diff options
| author | Karl Berry <karl@freefriends.org> | 2021-05-23 20:34:20 +0000 |
|---|---|---|
| committer | Karl Berry <karl@freefriends.org> | 2021-05-23 20:34:20 +0000 |
| commit | 270a202f205080a02a29dcdc70cb3980354a2115 (patch) | |
| tree | 1cbea55d28e51497e7f92e978195c38930b8c5d7 /Master/texmf-dist/doc/metapost | |
| parent | ec6c34fd023b90e10ec4260b7dc211fd670957f6 (diff) | |
mcf2graph (23may21)
git-svn-id: svn://tug.org/texlive/trunk@59314 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/metapost')
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 12 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf | 1617 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf | 24 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 320335 -> 320314 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 11 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 378071 -> 377862 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 34 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 184190 -> 184054 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 11 |
11 files changed, 1514 insertions, 199 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index 3283706b9c2..73646738ae5 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,16 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2021-05-05 + Changelog of mcf2graph software package by Akira Yamaji 2021-05-23 ******************************************************************************* +[ver. 4.65 / 2021-05-23] + -add parameter for sw_output + None_Info_t : output font,'temp-info.aux' + None_Mcode_t : output font,'temp-mc.aux' + None_Report_t : output font,'temp-report.aux' + None_Info_Mcode_t : + output font,'temp-info.aux','temp-mc.aux' + -update mcf_data_base.mcf + -update MCF manual,example + [ver. 4.64 / 2021-05-05] -add parameter for sw_output Mcode : output MCF aux files diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 230ffee1ba0..36b7057f9f6 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST Author : Akira Yamaji - version : 4.64 2021-05-05 + version : 4.65 2021-05-23 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf index 726ac905782..0f34dabeea5 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.05.05 +% molecular data base file mcf_data_base.mcf by Akira Yamaji 2021.05.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line '%' comment out @@ -9,499 +9,581 @@ %============================================================================== % molecular data for mcf_example.tex No.1-155 %============================================================================== -Cat:biological;EN:Adenine;MW:135.13 +Cat:biological;EN:Adenine;MW:135.13;EXA:1 + <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH +------------------------------------------------------------------------------ -Cat:biological;EN:Guanine;MW:151.13 +Cat:biological;EN:Guanine;MW:151.13;EXA:1 + <30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2 +------------------------------------------------------------------------------ -Cat:biological;EN:Cytosine;MW:111.10 +Cat:biological;EN:Cytosine;MW:111.10;EXA:1 + <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2 +------------------------------------------------------------------------------ -Cat:biological;EN:Thymine;MW:126.11 +Cat:biological;EN:Thymine;MW:126.11;EXA:1 + <30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_ +------------------------------------------------------------------------------ -Cat:biological;EN:Uracil;MW:112.09 +Cat:biological;EN:Uracil;MW:112.09;EXA:1 + <30,?6,6=dl,{3,5}://O,{2,4}:NH +------------------------------------------------------------------------------ -Cat:biological;EN:Geraniol;MW:154.25 +%== Amino acid ================================================================ +Cat:biological;EN:Glycine;MW:75.07;EXA:- ++ +<30,NH2,!2,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Alanine;MW:89.10;EXA:- ++ +<30,NH2,!~wb,/_,!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Valine;MW:117.15;EXA:- ++ +<30,NH2,!~wb,/?!,!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Leucine;MW:131.16;EXA:- ++ +<30,NH2,!~wb,/'(!,?!),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Isoleucine;MW:131.16;EXA:- ++ +<30,NH2,!~wb,/'(/*_,!2),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Serine;MW:105.09;EXA:- ++ +<30,NH2,!~wb,/!OH,!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Threonine;MW:119.12;EXA:- ++ +<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Cysteine;MW:121.16;EXA:- ++ +<30,NH2,!~wb,/!SH,!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Methionine;MW:149.21;EXA:- ++ +<30,NH2,!~wb,/'(!2,S,!),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Phenylalanine;MW:165.19;EXA:- ++ +<30,NH2,!~wb,/!Ph,!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Tyrosine;MW:181.19;EXA:- ++ +<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Triptophan;MW:204.21;EXA:- ++ +<30,NH2,!~wb,!,COOH,@2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Proline;MW:115.13;EXA:- ++ +<18,?5,3:NH,4:*/COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Glutamine;MW:146.15;EXA:- ++ +<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!,//O,!,NH2 ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Asparagine;MW:132.12;EXA:- ++ +<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Aspartic acid;MW:133.10;EXA:- ++ +<30,NH2,!~wb,/!COOH,!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Glutamic acid;MW:147.13;EXA:- ++ +<30,NH2,!~wb,/'(!2,COOH),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Lysine;MW:146.19;EXA:- ++ +<30,NH2,!~wb,/'(!4,NH2),!,COOH ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Arginine;MW:174.21;EXA:- ++ +<30,NH2,!~wb,!,COOH,@2,\`1,!`1,!2,NH,!,//NH,!,NH2 ++------------------------------------------------------------------------------ +Cat:biological;EN:L-Hystidine;MW:155.16;EXA:- ++ +<30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH ++------------------------------------------------------------------------------ +%============================================================================== +Cat:biological;EN:Geraniol;MW:154.25;EXA:1 + <30,!8,OH,{2,6}=dr,{2,6}:/_ +------------------------------------------------------------------------------ -Cat:biological;EN:Limonene;MW:136.24 +Cat:biological;EN:Limonene;MW:136.24;EXA:1 + <30,?6,2=dl,2:/_,@5,*\,/_,!! +------------------------------------------------------------------------------ -Cat:biological;EN:l-Menthol;MW:156.27 +Cat:biological;EN:l-Menthol;MW:156.27;EXA:1 + <30,?6,2:/*?!,5:*/_,3:*/OH +------------------------------------------------------------------------------ -Cat:biological;EN:Vanillin;MW:152.15 +Cat:biological;EN:Vanillin;MW:152.15;EXA:1 + <30,Ph,2:/OH,3:/O!,5:/CHO +------------------------------------------------------------------------------ -Cat:biological;EN:Allicin;MW:162.28 +Cat:biological;EN:Allicin;MW:162.28;EXA:1 + <-30,!!,!2,SO,!,S,!2,!! +------------------------------------------------------------------------------ -Cat:biological;EN:Stearic acid;MW:284.48 +Cat:biological;EN:Stearic acid;MW:284.48;EXA:1 + <30,!17,COOH +------------------------------------------------------------------------------ -Cat:biological;EN:Linoleic acid;MW:280.45 +Cat:biological;EN:Linoleic acid;MW:280.45;EXA:1 + <30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr +------------------------------------------------------------------------------ -Cat:biological;EN:Sphingosine;MW:299.50 +Cat:biological;EN:Sphingosine;MW:299.50;EXA:1 + <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2 +------------------------------------------------------------------------------ -Cat:biological;EN:Tocopherol;MW:430.717 +Cat:biological;EN:Tocopherol;MW:430.717;EXA:1 + <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_ +------------------------------------------------------------------------------ -Cat:biological;EN:Carotene;MW:536.8726 +Cat:biological;EN:Carotene;MW:536.8726;EXA:1 + <30,?6,4=dl,3:??,5:/_, @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,{3,7,12,16}:/_,?6,-6=dl,-5:/_,-1:?? +------------------------------------------------------------------------------ -Cat:biological;EN:Adrenalin;MW:183.21 +Cat:biological;EN:Adrenalin;MW:183.21;EXA:1 + <30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,! +------------------------------------------------------------------------------ -Cat:biological;EN:Caffeine;MW:194.194 +Cat:biological;EN:Caffeine;MW:194.194;EXA:1 + <30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N! +------------------------------------------------------------------------------ -Cat:biological;EN:Nicotine;MW:162.23 +Cat:biological;EN:Nicotine;MW:162.23;EXA:1 + <30,Ph,2:N,@4,\,?5,8:N! +------------------------------------------------------------------------------ -Cat:biological;EN:Capsaicin;MW:305.418 +Cat:biological;EN:Capsaicin;MW:305.418;EXA:1 + <30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl +------------------------------------------------------------------------------ -Cat:biological;EN:Thiamine;MW:300.81 +Cat:biological;EN:Thiamine;MW:300.81;EXA:1 + <30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, @-3,\,!2,OH,8:p_^72,@(6.7,1.5),Cl,n_^15 +------------------------------------------------------------------------------ -Cat:biological;EN:Gibberellin A3;MW:346.379 +Cat:biological;EN:Gibberellin A3;MW:346.379;EXA:1 + <18,?5,3=?7,5=?6[12],@8,160`1.3,&3,13=dl,6=wf,8=wb, @5,40~zf`1,O,50,//O^180,&14~zb, 2:/COOH,7://_,13:*/OH,8:/*OH,14:*/_,{1,4}:*/H^60 +------------------------------------------------------------------------------ -Cat:biological;EN:Cholesterol;MW:386.664 +Cat:biological;EN:Cholesterol;MW:386.664;EXA:1 + <30,?6,{-4,-2}=?6,-4=?5,7=dl, 1:*/OH,{4,12}:*/_^60,10:/*H^180,{11,-1}:/*H^-60,9:*/H^60,@-1,17,/*_,!4,?! +------------------------------------------------------------------------------ -Cat:biological;EN:Riboflavin;MW:376.37 +Cat:biological;EN:Riboflavin;MW:376.37;EXA:1 + <30,Ph,3=?6,9=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}://O,{1,6}:/_, @10,\`1.2,!,*/OH,!,/*OH,!,*/OH,!2,OH +------------------------------------------------------------------------------ -Cat:biological;EN:Resveratrol;MW:228.24 +Cat:biological;EN:Resveratrol;MW:228.24;EXA:1 + <30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH +------------------------------------------------------------------------------ -Cat:biological;EN:Glutathione;MW:307.33 +Cat:biological;EN:Glutathione;MW:307.33;EXA:1 + <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH +------------------------------------------------------------------------------ -Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876 +Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1 + <30,Ph,{1,2,3,4,5,6}:/Ph +------------------------------------------------------------------------------ -Cat:synthetic;EN:Kekulene;MW:600.7 +Cat:synthetic;EN:Kekulene;MW:600.7;EXA:1 + <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6, {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl +------------------------------------------------------------------------------ -Cat:synthetic;EN:18-Crown-6;MW:264.32 +Cat:synthetic;EN:18-Crown-6;MW:264.32;EXA:1 + <-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,&1 +------------------------------------------------------------------------------ -Cat:synthetic;EN:Porphyrin;MW:310.4 +Cat:synthetic;EN:Porphyrin;MW:310.4;EXA:1 + <9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##, {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH +------------------------------------------------------------------------------ -Cat:synthetic;EN:Sulflower;MW:448.69 +Cat:synthetic;EN:Sulflower;MW:448.69;EXA:1 + <67.5,?8,{1,3,5,7}=?5,@11,30`1.15,&12,@14,30`1.15,&15, @17,30`1.15,&18,@20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl, {10,13,16,19,21,22,23,24}:S +------------------------------------------------------------------------------ -Cat:synthetic;EN:Arsphenamine x5;MW:915.2 +Cat:synthetic;EN:Arsphenamine x5;MW:915.2;EXA:1 + <18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH) +------------------------------------------------------------------------------ -Cat:synthetic;EN:Melamine;MW:126.12 +Cat:synthetic;EN:Melamine;MW:126.12;EXA:1 + <30,Ph,{2,4,6}:N,{1,3,5}:/NH2 +------------------------------------------------------------------------------ -Cat:synthetic;EN:Sudan red 1;MW:248.28 +Cat:synthetic;EN:Sudan red 1;MW:248.28;EXA:1 + <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph +------------------------------------------------------------------------------ -Cat:synthetic;EN:Basic blue 1;MW:319.86 +Cat:synthetic;EN:Basic blue 1;MW:319.86;EXA:1 + <30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:p_,@(4.2,1.5),Cl,n_^15 +------------------------------------------------------------------------------ -Cat:synthetic;EN:Disperse violet 1;MW:238.25 +Cat:synthetic;EN:Disperse violet 1;MW:238.25;EXA:1 + <30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2 +------------------------------------------------------------------------------ -Cat:synthetic;EN:Vat blue 1;MW:262.27 +Cat:synthetic;EN:Vat blue 1;MW:262.27;EXA:1 + <30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O +------------------------------------------------------------------------------ -Cat:pesticide;EN:Atrazine;MW:215.7 +Cat:pesticide;EN:Atrazine;MW:215.7;EXA:1 + <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?! +------------------------------------------------------------------------------ -Cat:pesticide;EN:BHC;MW:290.83 +Cat:pesticide;EN:BHC;MW:290.83;EXA:1 + <30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:pp-DDT;MW:354.49 +Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:1 + <30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Endrin;MW:380.91 +Cat:pesticide;EN:Endrin;MW:380.91;EXA:1 + <30,?6`1.3,3=?6,6=dl,9=?3,-1:O, @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Acrinathrin;MW:541.45 +Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:1 + <-30,?3,2^-35:*/_,2^35:/*_, @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph +------------------------------------------------------------------------------ -Cat:pesticide;EN:Cafenstrole;MW:350.4 +Cat:pesticide;EN:Cafenstrole;MW:350.4;EXA:1 + <30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19 +Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:1 + <30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_ +------------------------------------------------------------------------------ -Cat:pesticide;EN:Carboxin;MW:235.301 +Cat:pesticide;EN:Carboxin;MW:235.301;EXA:1 + <30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph +------------------------------------------------------------------------------ -Cat:pesticide;EN:Clomazone;MW:239.7 +Cat:pesticide;EN:Clomazone;MW:239.7;EXA:1 + -<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O +<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2:??,-1://O +------------------------------------------------------------------------------ -Cat:pesticide;EN:Halfenprox;MW:477.4 +Cat:pesticide;EN:Halfenprox;MW:477.4;EXA:1 + <30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph +------------------------------------------------------------------------------ -Cat:pesticide;EN:Paraquat;MW:257.16 +Cat:pesticide;EN:Paraquat;MW:257.16;EXA:1 + Ph,@4,\,Ph,{1,10}:N!,1:p_^-90,10:p_^90,@(5,1),Cl,n_^15,@(-0.5,1),Cl,n_^15 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Picolinafen;MW:376.331 +Cat:pesticide;EN:Picolinafen;MW:376.331;EXA:1 + <30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F +------------------------------------------------------------------------------ -Cat:pesticide;EN:Quinoxyfen;MW:308.13 +Cat:pesticide;EN:Quinoxyfen;MW:308.13;EXA:1 + <30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F +------------------------------------------------------------------------------ -Cat:pesticide;EN:Quitozene;MW:295.3 +Cat:pesticide;EN:Quitozene;MW:295.3;EXA:1 + <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Bitertanol;MW:337.4 +Cat:pesticide;EN:Bitertanol;MW:337.4;EXA:1 + <30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N +------------------------------------------------------------------------------ -Cat:pesticide;EN:Bifenox;MW:342.14 +Cat:pesticide;EN:Bifenox;MW:342.14;EXA:1 + <30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Simeconazole;MW:293.417 +Cat:pesticide;EN:Simeconazole;MW:293.417;EXA:1 + <36,?5,{1,3,5}:N,{1,4}=dl,@3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F +------------------------------------------------------------------------------ -Cat:pesticide;EN:Fenamidone;MW:311.403 +Cat:pesticide;EN:Fenamidone;MW:311.403;EXA:1 + <18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph +------------------------------------------------------------------------------ -Cat:pesticide;EN:Fenpyroximate;MW:421.49 +Cat:pesticide;EN:Fenpyroximate;MW:421.49;EXA:1 + <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/Me,@3,\^-15,O,!,Ph, @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Chlorsulron;MW:380.648 +Cat:pesticide;EN:Chlorsulron;MW:380.648;EXA:1 + <30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Enrofloxacin;MW:359.401 +Cat:pesticide;EN:Enrofloxacin;MW:359.401;EXA:1 + <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/! +------------------------------------------------------------------------------ -Cat:pesticide;EN:Fenitrothion;MW:277.23 +Cat:pesticide;EN:Fenitrothion;MW:277.23;EXA:1 + <-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Fipronil;MW:437.2 +Cat:pesticide;EN:Fipronil;MW:437.2;EXA:1 + <30,Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, @-2,\,S,//O,!,CF3 +------------------------------------------------------------------------------ -Cat:pesticide;EN:Flumequine;MW:261.225 +Cat:pesticide;EN:Flumequine;MW:261.225;EXA:1 + <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_ +------------------------------------------------------------------------------ -Cat:pesticide;EN:Imazalil;MW:297.2 +Cat:pesticide;EN:Imazalil;MW:297.2;EXA:1 + <-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Imidacloprid;MW:255.662 +Cat:pesticide;EN:Imidacloprid;MW:255.662;EXA:1 + <30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2) +------------------------------------------------------------------------------ -Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348 +Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:1 + <30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_ +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Nalidixic acid;MW:232.239 +Cat:antibacterial;EN:Nalidixic acid;MW:232.239;EXA:1 + <30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2 +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oryzalin;MW:346.4 +Cat:antibacterial;EN:Oryzalin;MW:346.4;EXA:1 + <30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3 +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxadiazon;MW:345.2 +Cat:antibacterial;EN:Oxadiazon;MW:345.2;EXA:1 + <30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxadixyl;MW:278.3 +Cat:antibacterial;EN:Oxadixyl;MW:278.3;EXA:1 + <30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxyfluorfen;MW:361.701 +Cat:antibacterial;EN:Oxyfluorfen;MW:361.701;EXA:1 + <30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2 +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfadimidine;MW:278.33 +Cat:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:1 + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_ +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfamerazine;MW:264.303 +Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:1 + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_ +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfadoxine;MW:310.328 +Cat:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:1 + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276 +Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:1 + <30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_ +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Thiamethoxam;MW:291.71 +Cat:antibacterial;EN:Thiamethoxam;MW:291.71;EXA:1 + <30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Thiamphenicol;MW:355 +Cat:antibacterial;EN:Thiamphenicol;MW:355;EXA:1 + <30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Pyridaphenthion;MW:340.334 +Cat:pesticide;EN:Pyridaphenthion;MW:340.334;EXA:1 + <30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph +------------------------------------------------------------------------------ -Cat:pesticide;EN:Permethrin;MW:391.288 +Cat:pesticide;EN:Permethrin;MW:391.288;EXA:1 + <-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl),@3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph +------------------------------------------------------------------------------ -Cat:pesticide;EN:Isoprothiolane;MW:290.392 +Cat:pesticide;EN:Isoprothiolane;MW:290.392;EXA:1 + <-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?! +------------------------------------------------------------------------------ -Cat:pesticide;EN:Oxine-Copper;MW:351.852 +Cat:pesticide;EN:Oxine-Copper;MW:351.852;EXA:1 + Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||,@4,&12~vf,@23,&12~vf +------------------------------------------------------------------------------ -Cat:pesticide;EN:Tetraconazole;MW:372.145 +Cat:pesticide;EN:Tetraconazole;MW:372.145;EXA:1 + <-6,?