%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Molecular Coding Format for mcf_example.tex by Akira Yamaji 2021.02.11 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% input mcf2graph.mf; %%% it must be version 4.57 message "* mcf_exa_soc 2021.02.11"; message ""; %------------------------------------------------------------------------- fsize:=(35mm,24mm); max_blength:=4.5mm; %------------------------------------------------------------------------- %%%%sw_aux_out:=1; %%%%sw_fframe:=1; %%%%sw_aframe:=1; %%%%sw_mframe:=1; %%%%sw_expand:=1; tag1:="F"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW"; %%%%tag5:="mi"; %%%%tag6:="w1"; %%%%tag7:="h1"; %%%% sw_rep_out:=1; %%%% sw_mol_out:=1; %%%% atomfont:="uhvb8r"; %%%% atomfont:="cmtt8"; %%%% atomfont:="cmvtt10"; %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png"; %--------------------------------------------------------------------------- %%%% ext(nA:=10mm; pickup pencircle scaled 0.1pt; %%%% draw(0,0)--(w,0)--(w,h)--(0,h)--cycle; %%%% for i=nA step nA until w: draw(i,0)--(i,h); endfor %%%% for i=nA step nA until h: draw(0,i)--(w,i); endfor ); %--------------------------------------------------------------------------- %%%%sw_calc:=1; %%%%ext(defaultfont:="uhvr8r"; defaultscale:=.3; %%%% label.lrt(decimal(char_num)&":"&inf_EN&" MW="&cal_MW %%%% if (inf_MW<>"-")and(cen_MW<40): %%%% &"("& decimal(num_MW-scantokens(inf_MW))&")" %%%% else: &"(-)" fi ,(-2bp,1.5bp));) %*************************************************************************** beginfont("EN:Adenine","MW:135.13") MC(<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH) endfont %*************************************************************************** beginfont("EN:Guanine","MW:151.13") MC(<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2) endfont %*************************************************************************** beginfont("EN:Cytosine","MW:111.10") MC(<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2) endfont %*************************************************************************** beginfont("EN:Thymine","MW:126.11") MC(<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_) endfont %*************************************************************************** beginfont("EN:Uracil","MW:112.09") MC(<30,?6,6=dl,{3,5}://O,{2,4}:NH) endfont %*************************************************************************** beginfont("EN:Geraniol","MW:154.25") MC(<30,!8,OH,{2,6}=dr,{2,6}:/_) endfont %*************************************************************************** beginfont("EN:Limonene","MW:136.24") MC(<30,?6,2=dl,2:/_,@5,*\,/_,!!) endfont %*************************************************************************** beginfont("EN:l-Menthol","MW:156.27") MC(<30,?6,2:/*?!,5:*/_,3:*/OH) endfont %*************************************************************************** beginfont("EN:Vanillin","MW:152.15") MC(<30,Ph,2:/OH,3:/O!,5:/CHO) endfont %*************************************************************************** beginfont("EN:Allicin","MW:162.28") MC(<-30,!!,!2,SO,!,S,!2,!!) endfont %*************************************************************************** beginfont("EN:Stearic acid","MW:284.48") MC(<30,!17,COOH) endfont %*************************************************************************** beginfont("EN:Linoleic acid","MW:280.45") MC(<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr) endfont %*************************************************************************** beginfont("EN:Sphingosine","MW:299.50") MC(<30,!18,OH,14=dr,-3:*/OH,-2:/*NH2) endfont %************************************************************************** beginfont("EN:Tocopherol","MW:430.717") MC(<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_) endfont %*************************************************************************** beginfont("EN:Carotene","MW:536.8726") MC(<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:??) endfont %*************************************************************************** beginfont("EN:Adrenalin","MW:183.21") MC(<30,Ph,{1,6}:/OH,@4,\,*/OH,!2,NH,!) endfont %*************************************************************************** beginfont("EN:Caffeine","MW:194.194") MC(<30,?6,3=dl,{1,5}://O,-4=?5,-3=dl,7:N,{2,6,9}:N!) endfont %*************************************************************************** beginfont("EN:Nicotine","MW:162.23"); MC(<30,Ph,2:N,@4,\,?5,8:N!) endfont; %************************************************************************** beginfont("EN:Capsaicin","MW:305.418") MC(<30,Ph,1:/OH,6:/O!,@4,\,!,NH,!,//O,!7,?!,-3=dl) endfont %*************************************************************************** beginfont("EN:Thiamine","MW:300.81") MC(<30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, @-3,\,!2,OH,8:"+"^72) MCat(.95,.75)(Cl,"-"^15) endfont %************************************************************************** beginfont("EN:Gibberellin A3","MW:346.379"); MC(<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) endfont; %************************************************************************** beginfont("EN:Cholesterol","MW:386.664") MC(<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,?!) endfont %*************************************************************************** beginfont("EN:Riboflavin","MW:376.37") MC(<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) endfont %*************************************************************************** beginfont("EN:Resveratrol","MW:228.24") MC(<30,Ph,@4,\,!!,!,Ph,{2,6,-3}:/OH) endfont %*************************************************************************** beginfont("EN:Glutathione","MW:307.33") MC(<-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH) endfont %*************************************************************************** beginfont("EN:Hexaphenylbenzene","MW:534.6876") MC(<30,Ph,{1,2,3,4,5,6}:/Ph) endfont %*************************************************************************** beginfont("EN:Kekulene","MW:600.7") MC(<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) endfont %*************************************************************************** beginfont("EN:18-Crown-6","MW:264.32") MC(<-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) endfont %*************************************************************************** beginfont("EN:Porphyrin","MW:310.4") MC(<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) endfont %*************************************************************************** beginfont("EN:Sulflower","MW:448.69") MC(<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) endfont %*************************************************************************** beginfont("EN:Arsphenamine x5","MW:915.2") MC(<18,?5,{1,2,3,4,5}:As,{1,2,3,4,5}:/'(Ph,3:/NH2,4:/OH)) endfont %*************************************************************************** beginfont("EN:Melamine","MW:126.12") MC(<30,Ph,{2,4,6}:N,{1,3,5}:/NH2) endfont %*************************************************************************** beginfont("EN:Sudan red 1","MW:248.28") MC(<30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph) endfont %*************************************************************************** beginfont("EN:Basic blue 1","MW:319.86") MC(<30,Ph,3=Ph,6=Ph,2:S,5:N,{8,13}:/N?!,2:"+") MCat(1,.7)(Cl,"-"^15) endfont %*************************************************************************** beginfont("EN:Disperse violet 1","MW:238.25") MC(<30,Ph,3=?6,-3=dr,9=Ph,{7,10}://O,{-1,-4}:/NH2) endfont %*************************************************************************** beginfont("EN:Vat blue 1","MW:262.27") MC(<30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O) endfont %*************************************************************************** beginfont("EN:Atrazine","MW:215.7") MC(<30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!) endfont %*************************************************************************** beginfont("EN:BHC","MW:290.83") MC(<30,?6`1.2,{1,3,4,6}:*/Cl,{2,5}:/*Cl) endfont %*************************************************************************** beginfont("EN:pp-DDT","MW:354.49") MC(<30,Ph,6:/Cl,@3,\,/CCl3,!,Ph,-3:/Cl) endfont %*************************************************************************** beginfont("EN:Endrin","MW:380.91") MC(<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) endfont %*************************************************************************** beginfont("EN:Acrinathrin","MW:541.45") MC(<-30,?3,2^-35:*/_,2^35:/*Me, @1,\,!