828 -1.9358 0.5880 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.1929 -1.0496 -0.4402 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.3259 -0.1032 1.0898 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.1828 1.9296 -0.0309 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.0781 1.3932 -1.7514 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 2 0 - 2 3 1 0 - 3 4 1 0 - 4 5 1 0 - 5 6 1 0 - 6 7 1 0 - 7 3 1 0 - 2 8 1 0 - 3 9 1 0 - 4 10 1 0 - 4 11 1 0 - 5 12 1 0 - 5 13 1 0 - 7 14 1 0 - 7 15 1 0 -M END -> <UFF-energy> (1) -11.382690902456853 - -> <number_rotbonds> (1) -1 - -$$$$ diff --git a/workspace/Initialisation/Output/sdf/0_.sdf b/workspace/Initialisation/Output/sdf/0_.sdf deleted file mode 100644 index 24e57ca..0000000 --- a/workspace/Initialisation/Output/sdf/0_.sdf +++ /dev/null @@ -1,49 +0,0 @@ - - RDKit 3D - - 19 18 0 0 0 0 0 0 0 0999 V2000 - -0.9004 -0.4551 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3694 -1.0346 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.9410 1.3487 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9206 -0.3471 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7408 0.7138 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.1160 0.6174 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 - 3.7396 -0.4683 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4061 -1.4982 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3112 0.1848 2.2889 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.9806 -0.2860 1.7976 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.6700 -1.5187 1.8230 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.1223 -0.8177 -1.8697 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.1443 -2.1048 -0.6086 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.4606 -0.8792 -0.6635 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.3774 2.0344 0.5214 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.7135 1.6189 -1.2021 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.0268 1.5131 0.0241 H 0 0 0 0 0 1 0 0 0 0 0 0 - 3.6556 1.4989 -1.0807 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 2 5 1 0 - 5 6 1 0 - 6 7 1 0 - 7 8 2 0 - 5 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 3 13 1 0 - 3 14 1 0 - 3 15 1 0 - 4 16 1 0 - 4 17 1 0 - 4 18 1 0 - 7 19 1 0 -M END -> <UFF-energy> (1) -10.513002520363694 - -> <number_rotbonds> (1) -1 - -$$$$ diff --git a/workspace/Initialisation/Output/sdf/1_.sdf b/workspace/Initialisation/Output/sdf/1_.sdf deleted file mode 100644 index 753c460..0000000 --- a/workspace/Initialisation/Output/sdf/1_.sdf +++ /dev/null @@ -1,49 +0,0 @@ - - RDKit 3D - - 19 18 0 0 0 0 0 0 0 0999 V2000 - -1.1727 1.0703 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6425 0.4700 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1913 0.4668 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1257 -0.3944 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.8977 0.1108 -1.5638 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6160 -1.2834 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3836 -1.7464 1.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.0798 -2.0759 -0.7545 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.9877 2.1419 0.4263 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.9424 0.9053 1.7324 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.2529 0.8608 0.4976 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7256 0.3139 -1.9109 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0697 -0.1904 -2.4008 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.3942 1.5249 -1.9618 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1.4188 0.3036 1.1179 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1.4000 1.5386 -0.1748 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.1209 -1.4717 -0.6350 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.5817 -2.7073 1.6553 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 4 5 1 0 - 5 6 2 0 - 2 7 1 0 - 7 8 1 0 - 7 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 3 13 1 0 - 3 14 1 0 - 3 15 1 0 - 4 16 1 0 - 4 17 1 0 - 5 18 1 0 - 8 19 1 0 -M END -> <UFF-energy> (1) -9.5430231220245894 - -> <number_rotbonds> (1) -3 - -$$$$ diff --git a/workspace/Initialisation/Output/sdf/2_.sdf b/workspace/Initialisation/Output/sdf/2_.sdf deleted file mode 100644 index 6f3ca37..0000000 --- a/workspace/Initialisation/Output/sdf/2_.sdf +++ /dev/null @@ -1,49 +0,0 @@ - - RDKit 3D - - 19 18 0 0 0 0 0 0 0 0999 V2000 - -0.8752 -1.3047 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.7053 -0.0318 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.7784 -0.0142 0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.7253 0.0633 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.8971 1.3226 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1994 1.2645 2.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7788 0.0503 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7856 1.0342 -1.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6578 -0.8528 -0.6273 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6688 -2.2108 -0.3820 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.9110 -1.3690 -1.3881 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1870 -1.2921 -1.8624 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.8820 0.8460 -0.8053 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.6219 -0.8531 1.6706 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7505 0.9436 1.5194 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.7917 -0.1082 0.5128 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.8873 -0.8145 1.1243 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.7516 2.2923 0.7980 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.4888 1.0344 -2.3314 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 4 5 1 0 - 5 6 2 0 - 4 7 1 0 - 7 8 1 0 - 7 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 2 13 1 0 - 3 14 1 0 - 3 15 1 0 - 3 16 1 0 - 4 17 1 0 - 5 18 1 0 - 8 19 1 0 -M END -> <UFF-energy> (1) -7.9254368114613918 - -> <number_rotbonds> (1) -3 - -$$$$ diff --git a/workspace/Initialisation/Output/sdf/3_.sdf b/workspace/Initialisation/Output/sdf/3_.sdf deleted file mode 100644 index 20e6961..0000000 --- a/workspace/Initialisation/Output/sdf/3_.sdf +++ /dev/null @@ -1,45 +0,0 @@ - - RDKit 3D - - 17 16 0 0 0 0 0 0 0 0999 V2000 - -1.8547 -1.5309 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 - -2.0525 0.9588 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0258 -0.2295 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2278 -0.1359 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.5927 -0.0291 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2878 0.7932 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 - 4.6735 0.8662 0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6744 1.4718 0.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4206 -2.4707 -0.2398 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.5053 -1.3952 1.2115 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.9608 -1.6343 0.1669 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.8005 -0.5141 -1.7415 H 0 0 0 0 0 1 0 0 0 0 0 0 - -3.1611 0.8862 -0.1820 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7086 1.1671 0.8564 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7610 1.8097 -0.8330 H 0 0 0 0 0 1 0 0 0 0 0 0 - 5.1833 0.3283 -0.6608 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 2 4 1 0 - 4 5 3 0 - 5 6 1 0 - 6 7 1 0 - 7 8 1 0 - 7 9 2 0 - 1 10 1 0 - 1 11 1 0 - 1 12 1 0 - 2 13 1 0 - 3 14 1 0 - 3 15 1 0 - 3 16 1 0 - 8 17 1 0 -M END -> <UFF-energy> (1) -2.9637267062822668 - -> <number_rotbonds> (1) -0 - -$$$$ diff --git a/workspace/Initialisation/Output/sdf/4_.sdf b/workspace/Initialisation/Output/sdf/4_.sdf deleted file mode 100644 index ec11e93..0000000 --- a/workspace/Initialisation/Output/sdf/4_.sdf +++ /dev/null @@ -1,46 +0,0 @@ - - RDKit 