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Endosulfan;MW:406.904 +Cat:pesticide;EN:Endosulfan;MW:406.904;EXA:1 + <26,?7,7=?6[13],@11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4://O, {8,9,10,11,12^-210,12^-150}:/Cl +------------------------------------------------------------------------------ -Cat:pesticide;EN:Uniconazole-P;MW:291.779 +Cat:pesticide;EN:Uniconazole-P;MW:291.779;EXA:1 + <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxadiargyl;MW:341.19 +Cat:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:1 + <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Oxaziclomefone;MW:376.277 +Cat:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:1 + <30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Trimetoprim;MW:290.323 +Cat:antibacterial;EN:Trimetoprim;MW:290.323;EXA:1 + <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Ciprofloxacin;MW:331.347 +Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:1 + <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Danofloxacin;MW:357.385 +Cat:antibacterial;EN:Danofloxacin;MW:357.385;EXA:1 + <30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_ +------------------------------------------------------------------------------ -Cat:pesticide;EN:Marbofloxacin;MW:362.361 +Cat:pesticide;EN:Marbofloxacin;MW:362.361;EXA:1 + <30,Ph,3=?6,9=dl,(2,7)=?6[4],6:/F,7:N,11:O,9:/COOH,10://O,13:N!, @1,\,|,?6,1:N,4:N! +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Ofloxacin;MW:361.373 +Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:1 + <30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,11:O,6:/F,9:/COOH,10://O,13:/_, @1,\,|,?6,{1,4}:N,4:/_ +------------------------------------------------------------------------------ -Cat:antibacterial;EN:Ormetoprim;MW:274.324 +Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:1 + <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O! +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Amoxicillin;MW:365.4042 +Cat:antibiotics;EN:Amoxicillin;MW:365.4042;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,*/NH2,!,Ph,-3:/OH +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Ampicillin;MW:349.405 +Cat:antibiotics;EN:Ampicillin;MW:349.405;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,/*NH2,!,Ph +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Benzyl-Penicillin;MW:334.4 +Cat:antibiotics;EN:Benzyl-Penicillin;MW:334.4;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,!,Ph +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Mecillinam;MW:325.4264 +Cat:antibiotics;EN:Mecillinam;MW:325.4264;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,N,!!,!,?7,-7:N +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Nafcillin;MW:414.4748 +Cat:antibiotics;EN:Nafcillin;MW:414.4748;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,Ph,-2=Ph,-9:/O!2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Oxacillin;MW:401.4363 +Cat:antibiotics;EN:Oxacillin;MW:401.4363;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,\^-24,Ph +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Cloxacillin;MW:435.8813 +Cat:antibiotics;EN:Cloxacillin;MW:435.8813;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_,@-1,\^-24,Ph,-5:/Cl +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Dicloxacillin;MW:470.3264 +Cat:antibiotics;EN:Dicloxacillin;MW:470.3264;EXA:1 + <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,<-24,?5,{-2,-5}=dl,-2:N,-3:O,-4:/_, @-1,\^-24,Ph,{-1,-5}:/Cl +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Cefalexin;MW:347.3889 +Cat:antibiotics;EN:Cefalexin;MW:347.3889;EXA:1 + <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH,6:/_, @4,*\^15,NH,!,//O,!,*/NH2,!,Ph +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Cefalonium;MW:458.5107 +Cat:antibiotics;EN:Cefalonium;MW:458.5107;EXA:1 + <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, @6,\,!,|,Ph,1:N,1:p_^180,@4,\,//O,!,NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Cefazorin;MW:454.51 +Cat:antibiotics;EN:Cefazorin;MW:454.51;EXA:1 + <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH, @4,*\^15,NH,!,//O,!2,?5,{-2,-4}=dl,{-1,-2,-3,-5}:N, @6,\,!,S,!,?5,{-3,-5}=dl,-1:S,-2:/_,{-3,-4}:N +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Cefquinome;MW:528.6 +Cat:antibiotics;EN:Cefquinome;MW:528.6;EXA:1 + <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,@5,\*,//O,!,O,n_^40, @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, @6,\,!,Ph,-2=?6,-10:N,-10:p_^180 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Ceftiofur;MW:523.5626 +Cat:antibiotics;EN:Ceftiofur;MW:523.5626;EXA:1 + <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH, @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, @6,\,!,S,!,//O,!,?5,{-1,-3}=dl,-4:O +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Cefuroxime;MW:424.3852 +Cat:antibiotics;EN:Cefuroxime;MW:424.3852;EXA:1 + <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1://O^15,5:/*COOH, @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-1,-3}=dl,-4:O,@6,\,!,O,!,//O,!,NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Apramycin;MW:539.58 +Cat:antibiotics;EN:Apramycin;MW:539.58;EXA:1 + <30,?6,-4=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O, {7,13,-2}:*/OH,{14,-1}:/*OH,{15,17}:*/NH2,{6,-3}:/*NH2,8:*/NH!>vt, -4:*/!OH,3:/*H^-60`.75,4:*/H^60`.75 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Gentamycin;MW:477.596 +Cat:antibiotics;EN:Gentamycin;MW:477.596;EXA:1 + <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\*,O,0~zb,?6,-5:O,{2,4}:*/NH2,20:/*NH2,6:*/OH, 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:/'(*/_,!NH!) +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Kanamycin;MW:484.499 +Cat:antibiotics;EN:Kanamycin;MW:484.499;EXA:1 + <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O, {2,4,12}:*/NH2,{6,19}:*/OH,{11,13,18,20}:/*OH,10:*/!OH,17:*/!NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574 +Cat:antibiotics;EN:DihydroStreptmycin;MW:583.574;EXA:1 + <54,?5,3:O,4:/*_,5:/!OH^-48,5:/*OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, {10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Fradiomycin;MW:614.644 +Cat:antibiotics;EN:Fradiomycin;MW:614.644;EXA:1 + <30,?6,3:O,2:/*!NH2,1:*/OH,6:/*OH,5:*/NH2, @4,*\,O,!~wb,?6,{-3,-5^15}:/*NH2,-2:*/OH^-15, @-1,\*,O,-72~wb,?5,-4:O,-1:/*OH>vt,-3:*/!OH>vt, @-2,\*^-24,O,-60~zb,?6,-5:O,-1:/*NH2,-2:*/OH,-3:/*OH,-4:/*!NH2>60 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Streptmycin;MW:581.574 +Cat:antibiotics;EN:Streptmycin;MW:581.574;EXA:1 + <54,?5,3:O,4:/*_,5:/OH^35,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, @5,\^-48,!!,O,{10,15}:*/OH,{11,16,18}:/*OH,9:/*!OH,12:*/NH!, @17,*\^-18,NH,!,//NH,!,NH2,@19,*\,NH,!,//NH,!,NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Neospiramycin;MW:698.9 +Cat:antibiotics;EN:Neospiramycin;MW:698.9;EXA:1 + <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, {12,14}=dl,2:O,1:/*_,5:/*OH,3://O,10:/*_,6:/*O!>vt, @-6,\*,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_, @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_,-3:/*OH,@8,\*,!,!!,O +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Emamectine;MW:886.133 +Cat:antibiotics;EN:Emamectine;MW:886.133;EXA:1 + <24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60, @5,#1.04,6,//O,-60,O,60~wb,60,-60,60~wf,60,-60,60,60,60,-60,60,##,&7, @@ -510,7 +592,7 @@ Cat:antibiotics;EN:Emamectine;MW:886.133 17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!, @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O! +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Spinosad;MW:731.968 +Cat:antibiotics;EN:Spinosad;MW:731.968;EXA:1 + <30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##, 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl, @@ -518,7 +600,7 @@ Cat:antibiotics;EN:Spinosad;MW:731.968 @-2,\~zf,O,66,?6`.8,-1:O,-2:/_,{-3,-4,-5}:/O!,8~wf:/Me,5^-65~wf:/H, @9,\~zf,O,!,|,?6`.8,2:O,3:/_,-3:/N?! +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Spiramycin;MW:843.1 +Cat:antibiotics;EN:Spiramycin;MW:843.1;EXA:1 + <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, {12,14}=dl,2:O,{1,10^-30}:/*_,5:/*OH,3://O,6:/*O!>vt, @@ -527,7 +609,7 @@ Cat:antibiotics;EN:Spiramycin;MW:843.1 @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, @8,\*,!,!!,O +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Natamycin;MW:665.733 +Cat:antibiotics;EN:Natamycin;MW:665.733;EXA:1 + <-90,#1,60,60,-60,60,-60,60,-60,60,-60,60,60,60,O,-60, 60,60,-60,60,-60,60,-60,60,60,-60,&1,(12,13)=?6[4],##, @@ -535,7 +617,7 @@ Cat:antibiotics;EN:Natamycin;MW:665.733 18=?3,-1=wb,-2=wf,-1:O,22://O,24:*/_,{14^60,16}:*/OH, @10,*\,O,90,?6`.8,-3:*/OH,-5:/*OH,-4:/*NH2,-1:O,-2:/*_ +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Tylocin;MW:916.10 +Cat:antibiotics;EN:Tylocin;MW:916.10;EXA:1 + <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, {12,14}=dl,2:O,1:/*!,5:/*OH,3://O,10:/*_,6:/*_,-6://O,-3:/_, @@ -544,7 +626,7 @@ Cat:antibiotics;EN:Tylocin;MW:916.10 @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, @8,\*,!,!!,O +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Tilmicosin;MW:869.133 +Cat:antibiotics;EN:Tilmicosin;MW:869.133;EXA:1 + <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_, @@ -552,191 +634,191 @@ Cat:antibiotics;EN:Tilmicosin;MW:869.133 @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_ +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Chlortetracyclin;MW:478.88 +Cat:antibiotics;EN:Chlortetracyclin;MW:478.88;EXA:1 + <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,2:/Cl, {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Oxytetracyclin;MW:460.434 +Cat:antibiotics;EN:Oxytetracyclin;MW:460.434;EXA:1 + <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35,11:*/OH, {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Tetracyclin;MW:444.435 +Cat:antibiotics;EN:Tetracyclin;MW:444.435;EXA:1 + <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_^-35, {5,7~zf^35,13~wf^60,14,16}:/OH,15:*/N?!,17:/CONH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Doxycyclin;MW:444.43 +Cat:antibiotics;EN:Doxycyclin;MW:444.43;EXA:1 + <30,Ph,{-4,-3,-3}=?6,{16,19}=dl,{10,18}://O,7:*/_, {5,13~wf^60,11~wf,14,16}:/OH,15:*/N?!,@17,\,//O,!,NH2 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Tiamulin;MW:493.74 +Cat:antibiotics;EN:Tiamulin;MW:493.74;EXA:1 + <-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60, @1,\^15,O,!,//O,!2,S,60,60,-60,N!2,60,-60 +------------------------------------------------------------------------------ -Cat:antibiotics;EN:Rifampicin;MW:822.94 +Cat:antibiotics;EN:Rifampicin;MW:822.94;EXA:1 + <30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,|,-8=?6,{2,4}=dl,{1,4}:/OH, #1,@-2,\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60, */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60, - 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&($8), + 60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&$8, -4:/*O!,@-6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N! +------------------------------------------------------------------------------ -Cat:biological;EN:Trenbolone;MW:270.37 +Cat:biological;EN:Trenbolone;MW:270.37;EXA:1 + <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60 +------------------------------------------------------------------------------ -Cat:biological;EN:Luciferin;MW:280.33 +Cat:biological;EN:Luciferin;MW:280.33;EXA:1 + <30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH +------------------------------------------------------------------------------ -Cat:biological;EN:Chlorophyll a;MW:893.509 +Cat:biological;EN:Chlorophyll a;MW:893.509;EXA:1 + <-36,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,@6,22,70,&8,##, {4,6,8,10,14,16,18,21,23,27}=dl,@4,\`1.48~vf,Mg,&17~vb,@11,&27,@27,&23, {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O, @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_ +------------------------------------------------------------------------------ -Cat:biological;EN:Quercetin;MW:302.24 +Cat:biological;EN:Quercetin;MW:302.24;EXA:1 + <30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH +------------------------------------------------------------------------------ -Cat:biological;EN:Limonin;MW:470.518 +Cat:biological;EN:Limonin;MW:470.518;EXA:1 + <30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,{13,15,17,20}:O, {3,12,21}://O,{4~wf^60,8~zf^60}:/_,18:??,{1^60,5^180,16^60}:/*H, @14,\*,|,?5,{1,4}=dl,3:O +------------------------------------------------------------------------------ -Cat:biological;EN:Cromolyn;MW:468.37 +Cat:biological;EN:Cromolyn;MW:468.37;EXA:1 + <30,Ph,|,-1=?6,3=dl,1:O,4://O,2:/COOH, @$2,\,O,!2,/OH,!2,O,60,Ph,|,-5=?6,3=dl,4:O,1://O,3:/COOH +------------------------------------------------------------------------------ -Cat:biological;EN:Emetine;MW:480.649 +Cat:biological;EN:Emetine;MW:480.649;EXA:1 + <30,Ph,{-4,-4}=?6,8:N,{1,6}:/O!,-2:/*!,{7^-60,12^-60}:/*H, @-3,\,!