~dl,!,//O,!,O,!,/CF3,!,CF3,@3,\,//O,!,O,!,/CN,!,Ph,@-4,\,O,-60,Ph) endfont %*************************************************************************** beginfont("EN:Cafenstrole","MW:350.4") MC(<30,Ph,{2,4,6}:/_,@3,\,SOO,!,|,?5,{2,5}=dl,{2,4,5}:N,@-2,\,//O,!,N,/!,!2) endfont %*************************************************************************** beginfont("EN:Carfentrazone-ethyl","MW:412.19") MC(<30,Ph,4:/F,6:/Cl,@1,\,!,/Cl,!,//O,!,O,!2, @3,\,|,?5,4=dl,{1,3,5}:N,-4://O,-3:/CF2,-2:/_) endfont %*************************************************************************** beginfont("EN:Carboxin","MW:235.301") MC(<30,?6,3=dl,2:S,5:O,4:/_,@3,\,//O,!,NH,!,Ph) endfont %*************************************************************************** beginfont("EN:Clomazone","MW:239.7") MC(<30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2^-35:/_,-2^35:/_,-1://O) endfont %*************************************************************************** beginfont("EN:Halfenprox","MW:477.4") MC(<30,Ph,@6,\,O,!,/F^35,/F^-35,!,Br,@3,\,!,??,!,O,!,!,Ph,@-2,\,O,60,Ph) endfont %*************************************************************************** beginfont("EN:Paraquat","MW:257.16") MC(Ph,@4,\,Ph,{1,10}:N!,1:"+"^-90,10:"+"^90) MCat(1,.75)(Cl,"-"^15) MCat(1,.60)(Cl,"-"^15) endfont %*************************************************************************** beginfont("EN:Picolinafen","MW:376.331") MC(<30,Ph,5:/CF3,@3,\,O,!,|,Ph,2:N,@3,\,//O,!,NH,!,|,Ph,4:/F) endfont %*********************************************************************** beginfont("EN:Quinoxyfen","MW:308.13") MC(<30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!,|,Ph,4:/F) endfont %*********************************************************************** beginfont("EN:Quitozene","MW:295.3") MC(<30,Ph,{1,2,3,4,6}:/Cl,5:/NO2) endfont %*************************************************************************** beginfont("EN:Bitertanol","MW:337.4") MC(<30,Ph,@3,\,Ph,@-3,\,O,!2,/OH,!,??!,@14,\,|,?5,{2,4}=dl,{1,2,4}:N) endfont %*************************************************************************** beginfont("EN:Bifenox","MW:342.14") MC(<30,Ph,{4,6}:/Cl,@3,\,O,!,Ph,-4:/COO!,-3:/NO2) endfont %*************************************************************************** beginfont("EN:Simeconazole","MW:293.417") MC(<36,?5,{1,3,5}:N,{1,4}=dl, @3,30,!,/OH^30,!2,Si,/_,/_^60,!,@7,-30,Ph,-3:/F) endfont %*************************************************************************** beginfont("EN:Fenamidone","MW:311.403") MC(<18,?5,4=dl,{3,5}:N,2://O,@3,\,NH,!,Ph,4:/S!,1^52:*/_,1^-48~zf:/Ph) endfont %*************************************************************************** beginfont("EN:Fenpyroximate","MW:421.49") MC(<-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) endfont %*************************************************************************** beginfont("EN:Chlorsulron","MW:380.648") MC(<30,Ph,6:/NH2,@1,\,SOO,!,NH2,@3,\,SOO,!,NH2,@4,\,/Cl,60~dl,/Cl,!,Cl) endfont %*************************************************************************** beginfont("EN:Enrofloxacin","MW:359.401") MC(<30,Ph,-4=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:N,4:/!) endfont %*************************************************************************** beginfont("EN:Fenitrothion","MW:277.23") MC(<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,3:/_,2:/NO2) endfont %*************************************************************************** beginfont("EN:Fipronil","MW:437.2") MC(<30, Ph,{2,4}:/Cl,6:/CF3,@3,\,|,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2, @-2,\,S,//O,!,CF3) endfont %*************************************************************************** beginfont("EN:Flumequine","MW:261.225") MC(<30,Ph,3=?6,(2,7)=?6[4],9=dl,7:N,6:/F,9:/COOH,10://O,13:/_) endfont %*************************************************************************** beginfont("EN:Imazalil","MW:297.2") MC(<-30,!2,O,!2,!~dr,@1,60,|,?5,{2,4}=dl,{1,3}:N,@.$2,\,|,Ph,{4,6}:/Cl) endfont %*************************************************************************** beginfont("EN:Imidacloprid","MW:255.662") MC(<30,Ph,1:N,6:/Cl,@3,\,!,|,?5,2=dl,1:N,3:N,2:/'(NH,!,NO2)) endfont %*********************************************************************** beginfont("EN:Kresoxim-Methyl","MW:313.348") MC(<30,Ph,@3,\,/COO!,!~dr,N,!,O,!,@4,\,!,O,!,Ph,-1:/_) endfont %*************************************************************************** beginfont("EN:Nalidixic acid","MW:232.239") MC(<30,Ph,3=?6,9=dl,5:N,6:/_,7://O,8:/COOH,10:N!2) endfont %*********************************************************************** beginfont("EN:Oryzalin","MW:346.4") MC(<30,Ph,{1,3}:/NO2,@5,\,SOO,!,NH2,@2,\,/!2,N,!3) endfont %*********************************************************************** beginfont("EN:Oxadiazon","MW:345.2") MC(<30,Ph,{4,6}:/Cl,1:/O!?!,@3,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!) endfont %*********************************************************************** beginfont("EN:Oxadixyl","MW:278.3") MC(<30,Ph,{2,4}:/_,@3,\,N,!1,//O,!2,O,!,@7,\,|,?5,1:N,2:O,5://O) endfont %*********************************************************************** beginfont("EN:Oxyfluorfen","MW:361.701") MC(<30,Ph,6:/CF3,4:/Cl,@3,\,O,!,Ph,-3:/NO2,@-4,\,O,!2) endfont %*************************************************************************** beginfont("EN:Sulfadimidine","MW:278.33") MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,4}:N,{3,5}:/_) endfont %*************************************************************************** beginfont("EN:Sulfamerazine","MW:264.303") MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{2,6}:N,3:/_) endfont %*************************************************************************** beginfont("EN:Sulfadoxine","MW:310.328") MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,Ph,{4,6}:N,{2,3}:/O!) endfont %*************************************************************************** beginfont("EN:Sulfamethoxazole","MW:253.276") MC(<30,Ph,1:/NH2,@4,\,SOO,!,NH,!,|,?5,{2,5}=dl,4:O,5:N,3:/_) endfont %*************************************************************************** beginfont("EN:Thiamethoxam","MW:291.71") MC(<30,?6,4:N,2:O,6:N!,5://'(N,!,NO2),@4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl) endfont %*************************************************************************** beginfont("EN:Thiamphenicol","MW:355") MC(<30,Ph,@1,\,SOO,!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,//O,!,/Cl,!,Cl) endfont %*************************************************************************** beginfont("EN:Pyridaphenthion","MW:340.334") MC(<30,!2,O,!,P,//S,/O!2^160>rl,!,O,!,|,?6,{1,5}=dl,{2,3}:N,4://O,3:/Ph) endfont %*************************************************************************** beginfont("EN:Permethrin","MW:391.288") MC(<-30,?3,2^-35:*/_,2^35:/*_,1:/'(!!,/Cl,!,Cl), @3,\,//O,!,O,!2,|,Ph,@3,\,O,-60,Ph) endfont %*************************************************************************** beginfont("EN:Isoprothiolane","MW:290.392") MC(<-30,!,?!,O,!,//O,!,//'(?5,2:S,5:S),!,//O,!,O,!,?!) endfont %*************************************************************************** beginfont("EN:Oxine-Copper","MW:351.852") MC(Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,|,Ph,5=Ph,10:N,||, @4,&12~vf,@23,&12~vf) endfont %*************************************************************************** beginfont("EN:Tetraconazole","MW:372.145") MC(<-6, ?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O,!,/F^35,/F^-35,!,CF2,@7,\,|,Ph,{4,6}:/Cl) endfont %*************************************************************************** beginfont("EN:Endosulfan","MW:406.904"); MC(<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) endfont; %*********************************************************************** beginfont("EN:Uniconazole-P","MW:291.779") MC(<30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N) endfont %*************************************************************************** beginfont("EN:Oxadiargyl","MW:341.19") MC(<30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!) endfont %*************************************************************************** beginfont("EN:Oxaziclomefone","MW:376.277") MC(<30,?6,6=dl,4:N,2:O,1:/_,5://O,6:/Ph,@4,\,??,!,|,Ph,{3,5}:/Cl) endfont %*************************************************************************** beginfont("EN:Trimetoprim","MW:290.323") MC(<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!) endfont %*************************************************************************** beginfont("EN:Ciprofloxacin","MW:331.347") MC(<30,Ph,-4=?6,9=dl,7:N, 6:/F,7:/?3,9:/COOH,10://O,@1,\,|,?6,1:N,4:NH) endfont %*************************************************************************** beginfont("EN:Danofloxacin","MW:357.385") MC(<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:*/_) endfont %*************************************************************************** beginfont("EN:Marbofloxacin","MW:362.361") MC(<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!) endfont %*************************************************************************** beginfont("EN:Ofloxacin","MW:361.373") MC(<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:/_) endfont %*************************************************************************** beginfont("EN:Ormetoprim","MW:274.324") MC(<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!) endfont %*************************************************************************** beginfont("EN:Amoxicillin","MW:365.4042") MC(<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) endfont %*************************************************************************** beginfont("EN:Ampicillin","MW:349.405") MC(<45,?4,-3=?5,2:N,7:S, 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,/*NH2,!,Ph) endfont %*************************************************************************** beginfont("EN:Benzyl-Penicillin","MW:334.4") MC(<45,?4,-3=?5,2:N,7:S, 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,NH,!,//O,!,!,Ph) endfont %*************************************************************************** beginfont("EN:Mecillinam","MW:325.4264") MC(<45,?4,-3=?5,2:N,7:S, 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, @4,*\^15,N,!!,!,?7,-7:N) endfont %*************************************************************************** beginfont("EN:Nafcillin","MW:414.4748") MC(<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) endfont %*************************************************************************** beginfont("EN:Oxacillin","MW:401.4363") MC(<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) endfont %*************************************************************************** beginfont("EN:Cloxacillin","MW:435.8813") MC(<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) endfont %*************************************************************************** beginfont("EN:Dicloxacillin","MW:470.3264") MC(<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) endfont %*************************************************************************** beginfont("EN:Cefalexin","MW:347.3889") MC(<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) endfont %*************************************************************************** beginfont("EN:Cefalonium","MW:458.5107") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, 3^45:/*H,1://O^15,@5,\*,//O,!,O,"-"^40, @4,*\^15,NH,!,//O,!2,?5,{-1,-3}=dl,-4:S, @6,\,!,|,Ph,1:N,1:"+"^180,@4,\,//O,!,NH2) endfont %*************************************************************************** beginfont("EN:Cefazorin","MW:454.51") MC(<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) endfont %*************************************************************************** beginfont("EN:Cefquinome","MW:528.6") MC(<45,?4,-3=?6,-4=dl,2:N,8:S, 3^45:/*H,1://O^15,@5,\*,//O,!,O,"-"^40, @4,*\^15,NH,!,//O,!,//'(N,!,O,!),!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2, @6,\,!,Ph,-2=?6,-10:N,-10:"+"^180) endfont %*************************************************************************** beginfont("EN:Ceftiofur","MW:523.5626") MC(<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) endfont %*************************************************************************** beginfont("EN:Cefuroxime","MW:424.3852") MC(<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) endfont %*************************************************************************** beginfont("EN:Apramycin","MW:539.58") MC(<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) endfont %*************************************************************************** beginfont("EN:Gentamycin","MW:477.596") MC(<-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!)) endfont %*************************************************************************** beginfont("EN:Kanamycin","MW:484.499") MC(<-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) endfont %*************************************************************************** beginfont("EN:DihydroStreptmycin","MW:583.574") MC(<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) endfont %*************************************************************************** beginfont("EN:Fradiomycin","MW:614.644") MC(<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) endfont %*************************************************************************** beginfont("EN:Streptmycin","MW:581.574") MC(<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) endfont %*************************************************************************** beginfont("EN:Neospiramycin","MW:698.9") MC(<-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) endfont %*************************************************************************** beginfont("EN:Emamectine","MW:886.133") MC(<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, {-1,-3,-7}=dl,(-11,-10)=?6[4],@-2,?6,-6=wf,-1=zb,-5=dl, {-1,-6}:O,-3:*/_,@-2,\,*/_,!2, 17:/_,19:/*_,@18,\,O,!,?6`.8,-1:O,-2:*/_,-4:*/O!, @-3,\,O,60,?6`.8,-5:O,-4:*/_,-3:/*NH!,-2:*/O!) endfont %*************************************************************************** beginfont("EN:Spinosad","MW:731.968") MC(<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,{3^25,7^-25}://O,1:/!, @-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?!) endfont %*************************************************************************** beginfont("EN:Spiramycin","MW:843.1") MC(<-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, @-6,\*^-30,O,!