3D - - 17 17 0 0 0 0 0 0 0 0999 V2000 - -2.4139 0.4049 1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1863 -0.2325 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6819 -0.8553 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.0152 -0.1644 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8140 1.0534 0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.4471 1.1384 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3556 0.4145 0.7097 H 0 0 0 0 0 1 0 0 0 0 0 0 - -1.7920 0.4210 -0.9447 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.0330 -1.2081 -0.1979 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0787 -0.8096 1.3370 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.7623 -1.9566 -0.5355 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.3045 -0.6245 -1.6877 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.6808 -0.8113 0.1594 H 0 0 0 0 0 1 0 0 0 0 0 0 - 2.5122 0.0312 -1.4265 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.0303 1.8894 -0.1048 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.3386 1.4833 1.6133 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 - 2 3 1 0 - 3 4 1 0 - 4 5 1 0 - 5 6 1 0 - 6 7 1 0 - 7 3 1 0 - 1 8 1 0 - 2 9 1 0 - 2 10 1 0 - 3 11 1 0 - 4 12 1 0 - 4 13 1 0 - 5 14 1 0 - 5 15 1 0 - 7 16 1 0 - 7 17 1 0 -M END -> <UFF-energy> (1) -12.151935219387275 - -> <number_rotbonds> (1) -1 - -$$$$ diff --git a/workspace/Initialisation/Output/sdf/5_.sdf b/workspace/Initialisation/Output/sdf/5_.sdf deleted file mode 100644 index 212046e..0000000 --- a/workspace/Initialisation/Output/sdf/5_.sdf +++ /dev/null @@ -1,42 +0,0 @@ - - RDKit 3D - - 15 15 0 0 0 0 0 0 0 0999 V2000 - 2.8353 0.5730 -0.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.9801 0.0575 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.5998 -0.1869 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3292 -0.8258 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6848 -0.2993 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.5159 0.8915 -0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1319 1.0984 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.2337 -0.2305 1.2079 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.6690 -0.8301 -1.2639 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.1154 -0.4819 1.6723 H 0 0 0 0 0 1 0 0 0 0 0 0 - -0.2828 -1.9358 0.5880 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.1929 -1.0496 -0.4402 H 0 0 0 0 0 1 0 0 0 0 0 0 - -2.3259 -0.1032 1.0898 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.1828 1.9296 -0.0309 H 0 0 0 0 0 1 0 0 0 0 0 0 - 0.0781 1.3932 -1.7514 H 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 2 0 - 2 3 1 0 - 3 4 1 0 - 4 5 1 0 - 5 6 1 0 - 6 7 1 0 - 7 3 1 0 - 2 8 1 0 - 3 9 1 0 - 4 10 1 0 - 4 11 1 0 - 5 12 1 0 - 5 13 1 0 - 7 14 1 0 - 7 15 1 0 -M END -> <UFF-energy> (1) -11.382690902456853 - -> <number_rotbonds> (1) -1 - -$$$$ diff --git a/workspace/Initialisation/Output/unique.sdf b/workspace/Initialisation/Output/unique.sdf deleted file mode 100644 index a2557e2..0000000 --- a/workspace/Initialisation/Output/unique.sdf +++ /dev/null @@ -1,167 +0,0 @@ -mol----------CC(C)(C)C(OC=O)=O----------No.12033---frag.1 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - -0.9004 -0.4551 1.5966 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.3694 -1.0346 -0.8078 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.9410 1.3487 -0.1480 X 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9206 -0.3471 -0.1023 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 2 5 1 0 0 0 0 -M END -> <tempXatom> -7 -> <POINTS> -2-2-2-2 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033---frag.5 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 3.6556 1.4989 -1.0807 X 0 0 0 0 0 1 0 0 0 0 0 0 - 3.1160 0.6174 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7408 0.7138 -0.5180 X 0 0 0 0 0 0 0 0 0 0 0 0 - 3.7396 -0.4683 -0.