~zb,<-60,|,?6,5=dl,2:NH,-6^-60:*/H,|,-2=?6,{2,4}=dl,{-2,-3}:/O! +------------------------------------------------------------------------------ -Cat:biological;EN:Acronycine;MW:321.376 +Cat:biological;EN:Acronycine;MW:321.376;EXA:1 + <30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:?? +------------------------------------------------------------------------------ -Cat:biological;EN:Piperine;MW:285.343 +Cat:biological;EN:Piperine;MW:285.343;EXA:1 + <30,Ph,|,-1=?5,{1,3}:O,@$4,\,!!,!,!!,!,//O,!,|,?6,1:N +------------------------------------------------------------------------------ -Cat:biological;EN:Febrifugine;MW:301.346 +Cat:biological;EN:Febrifugine;MW:301.346;EXA:1 + <30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH +------------------------------------------------------------------------------ -Cat:biological;EN:Mitomycine C;MW:334.332 +Cat:biological;EN:Mitomycine C;MW:334.332;EXA:1 + <30,?6,{3,6}=dl,{2,5}://O,1:/_,-4=?5,-3:N, 6:/NH2,,-3=?5,-2=?3,-1=wb,-2=wf,-1:NH,8:/*O!^35,@$9,\,!,O,60,//O,!,NH2 +------------------------------------------------------------------------------ -Cat:biological;EN:Podophyllotoxin;MW:414.41 +Cat:biological;EN:Podophyllotoxin;MW:414.41;EXA:1 + <0,?5,{2,5}:O,-3=Ph2,-3=?6,-3=?5,-2:O,-1=wb,-3://O, @10,\*,Ph,{-2,-3,-4}:/O!,13:/*OH,{11~wf^-60,12~zf^60}:/H +------------------------------------------------------------------------------ -Cat:biological;EN:Warfarin;MW:308.333 +Cat:biological;EN:Warfarin;MW:308.333;EXA:1 + <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,! +------------------------------------------------------------------------------ -Cat:biological;EN:Genistein;MW:270.24 +Cat:biological;EN:Genistein;MW:270.24;EXA:1 + <30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH +------------------------------------------------------------------------------ -Cat:biological;EN:Baicalein;MW:270.24 +Cat:biological;EN:Baicalein;MW:270.24;EXA:1 + <30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph +------------------------------------------------------------------------------ -Cat:biological;EN:Reserpine;MW:608.688 +Cat:biological;EN:Reserpine;MW:608.688;EXA:1 + <54,Ph,-4=?5,-2=?6,-4=?6,-3=?6,9=dl,11:N,7:NH,10:*/H^-60,{15^-60,16^60}:/*H, @20,*\,O,!,//O,!,Ph,{-2,-3,-4}:/O!,{1,19~zf>rl}:/O!,18:*/COO!>lr +------------------------------------------------------------------------------ -Cat:biological;EN:Rotenone;MW:394.423 +Cat:biological;EN:Rotenone;MW:394.423;EXA:1 + <-60,?5,{-3,-2,-3,-4}=?6,{7,9,-2,-4}=dl,{3,17}=dr, {2,13,16}:O,10://O,{11^-60,12^60}:*/H,{-2,-3}:/O!,@1,*\,/_,!! +------------------------------------------------------------------------------ -Cat:biological;EN:Pyrethrin I;MW:328.452 +Cat:biological;EN:Pyrethrin I;MW:328.452;EXA:1 + <30,?3,{3^35~wf,3^-35~zf}:/_,@1,*\,!!,?!, @2,\*,//O,!,O,-36~zb,|,?5,-2=dl,-1:/_,-3://O,@-2,\,!4,{-1,-3}=dl +------------------------------------------------------------------------------ -Cat:biological;EN:Oseltamivir;MW:312.40 +Cat:biological;EN:Oseltamivir;MW:312.40;EXA:1 + <30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2 +------------------------------------------------------------------------------ -Cat:biological;EN:Paclitaxel;MW:853.918 +Cat:biological;EN:Paclitaxel;MW:853.918;EXA:1 + ?6,5=dl,@3,#1,36,45,45,45,45,##,&5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O, 4:??,6:/_,{3^-60,15}:*/OH,8:/*H^-60,9:*/_^60,10://O, @1,\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph, @7,\*,O,-45,//O,60,Ph,11:*/OCO!>rl,12:/*OCO!^-15>lr +------------------------------------------------------------------------------ -Cat:biological;EN:Mevastatin;MW:390.52 +Cat:biological;EN:Mevastatin;MW:390.52;EXA:1 + <30,?6,2=dl,4:*/H^60,-4=?6,-4=dl,9:*/_, @10,*\,!,60~wb,?6,6:O,-2://O,-4:/*OH,@5,\*,O,60,//O,!,*/_,!2 +------------------------------------------------------------------------------ -Cat:biological;EN:Sesamine;MW:354.35 +Cat:biological;EN:Sesamine;MW:354.35;EXA:1 + <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12 +------------------------------------------------------------------------------ -Cat:biological;EN:Morphine;MW:285.343 +Cat:biological;EN:Morphine;MW:285.343;EXA:1 + <30,Ph,2=?6,-4=?6,(1,12)=?5[2],-1:O,-1=zb, @7,60~wf`0.75,70~si_`1.3,45,N!,&9~wb,15=dl,6:/OH,8^180:*/H,12:/*OH +------------------------------------------------------------------------------ -Cat:biological;EN:Quinine;MW:324.424 +Cat:biological;EN:Quinine;MW:324.424;EXA:1 + <30,Ph,3=Ph,7:N,6:/O!, @10,\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!!,@2,165~zf,60,&5~zb +------------------------------------------------------------------------------ -Cat:biological;EN:Atoropin;MW:289.375 +Cat:biological;EN:Atoropin;MW:289.375;EXA:1 + <30,O,!,//O,!,!,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv +------------------------------------------------------------------------------ -Cat:biological;EN:Colchicine;MW:399.443 +Cat:biological;EN:Colchicine;MW:399.443;EXA:1 + <30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO! +------------------------------------------------------------------------------ -Cat:biological;EN:Lycorine;MW:287.315 +Cat:biological;EN:Lycorine;MW:287.315;EXA:1 + <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],13=dl,8:N,{15,17}:O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH +------------------------------------------------------------------------------ -Cat:biological;EN:Ibotenic acid;MW:158.113 +Cat:biological;EN:Ibotenic acid;MW:158.113;EXA:1 + <18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH +------------------------------------------------------------------------------ -Cat:biological;EN:illudin S;MW:264.3 +Cat:biological;EN:illudin S;MW:264.3;EXA:1 + <30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35 +------------------------------------------------------------------------------ -Cat:biological;EN:Muscarine;MW:174.26 +Cat:biological;EN:Muscarine;MW:174.26;EXA:1 + <18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,p_^180,! +------------------------------------------------------------------------------ -Cat:biological;EN:Psilocybin;MW:284.248 +Cat:biological;EN:Psilocybin;MW:284.248;EXA:1 + <30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH,@7,\,!,-60,N?! +------------------------------------------------------------------------------ -Cat:biological;EN:Tetrodotoxine;MW:319.27 +Cat:biological;EN:Tetrodotoxine;MW:319.27;EXA:1 + #1,<60,-90,60,-30`1.15,150,60,&1,@3,-135,60,-30`1.15,150,&4, @10,\,O,60`1.33,60,&($3)~si_,@8,-15~si_,O,&12,##, @9,45,-60,OH,1^120://NH,{5~zf^-15,7,9^-75,12,13~zf}:/OH,{2,6^180}:NH +------------------------------------------------------------------------------ -Cat:biological;EN:Aflatoxin B1;MW:312.27 +Cat:biological;EN:Aflatoxin B1;MW:312.27;EXA:1 + <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, 2:/O!,{8,11}://O,{15^-54,16^54}:*/H @@ -744,7 +826,1220 @@ Cat:biological;EN:Aflatoxin B1;MW:312.27 %============================================================================== % other molecular data %============================================================================== -Cat:antibiotics;EN:Vancomycin;MW:1449.25 +Cat:pesticide;EN:BHC;MW:290.83;EXA:- ++ +<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:pp-DDT;MW:354.49;EXA:- ++ +<30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:op-DDT;MW:354.49;EXA:- ++ +<30,Ph,4:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:pp-DDD;MW:320;EXA:- ++ +<30,Ph,6:/Cl,@3,\,/CCl2,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:pp-DDE;MW:318;EXA:- ++ +<30,Ph,6:/Cl,@3,\,/CCl2~dm,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:EPN;MW:323.303;EXA:- ++ +<30,!2,O,!,P,//S,/Ph^170,!,O,!,|,Ph,4:/NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:XMC;MW:179.2;EXA:- ++ +<30,Ph,{1,5}:/_,@3,\,O,!,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Acrinathrin;MW:541.45;EXA:- ++ +<-30,?3,2^-35:*/_,2^35:/*_, + @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Azaconazole;MW:300.139;EXA:- ++ +<30,Ph,{4,6}:/Cl,@3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N,@7,?5,{-1,-4}:O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Acetochlor;MW:269.769;EXA:- ++ +<30,Ph,2:/_,4:/!,@3,\,N,!2,O,!2,@7,\,//O,!2,Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Atrazine;MW:215.7;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,@3,\,NH,!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Anilofos;MW:367.9;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,N,/?!,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Alachrol;MW:269.8;EXA:- ++ +<-30,!,O,!2,N,!,//O,!2,Cl,@4,\,|,Ph,{2,6}:/! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Isazofos;MW:313.74;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?5,{2,5}=dl,{2,4,5}:N,4:/Cl,3:/?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Isoprcarb;MW:193.246;EXA:- ++ +<30,Ph,2:/?!,@3,\,O,!,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Isoprothiolane;MW:290.4;EXA:- ++ +<30,!,/_,!,O,!,//O,!,!,//O,!,O,!,?!,@5,\\,|,?5,{2,5}:S ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Iprobenfos;MW:288.34;EXA:- ++ +<30,!,/_,!,O,!,P,//O,/O!?!^170,!,S,!2,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Uninnazole-P;MW:291.779;EXA:- ++ +<30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Esprocarb;MW:265.4;EXA:- ++ +<30,Ph,@3,\,!,S,!,//O,!,N,/!,!,/?!,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Ethalfluralin;MW:333.3;EXA:- ++ +<30,Ph,{1,3}:/NO2,5:/CF3,@2,\`1.1,/!,N,!2,/_,!~dr ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Ethion;MW:384.46;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,P,//S,/O!2^200>lr,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Edifenphos;MW:310.37;EXA:- ++ +<30,Ph,@3,\,O,!,P,//S,/O!2>rl^160,!,S,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Ethofenprox;MW:376.5;EXA:- ++ +<30,Ph,@5,\,O,!,Ph,@10,\,O,!3,??,!,Ph,-3:/O!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Ethoprophos;MW:242.33;EXA:- ++ +<-30,!3,S,!,P,//O,/S!3^160>rl,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Ethrimfos;MW:292.29;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/!,3:/O!