~wb,?6`.7,-5:O,-3:/*N?!,-4:*/_, @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, @8,\*,!,!!,O) endfont %*************************************************************************** beginfont("EN:Natamycin","MW:665.733") MC(<-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],##, {2,4,6,8,20}=dl,11=zb,23:O,-2:/*OH,-3:*/COOH, 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:/*_) endfont %*************************************************************************** beginfont("EN:Tylocin","MW:916.10") MC(<-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:/_, @-1,*\,-60,O,0~wb,?6`.7,-5:O,-3:/*OH,-4:*/_,{-1,-2}:/*O!, @7,\*,O,0~wb,?6`.7,-5:O,-2:*/N?!,-1:/*OH,-4:*/_, @-3,\*`1,O,60~wb`1.5,?6`.7,-5:O,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_, @8,\*,!,!!,O) endfont %*************************************************************************** beginfont("EN:Tilmicosin","MW:869.133") MC(<-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:/_, @-1,*\,-60,O,0~zb,?6`.7,-5:O,{-1,-2}:*/O!,-3:*/OH,-4:/*_, @7,\*,O,0,?6`.7,-5:O,-2:*/N?!,{-1,-3}:/*OH,-4:*/_, @8,\*,!2,?6`.7,-6:N,{-2,-4}:*/_) endfont %*************************************************************************** beginfont("EN:Chlortetracyclin","MW:478.88") MC(<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 ) endfont %*************************************************************************** beginfont("EN:Oxytetracyclin","MW:460.434") MC(<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) endfont %*************************************************************************** beginfont("EN:Tetracyclin","MW:444.435") MC(<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) endfont %*************************************************************************** beginfont("EN:Doxycyclin","MW:444.43") MC(<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) endfont %*************************************************************************** beginfont("EN:Tiamulin","MW:493.74") MC(<-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) endfont %*************************************************************************** beginfont("EN:Rifampicin","MW:822.94") MC(<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), -4:/*O!,@-6,-30,O,!,//O,!,@.$11,\,!!,N,!,|,?6,1:N,4:N!) endfont %*************************************************************************** beginfont("EN:Trenbolone","MW:270.37") MC(<30,?6,{3,10}=?6,13=?5,{2,11,15}=dl, 1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60) endfont %*************************************************************************** beginfont("EN:Luciferin","MW:280.33") MC(<30,Ph,3=?5,@8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH) endfont %*************************************************************************** beginfont("EN:Chlorophyll a","MW:893.509") MC(<-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}:/_) endfont %************************************************************************** beginfont("EN:Quercetin","MW:302.24") MC(<30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH) endfont %*************************************************************************** beginfont("EN:Limonin","MW:470.518") MC(<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) endfont %************************************************************************** beginfont("EN:Cromolyn","MW:468.37") MC(<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) endfont %************************************************************************** beginfont("EN:Emetine","MW:480.649") MC(<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!) endfont %************************************************************************** beginfont("EN:Acronycine","MW:321.376") MC(<30,Ph,|,-4=?6,1:N!,4://O,-3=Ph2,-1:/O!,|,-4=?6,2=dl,4:O,3:??) endfont %************************************************************************** beginfont("EN:Piperine","MW:285.343") MC(<30,Ph,|,-1=?5,{1,3}:O,@.$4,\,!!,!,!!,!,//O,!,|,?6,1:N) endfont %*************************************************************************** beginfont("EN:Febrifugine","MW:301.346") MC(<30,Ph,|,-4=?6,2=dl,{1,3}:N,4://O,@.