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -2-2 - -$$$$ -mol----------CC(C)(C)C(OC=O)=O----------No.12033---frag.6 - RDKit 3D - - 5 4 0 0 0 0 0 0 0 0999 V2000 - 1.4061 -1.4982 0.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 - 0.9206 -0.3471 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.5612 -0.1201 0.1319 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.7408 0.7138 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.1160 0.6174 -0.7630 X 0 0 0 0 0 0 0 0 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 5 1 0 0 0 0 - 2 1 2 0 0 0 0 -M END -> <POINTS> -2-4 - -$$$$ -mol----------CC(C)(CC=O)C(O)=O----------No.12034---frag.7 - RDKit 3D - - 8 7 0 0 0 0 0 0 0 0999 V2000 - -1.1727 1.0703 0.6574 X 0 0 0 0 0 0 0 0 0 0 0 0 - -0.3055 0.1625 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6425 0.4700 -1.7150 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.1913 0.4668 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.6160 -1.2834 0.1107 X 0 0 0 0 0 0 0 0 0 0 0 0 - 2.1257 -0.3944 -0.7646 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.4188 0.3036 1.1179 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1.4000 1.5386 -0.1748 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 2 3 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 6 1 0 0 0 0 - 2 5 1 0 0 0 0 - 4 7 1 0 0 0 0 - 4 8 1 0 0 0 0 -M END -> <tempXatom> -6 -> <POINTS> -2-2-4-2-4-4 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036---frag.20 - RDKit 3D - - 6 5 0 0 0 0 0 0 0 0999 V2000 - 5.1833 0.3283 -0.6608 X 0 0 0 0 0 1 0 0 0 0 0 0 - 4.6735 0.8662 0.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 - 3.2878 0.7932 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 - 2.5927 -0.0291 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 - 2.6744 1.4718 0.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2278 -0.1359 -0.7623 X 0 0 0 0 0 0 0 0 0 0 0 0 - 6 4 1 0 0 0 0 - 4 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 3 5 2 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -4-2 - -$$$$ -mol----------CC(C)C#COC(O)=O----------No.12036---frag.21 - RDKit 3D - - 4 3 0 0 0 0 0 0 0 0999 V2000 - 2.5927 -0.0291 -0.7902 X 0 0 0 0 0 0 0 0 0 0 0 0 - 1.2278 -0.1359 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 - 0.0258 -0.2295 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.4402 -0.3418 -0.7043 X 0 0 0 0 0 0 0 0 0 0 0 0 - 4 3 1 0 0 0 0 - 3 2 3 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -3-2 - -$$$$ -mol----------OCC1CCOC1----------No.19998---frag.23 - RDKit 3D - - 3 2 0 0 0 0 0 0 0 0999 V2000 - -2.4139 0.4049 1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 X 0 0 0 0 0 0 0 0 0 0 0 0 - -3.3556 0.4145 0.7097 X 0 0 0 0 0 1 0 0 0 0 0 0 - 1 2 1 0 0 0 0 - 1 3 1 0 0 0 0 -M END -> <tempXatom> -2 -> <POINTS> -1-1 - -$$$$ -mol----------OCC1CCOC1----------No.19998---frag.24 - RDKit 3D - - 13 13 0 0 0 0 0 0 0 0999 V2000 - 0.3386 1.4833 1.6133 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.4471 1.1384 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 - 1.8140 1.0534 0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 - -0.1863 -0.2325 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.0303 1.8894 -0.1048 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.0152 -0.1644 -0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 - -1.6667 -0.1737 -0.0112 X 0 0 0 0 0 0 0 0 0 0 0 0 - 0.6819 -0.8553 -0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 - -0.0787 -0.8096 1.3370 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.6808 -0.8113 0.1594 X 0 0 0 0 0 1 0 0 0 0 0 0 - 2.5122 0.0312 -1.4265 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.7623 -1.9566 -0.5355 X 0 0 0 0 0 1 0 0 0 0 0 0 - 0.3045 -0.6245 -1.6877 X 0 0 0 0 0 1 0 0 0 0 0 0 - 7 4 1 0 0 0 0 - 4 8 1 0 0 0 0 - 8 6 1 0 0 0 0 - 6 3 1 0 0 0 0 - 3 2 1 0 0 0 0 - 2 4 1 0 0 0 0 - 4 9 1 0 0 0 0 - 8 12 1 0 0 0 0 - 8 13 1 0 0 0 0 - 6 10 1 0 0 0 0 - 6 11 1 0 0 0 0 - 2 5 1 0 0 0 0 - 2 1 1 0 0 0 0 -M END -> <POINTS> -4-4-8-8-6-6-2-2 - -$$$$ -- GitLab