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Endrin;MW:380.91;EXA:- ++ +<30,?6`1.3,3=?6,6=dl,9=?3,-1:O, + @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Oxadiazon;MW:345.2;EXA:- ++ +<30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Oxadixyl;MW:278.3;EXA:- ++ +<30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:- ++ +<30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cadusafos;MW:270.386;EXA:- ++ +<-30,!2,/_,!,S,!,P,//O,/O!2^160>rl,!,S,!,/_,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cafenstrole;MW:350.4;EXA:- ++ +<30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:- ++ +<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, + @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Carboxin;MW:235.301;EXA:- ++ +<30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Quinalphos;MW:298.30;EXA:- ++ +<30,!,O,!2,P,//S,/O!2^160>rl,!,O,!,|,Ph,3=Ph,{2,5}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Quinoxyfen;MW:308.13;EXA:- ++ +<30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Quitozene;MW:295.3;EXA:- ++ +<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:- ++ +<30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Clomazone;MW:239.7;EXA:- ++ +<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2:??,-1://O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorpyrifos;MW:350.59;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorpyrifos-methyl;MW:322.53;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160>rl,!,O,!,|,Ph,6:N,{2,4,5}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorfenapyr;MW:407.62;EXA:- ++ +<18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/CF3,@2,\,!,O,!2,@3,\,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorfenson;MW:303.153;EXA:- ++ +<30,Ph,@3,\,O,!,SOO,!,Ph,{6,12}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorfenvinphos;MW:359.58;EXA:- ++ +<30,!2,O,!,P,//O,/O!2^160>rl,!,O,!,!~dr,!,Cl,@6,\`1,|,Ph,{2,4}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorpropham;MW:213.7;EXA:- ++ +<30,Ph,6:/Cl,@4,\,NH,!,//O,!,O,!,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorbenside;MW:269.183;EXA:- ++ +<30,Ph,@3,\,S,!2,Ph,{6,12}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:- ++ +<30,Ph,@3,\,/OH^-35,/COO!2^30>lr,!,Ph,{6,11}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyanazine;MW:240.7;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,@3,\,NH,!,??,!,CN ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyanophos;MW:243.22;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,4:/CN ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diethofencarb;MW:267.3;EXA:- ++ +<30,Ph,@4,\,NH,!,//O,!,O,!,/_,!,{1,6}:/O!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dichlofenthion;MW:315.2;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:- ++ +<30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,@-4,\,O,!,/_,!,COO! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyhalothrin;MW:449.86;EXA:- ++ +<-30,?3,2^-35:*/_,2^35:/*_,@1,\,!~dl,/CF3,!,Cl, + @3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:- ++ +<30,Ph,1:/CN,4:/F,@3,\,O,!,|,Ph,@-3,\,O,!,/_,!,//O,!,O,!4 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diphenamid;MW:239.3;EXA:- ++ +<30,Ph,@3,\,!,Ph,@-5,\,//O,!,N,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyfluthrin;MW:434.3;EXA:- ++ +<-30,?3,{2^-35~wf,2^35~zf}:/_, + @1,\,!~dl,/Cl,!,Cl,@3,\,//O,!,O,!,/CN,!,Ph,-3:/F,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diflufenican;MW:394.29;EXA:- ++ +<30,Ph,{1,5}:/F,@4,\,NH,!,//O,!,Ph,6:N,@-5,\,O,!,Ph,-3:/CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyproconazole;MW:291.8;EXA:- ++ +<30,?3,@2,\,/_,!,/OH^30,-90,!,|,<-18,?5,{2,4}=dl,{1,3,5}:N,@$5,-30,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cypermethrin;MW:416.3;EXA:- ++ +<-30,?3,{2^-35~wf,2^35~zf}:/_, + @1,\,!~dl,/Cl,!,Cl,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Simazine;MW:201.7;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimethametryn;MW:255.4;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/S!,1:/NH!2,@3,\,NH,!,/_,!,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:- ++ +<-30,!,O,!,P,//O,/O!^160,!,O,!,!~dl,!,Cl,@5,\`1,Ph,{-5,-3}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimethenamid;MW:275.8;EXA:- ++ +<-6,?5,{3,5}=dl,2:S,{3,5}:/_,@4,\,N,!,//O,!2,Cl,@6,\,/_,!2,O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimethoate;MW:229.25;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Simetryn;MW:213.3;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimepiperate;MW:263.4;EXA:- ++ +<30,Ph,@3,\,??,!,S,!,//O,!,|,?6,1:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diazinon;MW:304.35;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{4,6}:N,5:/_,3:/?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thiobencarb;MW:257.776;EXA:- ++ +<30,Ph,1:/Cl,@4,\,!,S,!,//O,!,N,/!,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thiometon;MW:246.34;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!3,S,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thifluzamide;MW:528.08;EXA:- ++ +<-12,?5,{3,5}=dl,2:S,5:N,3:/CF3,1:/_, + @4,\,//O,!,NH,!,<6,|,Ph,{2,6}:/Br,@-3,\,O,!,CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dieldrin;MW:380.895;EXA:- ++ +<30,?6`1.2,3=?6,6=dl,9=?3,-1:O,@2,148~wf`1.4,&5~wb, + @7,145~zf`1.3,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Aldrin;MW:364.908;EXA:- ++ +<30,?6`1.3,3=?6,{6,9}=dl, + @2,210~wf`1.5,&5~wb,@7,210~zf`1.5,&10~zb,{1,2,5,6,11^-210,11^-150}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tecnazene;MW:260.879;EXA:- ++ +<30,Ph,{1,3,4,6}:/Cl,5:/NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:- ++ +<-30,!,O,!,P,//O,/O!^160,!,O,!,!~dr,!,Cl,@5,\`1,|,Ph,{2,4,5}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tetraconazole;MW:372.14;EXA:- ++ +<-6,?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tetradifon;MW:356.038;EXA:- ++ +<30,Ph,@3,\,SOO,!,Ph,{6,10,11,13}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thenylchlor;MW:323.835;EXA:- ++ +<6,?5,{2,5}=dl,4:S,2:/O!,@3,\,!,N,!,//O,!2,Cl,@7,-15,Ph,{-1,-5}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tebuconazole;MW:307.8;EXA:- ++ +<36,?5,{1,4}=dl,{1,3,5}:N,@3,\^30,!4,Ph,-3:/Cl,7^-30:/??!,7^30:/OH ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tebufenpyrad;MW:333.86;EXA:- ++ +<6,?5,{3,5}=dl,{1,2}:N,4:/Cl,5:/!,2:/_,@3,\,//O,!,NH,!2,Ph,-3:/??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tefluthrin;MW:418.736 ++ +<-30,?3,{2^-35~wf,2^35~zf}:/_,@1,\,!~dl,/CF3,!,Cl, + @3,\,//O,!,O,!2,|,Ph,{2,3,5,6}:/F,4:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Terbutryn;MW:241.4;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/S!,1:/NH!2,@3,\,NH,!,??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Terbufos;MW:288.42;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,S,!,??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Triadimefon;MW:293.8;EXA:- ++ +<30,Ph,6:/Cl,@3,\,O,!2,//O,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Triazophos;MW:313.31;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,<-12,|,?5,{2,5}=dl,{2,4,5}:N,4:/Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Triallate;MW:304.7;EXA:- ++ +<-30,!,/_,!,N,/?!,!,//O,!,S,!2,/Cl,!~dr,/Cl,!,Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tribufos;MW:314.50;EXA:- ++ +<30,!4,S,!,P,//O,/'(S,!4)^160>rl,!,S,!4 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tolclofos-methyl;MW:301.13;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,6}:/Cl,4:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Trifluralin;MW:335.3;EXA:- ++ +<30,Ph,{1,3}:/NO2,5:/CF3,@2,\,N,/!2,!3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Napropamide;MW:271.4;EXA:- ++ +<-30,Ph,4=Ph,@10,\,O,!,??,!,//O,!,N,/!,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:- ++ +<30,Ph,5:/NO2,@1,\,//O,!,O,!?!,@3,\,//O,!,O,!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Norflurazon;MW:303.7;EXA:- ++ +<30,?6,{1,5}=dl,{4,5}:N,1:/NH!,3://O,2:/Cl,@4,\,Ph,-4:/CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Paclobutrazole;MW:293.795;EXA:- ++ +<30,Ph,6:/Cl,@3,\,!2,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Halfenprox;MW:477.4;EXA:- ++ +<30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Picolinafen;MW:376.331;EXA:- ++ +<30,Ph,5:/CF3,@3,\,O,!,|,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bitertanol;MW:337.4;EXA:- ++ +<30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bifenox;MW:342.14;EXA:- ++ +<30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bifenthrin;MW:422.88;EXA:- ++ +<-30,?3,2^-35:*/_,2^35:/*_, + @1,\,!~dl,/Cl,!,CF3,@3,\,//O,!,O,!,-60,Ph,-1:/_,-2:/Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Piperophos;MW:353.48;EXA:- ++ +<-30,!3,O,!,P,//S,/O!?!^160>rl,!,S,!2,//O,!,|,?6,1:N,6:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyraclofos;MW:360.80;EXA:- ++ +<30,!2,O,!,P,//O,/S!3^160>rl,!,O,!, + <-12,|,?5,{1,4}=dl,{3,4}:N,@-3,-12,|,Ph,4:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyrazophos;MW:373.37;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!, + |,?5,3=?6,{2,5}=dl,{7,9}=dl,{4,5,6}:N,7:/_,-2:/COO!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:- ++ +<30,Ph,6:/Cl,4:/F,@3,\,|,?5,{1,4}=dl,{2,3}:N,-3:/_,5:/Cl, + @-2,\,O,!,/F,!,F,@$1,\,O,!2,//O,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyridaben;MW:364.9;EXA:- ++ +<30,?6,{2,4}=dl,{5,6}:N,6:/??!,1://O,2:/Cl,@-4,\,S,!,!,|,Ph,4:/??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyridaphenthion;MW:340.34;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyributicarb;MW:330.4;EXA:- ++ +<30,Ph,5:/??!,@3,\,//O,!,S,!,N,/_,!,|,Ph,2:N,3:/O! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:- ++ +<30,Ph,@5,\,O,!,Ph,@-3,\,O,!2,/_,!,O,-60,|,Ph,2:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:- ++ +<30,Ph,2:/OCO!,@5,\,/_,!~dr,N,!,O,!,@3,\,O,!,|,Ph,{2,6}:N,{3,5}:/O! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:- ++ +<30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/_,@-4,\,N,/!,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyrimethanil;MW:199.257;EXA:- ++ +<30,Ph,@3,\,NH,!,|,Ph,{2,6}:N,{3,5}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyroquilon;MW:173.2;EXA:- ++ +<30,Ph,3=?6,10:N,9://O,(11,4)=?5[3] ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Vinclozolin;MW:286.108;EXA:- ++ +<36,?5,3:N,5:O,{2,4}://O,1:/_^54,@1,\^-30,!~dr,@3,\,|,Ph,{3,5}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fipronil;MW:437.2;EXA:- ++ +<30,Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, + @-2,\,S,//O,!,CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenomiphos;MW:303.36;EXA:- ++ +<30,!2,O,!,P,//O,/NH!?!^160,!,O,!,|,Ph,3:/_,4:/S! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenarimol;MW:331.2;EXA:- ++ +<30,Ph,@3,\,!,Ph,{4,11}:/Cl,7:/OH^30,@7,\^-30,|,Ph,{3,5}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenitrothion;MW:277.23;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenothiocarb;MW:253.4;EXA:- ++ +<30,Ph,@3,\,O,!5,S,!,//O,!,N,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fensulfothion;MW:308.35;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,@-3,\,S,//O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenthion;MW:278.33;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,4:/S! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Phenthoate;MW:320.358;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!,/Ph,!,//O,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenvalerate;MW:419.91;EXA:- ++ +<30,Ph,6:/Cl,@3,\,/?!,!,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenpropathrin;MW:349.4;EXA:- ++ +<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_, + @3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenpropimorph;MW:303.49;EXA:- ++ +<30,?6,3:N,6:O,{1,5}:*/_,@3,\,!,/_,!2,|,Ph,4:/??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Phthalide;MW:271.9;EXA:- ++ +<30,Ph,3=?5,8:O,9://O,{1,2,5,6}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Butachlor;MW:311.85;EXA:- ++ +<30,!4,O,!2,N,!,//O,!2,Cl,@7,\,Ph,{-1,-5}:/! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Butamifos;MW:332.36;EXA:- ++ +<-30,!2,/_,!,NH,!,P,//S,/O!2^170>rl,!,O,!,|,Ph,2:/NO2,5:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bupirimate;MW:316.42;EXA:- ++ +<30,Ph,{4,6}:N,1:/_,@3,\,O,!,SOO,!,N,/_,!,2:/!3,@5,\,NH,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Buprofezin;MW:305.4;EXA:- ++ +<-30,?6,{1,5}:N,1:/Ph,3:S,6://O,5:/?!,@4,\~dm,N,!,??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Flamprop-methyl;MW:335.8;EXA:- ++ +<30,Ph,1:/Cl,6:/F,@3,\,N,!,/_,!,//O,!,O,!,@7,\,//O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:- ++ +<30,Ph,{4,6}:N,1:/CF3,5:/O!?!,@3,\,O,!2,Ph,@-1,\,|,!~dr,!,O,!,1:/COO! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fluquinconazole;MW:376.2;EXA:- ++ +<30,Ph,3=?6,8=dl,{7,9}:N,6:/F,10://O,@8,\, + |,?5,{2,4}=dl,{1,3,5}:N,@$9,\,|,Ph,{4,6}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fludioxonil;MW:248.2;EXA:- ++ +<30,Ph,5=?5,{7,9}:O,{8^-40,8^40}:/F,@4,\,|,?5,{2,5}=dl,-2:NH,-4:/CN ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Flucythrinate;MW:451.5;EXA:- ++ +<30,Ph,@6,\,O,!,/F,!,F,@3,\,/?!,!,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Flutolanil;MW:323.3;EXA:- ++ +<30,Ph,2:/CF3,@3,\,//O,!,NH,!,Ph,-1:/O!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fluvalinate;MW:502.92;EXA:- ++ +<30,Ph,5:/Cl,1:/CF3,@4,\,NH,!,/?!,!,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Flumioxazin;MW:354.337;EXA:- ++ +<30,Ph,6:/F,3=?6,-1:O,-4:N,-3://O,@-4,\,!,!~tm, + @1,\,|,?5,3=?6,3=dr,1:N,{2,5}://O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pretilachlor;MW:311.85;EXA:- ++ +<30,Ph,{2,4}:/!,@3,\,N,!3,O,!3,@$7,\,//O,!2,Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Procymidone;MW:284.136;EXA:- ++ +?6,1:N,@3,&5,{2,6}://O,{3,5}:/_,@1,\,|,Ph,{3,5}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Prothyophos;MW:329.18;EXA:- ++ +<-30,!3,O,!,P,//S,/O!2^160>rl,!,O,!,|,Ph,{2,4}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propachlor;MW:211.689;EXA:- ++ +<30,Ph,@3,\,N,/?!,!,//O,!2,Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propazine;MW:229.7;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/Cl,{1,3}:/NH!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propanil;MW:218.077;EXA:- ++ +<30,Ph,{1,6}:/Cl,@3,\,NH,!,//O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propaphos;MW:304.343;EXA:- ++ +<-30,!3,O,!,P,//O,/O!3^160>rl,!,O,!,|,Ph,4:/S! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propyzamide;MW:256.1;EXA:- ++ +<30,Ph,{1,5}:/Cl,@3,\,//O,!,NH,!,??,!,!~tm ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propiconazole;MW:342.22;EXA:- ++ +<30,Ph,{4,6}:/Cl,@3,\,!2,|,?5,{2,4}=dl,{1,2,4}:N,@$7,?5,{-1,-4}:O,-3:/!2^-15 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Prohydrojasmon;MW:254.37;EXA:- ++ +<18,?5,2://O,3:*\^-12,!4,@4,\*,!,//O,!,O,!3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Profenofos;MW:373.6;EXA:- ++ +<30,!2,O,!,P,//S,/O!3^160>rl,!,O,!,|,Ph,2:/Cl,4:/Br ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bromacil;MW:261.119;EXA:- ++ +<30,?6,6=dl,3:N,1:/Br,{2,4}://O,5:NH,6:/_,@3,\,/_,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Prometryn;MW:241.4;EXA:- ++ +<30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bromobutide;MW:312.2;EXA:- ++ +<30,Ph,@3,\,??,!,NH,!,//O,!,/Br,!,??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bromophos;MW:365.99;EXA:- ++ +<-30,!,O,!, P,//S,/O!^160,!,O,!,|,Ph,{3,6}:/Cl,4:/Br ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bromopropylate;MW:428.12;EXA:- ++ +<30,Ph,@3,\,!,Ph,{6,11}:/Br,7:/OH^-45,@7,30,//O,!,O,-60,?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Hexaconazole;MW:314.2;EXA:- ++ +<36,?5,{1,4}=dl,{1,3,5}:N,@3,\^30,!5,-4^30:/OH,@-5,\^-30,|,Ph,{4,6}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Hexazinone;MW:252.31;EXA:- ++ +<30,?6,3=dl,{2,4,6}:N,2:/_,{1,5}://O,6:/?6,3:/N?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Benalaxyl;MW:325.4;EXA:- ++ +<30,Ph,@3,\,!,//O,!,N,!,/_,!,//O,!,O,!,@-5,\,|,Ph,{2,6}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Benoxacor;MW:260.1;EXA:- ++ +<90,Ph,3=?6,7:N,10:O,8:/_,@7,\,//O,!,/Cl,!,Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Heptachlor;MW:373.35;EXA:- ++ +<30,?6`1.3,3=?5,{6,8}=dl,@2,210~wf`1.5,&5~wb,{1,2,5,6,9,10^-210,10^-150}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Permethrin;MW:391.30;EXA:- ++ +<-30,?3,{2^-35}:*/_,{2^35}:/*_,@1,\,!~dl,/Cl,!,Cl, + @3,\,//O,!,O,!2,Ph,@-4,\,O,-60,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Penconazole;MW:284.184;EXA:- ++ +<30,Ph,{4,6}:/Cl,@3,\,/!2,!2,|,<30,?5,{2,4}=dl,{1,2,4}:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pendimethalin;MW:281.3;EXA:- ++ +<30,Ph,{3,5}:/NO2,{1,2}:/_,@4,\,NH,!,/!,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Benfluralin;MW:335.3;EXA:- ++ +<30,Ph,{1,3}:/NO2,5:/CF3,@2,\,N,/!,!4 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Benfuresate;MW:256.3;EXA:- ++ +<30,Ph,3=?5,7:O,9:??,@6,\,O,!,SOO,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Phosalone;MW:367.80;EXA:- ++ +<30,!2,O,!,P,//S,/O!2^160>rl,!,S,!2,|,?5,4=Ph,4=dr,1:N,2://O,3:O,8:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Phosmet;MW:317.32;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}://O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Phorate;MW:260.4;EXA:- ++ +<30,!2,O,!,P,//S,!,S,!2,S,!2,4^160>rl:/O!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Malathion;MW:330.35;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!2,//O,!,O,!2,@5,\`1,!,//O,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Myclobutanil;MW:288.8;EXA:- ++ +<36,?5,{1,4}=dl,{1,3,5}:N,@3,\^30,!5,7:/CN^30,@7,\^-30,|,Ph,4:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Methidathion;MW:302.32;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?5,4=dl,{1,5}:N,3:S,2://O,4:/O! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Methoxychlor;MW:345.644;EXA:- ++ +<30,Ph,@3,\,!,Ph,{6,11}:/O!,7:/CCl3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Metolachlor;MW:283.8;EXA:- ++ +<30,Ph,5:/!,3:/_,@4,\,N,!,//O,!2,Cl,@7,\,/_,!2,O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Mevinphos;MW:224.15;EXA:- ++ +<-30,!,O,!,P,//O,/O!^160,!,O,!,/_,!~dr,!,//O,!,O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Mefenacet;MW:298.4;EXA:- ++ +<12,Ph,3=?5,9=dl,9:N,7:S,@8,\,O,!2,//O,!,N,/_,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Mefenpyr-diethyl;MW:373.23;EXA:- ++ +<18,?5,5=dl,{4,5}:N,3^65:/_,{1^12,3^-12}:/COO!2,@4,\^-24,|,Ph,{4,6}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Mepronil;MW:269.3;EXA:- ++ +<30,Ph,2:/_,@3,\,//O,!,NH,!,|,Ph,5:/O!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Resmethrin;MW:338.4;EXA:- ++ +<-30,?3,{2^-35~wf,2^35~zf}:/_,@1,\,!!,/_,!,@3,\,//O,!,O,!2, + |,?5,{3,5}=dl,2:O,@3,\,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Lenacil;MW:234.3;EXA:- ++ +<30,?6,3=?5,3=dl,6:N,2:NH,{1,5}://O,6:/?6 ++------------------------------------------------------------------------------ +%****************************************************************************** +Cat:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1,2,3}:N,6://O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Azoxystorbin;MW:403.394;EXA:- ++ +<30,Ph,2:/CN,@3,\,O,!,Ph,{-1,-3}:N,@-4,\,O,!,Ph,@-5,\,//!O!,!,//O,!,O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Aramite;MW:334.859;EXA:- ++ +<30,Ph,6:/??!,@3,\,O,!2,/_,!,O,!,S,//O,!,O,!3,Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Aldicarb;MW:190.3;EXA:- ++ +<-30,!,S,!,??,!,!~dr,N,!,O,!,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Aldoxycarb;MW:222.3;EXA:- ++ +<30,!,//O,!,NH,!,O,!,N,!~dr,!,??,!,SOO,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Isoxaflutole;MW:359.319;EXA:- ++ +<30,Ph,6:/CF3,@4,\,SOO,!,@3,\`1,//O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Iprovalicarb;MW:320.4;EXA:- ++ +<30,Ph,6:/_,@3,\,!,/_,!,NH,!,//O,!,??,!,NH,!,//O,!,O,!?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Imazalil;MW:297.2;EXA:- ++ +<-30,!2,O,!2,!~dr,@1,\^60,|,?5,{2,4}=dl,{1,3}:N,@$2,\,|,Ph,{4,6}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Imidacloprid;MW:255.662;EXA:- ++ +<30,Ph,1:N,6:/Cl,@3,\,!,|,?5,1:N,3:NH,@2,\\,N,!,NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Indanofan;MW:340.80;EXA:- ++ +<30,Ph,3=?5,{7,9}://O,{8^55>lr}:/!,@8,-30,!2,|,Ph,5:/Cl,||,@11,?3,-2:O ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Indoxacarb;MW:527.837;EXA:- ++ +<-6,Ph,3=?5,9=?6,15=dl,10:O,{12,13}:N,1:/Cl,8`1^-54:/COO!, + @12,\,//O,!,N,/COO!,!,Ph,@-3,\,O,!,CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Oxaziclomefone;MW:376.277;EXA:- ++ +<30,?6,6=dl,2:O,4:N,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Oxamyl;MW:219.3;EXA:- ++ +<-30,!,N,/_,!,//O,!,/S!,!~dr,N,!,O,!,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Oryzalin;MW:346.4;EXA:- ++ +<30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Carbaryl;MW:201.22;EXA:- ++ +<30,Ph,5=Ph,@4,\,//O,!,O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Carpropamid;MW:334.665;EXA:- ++ +<-30,?3,1:/_,2^-35:*/Cl,2^35:/*Cl,3^70:/!,@3,\,//O,!,NH,!,/_,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cumyluron;MW:302.802;EXA:- ++ +<30,Ph,@4,\,??,!,NH,!,//O,!,NH,!2,|,Ph,6:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cloquintocet-methyl;MW:335.83;EXA:- ++ +<90,Ph,4=Ph,2:N,10:/Cl,@7,\,O,!2,//O,!,O,!,/_,!5 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Clotianidin;MW:249.673;EXA:- ++ +<6,?5,{3,5}=dl,2:S,5:N,1:/Cl,@3,\,!,NH,!,/NH!,!!,N,!,NO2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chromafenozide;MW:394.515;EXA:- ++ +<30,?6,3=?6,5:O,{7,9,11}=dl,7:/_,@8,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Clomeprop;MW:324.2;EXA:- ++ +<30,Ph,{4,6}:/Cl,5:/_,@3,\,O,!,/_,!,//O,!,NH,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chloridazon;MW:221.6;EXA:- ++ +<30,?6,{3,4}:N,{2,6}=dl,5://O,1:/NH2,6:/Cl,4:/Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Chloroxuron;MW:290.745;EXA:- ++ +<30,Ph,6:/Cl,@3,\,O,!,Ph,@-3,\,NH,!,//O,!,N,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyazofamid;MW:324.783;EXA:- ++ +<18,?5,{2,5}=dl,{2,4}:N,1:/Cl,3:/CN,@4,\,SOO,!,N,/_,!,@5,\,Ph,-3:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diuron;MW:233.1;EXA:- ++ +<30,Ph,{1,6}:/Cl,@3,\,NH,!,//O,!,N,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyflufenamid;MW:412.36;EXA:- ++ +<30,Ph,4^20:/CF3,{1,2}:/F,@3,\,!,NH,!,//O,!2,Ph,@-10,\~dm,N,!,<-12,O,!2,?3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Diflubenzuron;MW:310.7;EXA:- ++ +<30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Cyprodinil;MW:225.295;EXA:- ++ +<30,Ph,{2,4}:N,5:/_,1:/?3,@3,\,NH,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Simeconazole;MW:293.417;EXA:- ++ +<36,?5,{1,3,5}:N,{1,4}=dl,@3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimethirimol;MW:209.29;EXA:- ++ +<30,?6,{3,5}=dl,1://O,2:NH,3:/N?!,4:N,5:/_,6:/??! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Dimethomorph;MW:387.86;EXA:- ++ +<30,?6,1:O,4:N,@4,\,//O,!,!!`1,!,|,Ph,{4,5}:/O!,||,@9,\,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Silafluofen;MW:408.588;EXA:- ++ +<30,Ph,@5,\,O,!,Ph,-1:/F,@10,\,!3,Si,??,!,Ph,-3:/O!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Spinosad;MW:731.968;EXA:- ++ +<30,#1,<-120,60,60,-60,60,60,60,-60,60,60,60,-60,&1,##, + 5=?5,-1=dl,{-2^60,-3^-35}:/*H,-3=?6,-4=dl,{-1^35}:*/H,{-2^-60}:/*H,-2=?5, + 2:O,{3^15,7^-28}://O, 1:/!, + @-2,\~zf,O,66,?6,-1:O,-2:/_,{-3,-4,-5}:/O!,8:*/_,5^-65:*/H, + @9,\*,O,!,|,?6,2:O,3:/_,-3:/N?! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Di-allate;MW:270.212;EXA:- ++ +<-30,!,/_,!,N,!,//O,!,S,!2,!!,!,Cl,3:/?!,7:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Daimuron;MW:268.4;EXA:- ++ +<30,Ph,@4,\,??,!,NH,!,//O,!,NH,!,Ph,-3:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thiacloprid;MW:252.72;EXA:- ++ +<30,Ph,1:N,6:/Cl,@3,\,!,<-12,|,?5,1:N,3:S,@-4,\\,N,!,CN ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thiabendazole;MW:201.247;EXA:- ++ +<30,Ph,3=?5,8=dl,9:NH,7:N,@8,\,|,?5,{1,4}=dl,3:S,5:N ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Thiamethoxam;MW:291.71;EXA:- ++ +<30,?6,2:O,{4,6}:N,6:/_,@5,\\,N,!,NO2,@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tebuthiuron;MW:228.3;EXA:- ++ +<18,?5,{3,5}=dl,{4,5}:N,2:S,1:/??!,@3,\,N,/_,!,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tebufenozide;MW:352.5;EXA:- ++ +<30,Ph,6:/!,@3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Teflubenzuron;MW:381.1;EXA:- ++ +<30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!,|,Ph,{3,5}:/Cl,{4,6}:/F ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Tridemorph;MW:297.5;EXA:- ++ +<30,?6,3:N,6:O,{1,5}:/_,3:/!12 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Triflumuron;MW:358.701;EXA:- ++ +<30,Ph,4:/Cl,@3,\,//O,!,NH,!,//O,!,NH,!,|,Ph,@5,\,O,!,CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Naproanilide;MW:291.35;EXA:- ++ +<30,Ph,4=Ph,@8,\,O,!,/_,!,//O,!,NH,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Novaluron;MW:492.706;EXA:- ++ +<30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!, + Ph,-4:/Cl,@-3,\,O,!,/F^-35,/F^35,!,/F,!,O,!,CF3 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:- ++ +<30,Ph,@3,\,!,O,!,<12,|,?5,{2,5}=dl,{4,5}:N, +@4,\^12,Ph,-3:/Cl,||,@2,\,N,/O!,!,COO! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pirimicarb;MW:238.291;EXA:- ++ +<30,Ph,{1,5}:N,{2,3}:/_,6:/N?!,@4,\,O,!,//O,!,N,/_,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenoxycarb;MW:301.35;EXA:- ++ +<30,Ph,@5,\,O,!,Ph,@-3,\,O,!3,NH,!,//O,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenobucarb;MW:207.3;EXA:- ++ +<30,Ph,@5,\,/_,!2,@4,\,O,!,//O,!,NH! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Ferimzone;MW:254.337;EXA:- ++ +<30,Ph,4:/_,@3,\,/_,!~dr,N,!,NH,!,|,Ph,{2,6}:N,{3,5}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenamidone;MW:311.403;EXA:- ++ +<18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fenpyroximate;MW:421.49;EXA:- ++ +<-6,?5,{3,5}=db,{1,2}:N,{2,5}:/_,@3,-15,O,!,Ph, + @4,\,!~dr,N,!,O,!2,|,Ph,@4,\,//O,-60,O,!4 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Phenmedipham;MW:300.32;EXA:- ++ +<30,Ph,5:/_,@3,\,NH,!,//O,!,O,!,Ph,@-4,\,NH,!,//O,!,O! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Butafenacil;MW:474.817;EXA:- ++ +<30,?6,6=dl,{3,5}:N,{2,4}://O,5:/_,6:/CF3, + @3,\,Ph,-3:/Cl,@-2,\,//O,!,O,!,??,!,//O,!,O,!2,!~dr ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Flufenacet;MW:363.331;EXA:- ++ +<6,?5,{2,5}=dl,{1,2}:N,4:S,5:/CF3,@3,\,O,!,-60,//O,!,N,/?!,!,|,Ph,4:/F ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Flufenoxuron;MW:488.77;EXA:- ++ +<30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!,Ph,-1:/F,@-3,\,O,!,|,Ph,4:/CF3,6:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Fluridone;MW:329.3;EXA:- ++ +<30,?6,{3,6}=dl,2:N,2:/_,5://O,@4,\,Ph,-4:/CF3,6:/Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Propaquizafop;MW:443.884;EXA:- ++ +<90,Ph,3=?6,{8,10}=dl,{7,10}:N,1:/Cl, + @8,\,O,!,|,Ph,@4,\,O,|,!2,//O,!,O,!,-60,!,O,-60,N,-60~dr,!,{2,9}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Hexaflumuron;MW:461.14;EXA:- ++ +<30,Ph,{2,4}:/F,@3,\,//O,!,NH,!,//O,!,NH,!, + |,Ph,{3,5}:/Cl,@4,\,O,!,/F^-35,/F^35,!,/F,!,F ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Hexathiazox;MW:352.877;EXA:- ++ +<30,?6,@3,\,NH,!,//O,!,<-24,|,?5,1:N,3:S,2://O,5:/_,@4,\,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pencycuron;MW:328.84;EXA:- ++ +<30,Ph,6:/Cl,@3,\,!,N,/?5,!,//O,!,NH,!,Ph ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Bendiocarb;MW:223.228;EXA:- ++ +<30,Ph,5=?5,{7,9}:O,8:??,@4,\,O,!,//O,!,NH! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Pentoxazone;MW:353.774;EXA:- ++ +<66,?5,5://?!,1:O,3:N,{2,4}://O,@3,\,|,Ph,4:/Cl,6:/F,@3,\,O,!,?5 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Boscalid;MW:343.21;EXA:- ++ +<30,Ph,5:N,4:/Cl,@3,\,//O,!,NH,!,Ph,@-1,\,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:- ++ +Ph,3=?5,9=dl,7:S,9:N,@8,\,N,/_,!,//O,!,NH,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:- ++ +<30,Ph,2:/_,1:/O!,@3,\,//O,!,NH,!,N,/??!,!,//O,!,|,Ph,{3,5}:/_ ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Monolinuron;MW:214.6;EXA:- ++ +<30,Ph,6:/Cl,@3,\,NH,!,//O,!,N,/_,!,O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Lactofen;MW:461.78;EXA:- ++ +<30,Ph,4:/Cl,6:/CF3,@3,\,O,!,Ph,-3:/NO2,@-4,\,//O,!,O,!,/_,!,//O,!,O,!2 ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Linuron;MW:249.1;EXA:- ++ +<30,Ph,{1,6}:/Cl,@3,\,NH,!,//O,!,N,/_,!,O,! ++------------------------------------------------------------------------------ +Cat:pesticide;EN:Lufenuron;MW:511.15;EXA:- ++ +<30,Ph,{2,4}:/F, + @3,\,//O,!,NH,!,//O,!,NH,!,Ph,{-1,-4}:/Cl,@-3,\,O,!,/F^35,/F^-35,!,/F,!,CF3 ++------------------------------------------------------------------------------ +%****************************************************************************** +Cat:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,//O,! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{1,3}=dl,2:N,5:S ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Chlopidol;MW:192.039;EXA:- ++ +<30,Ph,{1,3}:/_,2:N,{4,6}:/Cl,5:/OH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfadiadine;MW:250.276;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Levamisole;MW:204.29;EXA:- ++ +?5,3=?5,6=dl,2:S,{4,6}:N,@7,\,Ph ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:5-(Propylsulphonyl)-1-H-Benzimidazole-2-Amine;MW:0;EXA:- ++ +<30,Ph,3=?6,8=dl,7:N,9:NH,6:/S!3,8:/NH2 ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfapyrizine;MW:249.288;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,6:N ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:- ++ +<30,Ph,3=?6,-3=dl,(2,7)=?6[4],6:/F,{7,13}:N,11:O,9:/COOH,10://O,13:/_, + @1,\,|,?6,{1,4}:N,4:/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Trimetoprim;MW:290.323;EXA:- ++ +<30,Ph,{1,5}:N,6:/NH2,@3,\,!,|,Ph,{3,4,5}:/O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Ofloxacin;MW:361.373;EXA:- ++ +<30,Ph,3=?6,(2,7)=?6[4],7:N,11:O,9:/COOH,10://O,13:/_,@1,\,|,?6,{1,4}:N,4:/! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:- ++ +<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Enrofloxacin;MW:359.401;EXA:- ++ +<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Danofloxacin;MW:357.385;EXA:- ++ +<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O, + @1,\,|,?6,@2,-200`1.1,&5,{1,4}:N,4:*/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:- ++ +<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:- ++ +<30,Ph,-4=?6,9=dl,7:N,{2,5,6}:/F,7:/?3,9:/COOH,10://O, + @1,\,|,?6,1:N,{3,5}:*/_,4:NH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sarafloxacin;MW:385.371;EXA:- ++ +<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,?6,-6:N,-3:NH,@7,\,|,Ph,-3:/F ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Difloxacin;MW:399.398;EXA:- ++ +<30,Ph,-4=?6,9=dl,7:N,6:/F,9:/COOH,10://O,@1,\,|,?6,{1,4}:N,4:/_, + ||,@7,\,Ph,-3:/F ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,3:/O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{5,6}:N,4:/Cl ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Pirimethamin;MW:248.714;EXA:- ++ +<30,?6,{1,4}=dl,{1,5}:N,4:/!,6://NH,@3,\,Ph,-3:/Cl ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Oxibendazole;MW:249.27;EXA:- ++ +<30,Ph,-4=?5,9=dl,7:NH,9:N,1:/O!3,@8,\,NH,!,COOH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Oxolinic acid;MW:261.233;EXA:- ++ +<30,Ph,3=?6,6=?5,9=dl,7:N,{11,13}:O,10://O,7:/!,9:/COOH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfabenzamide;MW:276.31;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,//O,!,Ph ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Ethopabate;MW:237.255;EXA:- ++ +<30,Ph,1:/NHCO!,3:/O!2,4:/COO! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfadimethoxine;MW:310.33;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:- ++ +<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,3=Ph,{2,5}:N ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Nalidixic acid;MW:232.239;EXA:- ++ +<30,Ph,3=?6,9=dl,{5,10}:N,6:/_,7://O,8:/COOH,10:/! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Flubendazole;MW:313.288;EXA:- ++ +<30,Ph,-4=?5,9=dl,7:NH,9:N,@1,\,O,!,Ph,@8,\,NH,!,COO! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Flumequine;MW:261.225;EXA:- ++ +<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_ ++------------------------------------------------------------------------------ +34;Cat:antibacterial;EN:Sulfanitran;MW:335.334;EXA:- ++ +<30,Ph,@1,\,NH,!,//O,!,@4,\,SOO,!,NH,!,|,Ph,4:/NO2 ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Xylazine;MW:220.334;EXA:- ++ +<30,?6,3=dl,2:S,4:N,@3,\,NH,!,|,Ph,{2,6}:/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Tiamulin;MW:493.74;EXA:- ++ +<-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, + {3^-45,5,8}:*/_,@3,\*^30,!~dl,4:/*OH,11://O,7:*/H^60,||, + @1,\^15,O,!,//O,!2,S,60,60,-60,N,/!,60,-60 ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:alfa-Trenbolone;MW:312.403;EXA:- ++ +<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:beta-Trenbolone;MW:312.403;EXA:- ++ +<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:*/OH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Famphur;MW:325.3;EXA:- ++ +<-30,!,O,!,P,//S,/O!^160,!,O,!,Ph,@-3,\,SOO,!,N!,! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Lincomycin;MW:406.54;EXA:- ++ +<6,?5,5:N,5:*/_,2:*/!2, + @3,\*,//O,!,NH,!,!