$9,\,!,//O,!,!~zf,|,?6,2:NH,-1:*/OH) endfont %*************************************************************************** beginfont("EN:Mitomycine C","MW:334.332") MC(<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) endfont %*************************************************************************** beginfont("EN:Podophyllotoxin","MW:414.41"); MC(<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) endfont; %*************************************************************************** beginfont("EN:Warfarin","MW:308.333"); MC(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,@8,\,/Ph`1,60,!,//O,!) endfont; %*************************************************************************** beginfont("EN:Genistein","MW:270.24"); MC(<30,Ph,3=?6,9=dl,10:O,{2,6}:/OH,7://O,@8,\,Ph,-3:/OH) endfont; %*************************************************************************** beginfont("EN:Baicalein","MW:270.24"); MC(<30,Ph,3=?6,9=dl,10:O,{1,2,6}:/OH,7://O,@8,\,Ph) endfont; %*************************************************************************** beginfont("EN:Reserpine","MW:608.688"); MC(<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) endfont; %*************************************************************************** beginfont("EN:Rotenone","MW:394.423"); MC(<-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,*\,/_,!!) endfont; %*************************************************************************** beginfont("EN:Pyrethrin I","MW:328.452"); MC(<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) endfont; %*********************************************************************** beginfont("EN:Oseltamivir","MW:312.40") MC(<30,?6,3=dl,6:*/NH2,@1,\*,NH,!,//O,!,@2,*\,O,!,/!,!2,@4,\,//O,!,O,!2) endfont %************************************************************************** beginfont("EN:Paclitaxel","MW:853.918") MC(?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) endfont %************************************************************************** beginfont("EN:Mevastatin","MW:390.52") MC(<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) endfont %*************************************************************************** beginfont("EN:Sesamine","MW:354.35") MC(<54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H,{5,8}:*/'(Ph,4=?5,7:O,9:O)^-12) endfont %************************************************************************** beginfont("EN:Morphine","MW:285.343") MC(<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) endfont %*************************************************************************** beginfont("EN:Quinine","MW:324.424") MC(<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) endfont %*************************************************************************** beginfont("EN:Atoropin","MW:289.375") MC(<30,O,!,//O,!,!,Ph, @.$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N!,&3~wb,$3:/!OH~wv) endfont %*************************************************************************** beginfont("EN:Colchicine","MW:399.443") MC(<30,Ph,{1,2,6}:/O!,-4=?7,-5=?7,{-1,-4,-6}=dl,-2://O,-3:/O!,9:/NHCO!) endfont %*************************************************************************** beginfont("EN:Lycorine","MW:287.315") MC(<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) endfont %*************************************************************************** beginfont("EN:Ibotenic acid","MW:158.113") MC(<18,?5,4=dl,3:O,2:NH,1://O,@4,-24,/NH2,!,COOH) endfont %*************************************************************************** beginfont("EN:illudin S","MW:264.3") MC(<30,?6,3=?5,6:**?3,{4,7}=dl,2://O,5:/_, {1^35,8^35}:*/_,1:/*OH^-35,9:*/OH,8:/*!OH^-35) endfont %*************************************************************************** beginfont("EN:Muscarine","MW:174.26") MC(<18,?5,2:O,1:*/_,5:/*OH,@3,*\,48,N,??,"+"^180,!) endfont %*************************************************************************** beginfont("EN:Psilocybin","MW:284.248") MC(<30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,//O^-45,/OH^45,90,OH, @7,\,!,-60,N?!) endfont %*************************************************************************** beginfont("EN:Tetrodotoxine","MW:319.27") MC(#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) endfont %*************************************************************************** beginfont("EN:Aflatoxin B1","MW:312.27") MC(<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) endfont %*************************************************************************** bye