~wb,?6,-1:O,-3:/*OH,{-4,-5}:*/OH,-2:/*S!, + @8,\^-30,/_,60,OH ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Emamectine;MW:886.133;EXA:- ++ +<24,?6,6=?5,3=dl,9:O,2:*/OH,3:/_,6:/*OH^-60, + @5,#1.04,6,//O,-60,O,60,60,-60,60,60,-60,60,60,60,-60,60,##,&7, + 3=wb,{-1,-3,-7}=dl,(-11,-10)=?6[4],@-2,?6,-1=wb,-6=zf,-2=dl, + {-5,-6}:O,-3:/*_,-4:/?!, + 17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!, + @-3,\,O,60,?6`.8,-1:O,-2:*/_,-3:/*OH,-4:*/O!,-5:/*O! ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Tilmicosin;MW:869.133;EXA:- ++ +<-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, + {12,14}=dl,2:O,1:/*!,5:/*OH,{3,11}://O,{6,10}:/*_,14:/_, + @7,\*,O,0,?6`.7,-5:O,-2:/NMe!,,{-1,-3}:/OH,-4:/_, + @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_, + @16,\,-60,O,0,?6`.7,-5:O,{-1,-2}:/O!,-3:/OH,-4:/_ ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;EXA:- ++ +<18,?5,{2,5}=dl,2:N,4:S,3:/NHCO!,5:/NO2 ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Chlorsulron;MW:357.77;EXA:- ++ +<30,Ph,6:/NH2,@1,\,S,//O^35,//O^-35,!,NH2,@3,\,S,//O^35,//O^-35,!,NH2, + @4,\,/Cl,60~dl,/Cl,!,Cl ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Florfenicol;MW:358.21;EXA:- ++ +<30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!F,!,NH,!,//O,!,/Cl,!,Cl ++------------------------------------------------------------------------------ +Cat:antibacterial;EN:Thiamphenicol;MW:355;EXA:- ++ +<30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl ++------------------------------------------------------------------------------ +%****************************************************************************** +Cat:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2 + <-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60, Ph,-4:/Cl,@-3,\,O,!,Ph,@-4,\,O,!,Ph,-1^15:/Cl,@-3,\,/*OH,*/H^-60,&1, @@ -755,7 +2050,7 @@ Cat:antibiotics;EN:Vancomycin;MW:1449.25 @23,\,O,!,|,?6`.7,2:O,3^10:/!OH,{4,5}:/OH, @-1,\,O,!,|,?6`.7,6:O,{3^35,5}:/_,3^-35:/NH2,4:/OH +------------------------------------------------------------------------------ -Cat:biological;EN:Maitotoxin;MW:3425.86 +Cat:biological;EN:Maitotoxin;MW:3425.86;EXA:2 + <55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6,@-3,\,!3,?6,{-4,-3,-3,-3}=?6,@-3,\,?6,-3=?6, @-3,\,!3,60,<-30,?6,-3=?6,@-3,30,<30,?6,{-3,-3}=?6,-3=?7,{-4,-3,-3}=?6, @@ -774,7 +2069,7 @@ Cat:biological;EN:Maitotoxin;MW:3425.86 @$36,-45~zf,O,30,SOO,30,"O{Na}", @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl +------------------------------------------------------------------------------ -Cat:biological;EN:Okadaic acid;MW:805.00 +Cat:biological;EN:Okadaic acid;MW:805.00;EXA:2 + <30,?6,@4,?6,@-4,\,!3,<-12,?5,@-3,<-12,?6,-3=?6,@-3,*\,!3, ?6,@-4,?6,@6,\,!,/*Me^-40,*/OH^20,!,//O,!1,OH, diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf index b6bc26a3480..2356e3194e7 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf @@ -1,8 +1,8 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.05.05 +% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.05.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %%% it must be version 4.64 -message "* mcf_exa_soc 2021.05.05"; +input mcf2graph.mf; %%% it must be version 4.65 +message "* mcf_exa_soc 2021.05.23"; message ""; %------------------------------------------------------------------------------ fsize:=(35mm,24mm); @@ -28,20 +28,20 @@ beginfont("f:mcf_data_base","t:EN","v:Cytosine") % select EN=Cytosine if check(mc)=0: MC(scantokens(mc)) fi endfont %****************************************************************************** -beginfont("f:mcf_data_base","t:EN","v:Thymine") % select EN=Thymine +beginfont("f:mcf_data_base","t:EN","v:Thymine") % select EN=Thymine if check(mc)=0: MC(scantokens(mc)) fi endfont %****************************************************************************** -beginfont("f+:mcf_data_base","t:n","v:5") % 'f+'=keep file open - if check(mc)=0: MC(scantokens(mc)) fi % 'v:5' select No.5 +beginfont("f+:mcf_data_base","t:n","v:5") % 'f+'=keep file open + if check(mc)=0: MC(scantokens(mc)) fi % 'v:5' select No.5 endfont %****************************************************************************** -%%%%forever: % All -for i=6 upto 155: % No.6 - No.155 - beginfont("f+:mcf_data_base","v:*") % 'f+'=keep file open - if check(mc)=0: MC(scantokens(mc)) fi % 'v:*' no selection - endfont % - exitif f_EOF=1; % exit if file end +forever: +%%%%%%%% beginfont("f+:mcf_data_base","v:*") % select all + beginfont("f+:mcf_data_base","t:EXA","v:1") % 'f+'=keep file open + if f_EOF=0: if check(mc)=0: MC(scantokens(mc)) fi fi % 'v:1' select EXA=1 + endfont % + exitif f_EOF=1; % exit if file end endfor %****************************************************************************** fi diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex 3307bc7cd89..62767a62162 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex index c0874a757c4..5515b890b0e 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.05.05 +% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2021.05.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage{graphicx} diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index 3fff89f92e7..afefa48dcf0 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -1,14 +1,13 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.05.05 +% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2021.05.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -input mcf2graph.mf; %% it must be version 4.64 +input mcf2graph.mf; %% it must be version 4.65 % ** use data base file 'mcf_data_base.mcf' -message "mcf_man_soc 2021.05.05"; message ""; +message "mcf_man_soc 2021.05.23"; message ""; %------------------------------------------------------------------------ sw_mframe:=0; sw_expand:=0; %%%%ext(defaultscale:=.5; label.bot(decimal(char_num)&":"&inf_EN,(.5w,0));) -%%%%ext(defaultscale:=.5; label.bot(mc,(.5w,0));) %*********************************************************************** fsize:=(40mm,25mm); blength:=6mm; @@ -21,11 +20,11 @@ beginfont("EN:L-Alanine",":<30,NH2,!~wb,/_,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Valine",":<30,NH2,!~wb,/!?!,!,COOH") +beginfont("EN:L-Valine",":<30,NH2,!~wb,/?!,!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** -beginfont("EN:L-Leucine",":<30,NH2,!~wb,/!?!,!,COOH") +beginfont("EN:L-Leucine",":<30,NH2,!~wb,/'(!,?!),!,COOH") if check(mc)=0: MC(scantokens(mc)) fi endfont %*********************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex a952e91f000..abe6a2b494b 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index e5842f9eac4..c1c525a118f 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2021.05.05 +% Molecular Coding Format manual by Akira Yamaji 2021.05.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[pdftex]{graphicx} @@ -1611,9 +1611,11 @@ Cat:biological;EN:Linoleic acid;MW:280.45 \index{Info2}% \index{Info\_t}% \begin{verbatim} - sw_output:=Info1; % tag1:var1;tag2:var2 - sw_output:=Info2; % tag1;tag2 var1;var2 - sw_output:=Info_t; % tag1:var1;tag2:var2 / output 'temp-info.aux' + sw_output:=Info1; %% tag1:var1;tag2:var2 + sw_output:=Info2; %% tag1;tag2 var1;var2 + sw_output:=Info_t; %% tag1:var1;tag2:var2 / output 'temp-info.aux' + sw_output:=Info_Mcode_t; %% output 'temp-info.aux','temp-mc.aux' + sw_output:=None_Info_t; %% output font,'temp-mc.aux' \end{verbatim} \paragraph{(Command line)} \begin{verbatim} @@ -1737,34 +1739,42 @@ endfont %------------------------------------------------------------------------ \noindent% \newpage -\subsection{MCF aux file output(1)} +\subsection{MCF aux file output} \paragraph{(Insert option parameter setting)} \index{Mcode}% \begin{verbatim} sw_output:=Mcode; +sw_output:=Mcode_t; %% output 'temp-mc.aux' +sw_output:=Info_Mcode_t; %% output 'temp-info.aux','temp-mc.aux' +sw_output:=None_Mcode_t; %% output font,'temp-mc.aux' +sw_output:=None_Info_Mcode_t; %% output font,'temp-info.aux','temp-mc.aux' \end{verbatim} \paragraph{(Command line)} \index{Mcode\_t}% \begin{verbatim} >mpost -s ahlength=8 FILENAME (sw_output=Mcode) \end{verbatim} -\paragraph{(Output)} +\paragraph{(file name)} \begin{verbatim} +sw_output=Mcode file name = 'mcf_exa_soc-001-Adenine-mc.aux' + 'jobname -nnn-EN -mc.auc' + +sw_output=Mcode_t +file name = 'temp-mc.aux' +(result) <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH \end{verbatim} %------------------------------------------------------------------------ -\subsection{MCF aux file output(2)} -\paragraph{(Insert option parameter setting)} +\paragraph{(Lualatex example)} +%----------------------------------------------------------------------- \begin{verbatim} beginfont("f:mcf_data_base","t:EN","v:Adenine") sw_output:=Mcode_t; endfont \end{verbatim} %----------------------------------------------------------------------- -\paragraph{(Lualatex example)} -%----------------------------------------------------------------------- \begin{verbatim} %----------------------------------------------------------------------- \begin{mplibcode} @@ -1777,9 +1787,9 @@ endfont %----------------------------------------------------------------------- \end{verbatim} %----------------------------------------------------------------------- -\paragraph{(Output)} -%----------------------------------------------------------------------- \begin{verbatim} +(result) + file name = 'temp-mc.aux' <-30,#1,!12,{1,3,12}=zf,7=wf,/H^-60,60,*/OH,60, diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 92420313d82..686b14f6d7c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index 93ac0e0f1f5..17a66be1445 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -1,7 +1,7 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.05.05 +% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2021.05.23 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% ** mcf2graph.mf must be version 4.64 +% ** mcf2graph.mf must be version 4.65 % ** use mcf_data_base.mcf \documentclass{article} %------------------------------------------------------------------------------ @@ -13,6 +13,7 @@ \mplibnumbersystem{double}% \everymplib{% if unknown Ph1: input mcf2graph.mf; fi + outputformat:="eps"; tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; sw_output:=None; sw_fframe:=4; @@ -47,7 +48,7 @@ \subsection{Chlorophyll a} \noindent% \begin{verbatim} -beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a", +beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a","NO:-", ":,||,{4,11,17,23}:red,27:green") %%%% change color of atoms %%%% fsize:=(100mm,45mm); if check(mc)=0: MC(scantokens(mc)) fi @@ -59,7 +60,7 @@ endfont \end{verbatim} %------------------------------------------------------------------------------------ \begin{mplibcode} -beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a", +beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a","NO:-", ":,||,{4,11,17,23}:red,27:green") %%%% change color of atoms %%%% fsize:=(100mm,45mm); if check(mc)=0: MC(scantokens(mc)) fi @@ -69,7 +70,7 @@ beginfont("f:mcf_data_base","t:EN","v:Chlorophyll a", label.lrt("MW(D): "&inf_MW,(0,h-13mm));) endfont \end{mplibcode} -%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \subsection{Dinophysistoxin-1} \noindent% \begin{verbatim} |