%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % molecular library file main_lib.mcf by Akira Yamaji 2024.01.25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % must use version 5.12 % tag1:var1;tag2:var2;tag3:var3 ..... % first character of line "%" comment out % first character of line ":" start MCF % first character of line "=" start parameter setting % first character of line "*" start ext(...) % first character of line "+" start add(...) % first character of line ";" stop MCF % CAT = CATegory,EN = Name,MW = Molecular weight %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %============================================================================== CAT:-;EN:-;MW:0;EXA:-; = sw_frame:=Atom; : <30,?6,3=?5,{1,3,5,9}=db,{2,6,9}:N,5:/NH2,7:NH * defaultscale:=.5; label.bot(decimal(fig_num)&":"&EN,(.5w,0)); + defaultscale:=.3; label.bot("A2",A2) withcolor red; label.top("A6",A6) withcolor red; label.top("A9",A9) withcolor red; ; %============================================================================== CAT:biological;EN:Adenine;MW:135.13;EXA:1 : <30,?6,3=?5,{1,3,5,9}=db,{2,6,9}:N,5:/NH2,7:NH ; %------------------------------------------------------------------------------ CAT:biological;EN:Guanine;MW:151.13;EXA:1 : <30,?6,3=?5,{1,3,9}=db,{2,9}:N,{6,7}:NH,5:?O,1:/NH2 ; %------------------------------------------------------------------------------ CAT:biological;EN:Cytosine;MW:111.10;EXA:1 : <30,?6,{4,6}=db,4:N,3:?O,2:NH,5:/NH2 ; %------------------------------------------------------------------------------ CAT:biological;EN:Thymine;MW:126.11;EXA:1 : <30,?6,3=db,{2,6}:NH,{1,5}:?O,4:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:Uracil;MW:112.09;EXA:1 : <30,?6,6=db,{3,5}:?O,{2,4}:NH ; %== Amino acid ================================================================ CAT:biological;EN:Glycine;MW:75.07;EXA:- : <30,NH2,!2,COOH ; %------------------------------------------------------------------------------ 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:1 : <30,NH2,!wb,/!?!,!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:L-Isoleucine;MW:131.16;EXA:- : <30,NH2,!wb,/?z+!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,/?+!w+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+(5:/OH),!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:L-Triptophan;MW:204.21;EXA:- : <30,NH2,!wb,!COOH,@2,\,!,<24,|,?5,2=dr,5=dl,2=Ph,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:L-DOPA;MW:197.19;EXA:- : <30,NH2,!wb,/!Ph+({4,5}:/OH),!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Ornithine;MW:132.16;EXA:- : <30,NH2,!wb,/!3+NH2,!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Citrulline;MW:175.2;EXA:- : <30,NH2,!wb,/!3+NH!+?O!+NH2,!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:GABA;MW:103.12;EXA:- : <30,NH2,!4,COOH ; %============================================================================== CAT:biological;EN:Citrate;MW:192.12;EXA:- : <30,COOH,!2,/COOH^30,/OH^-30,!2,COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:cis-Aconitate;MW:174.11;EXA:- : <30,COOH,!2,/COOH,!d,60,COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Isocitrate;MW:192.12;EXA:- : <30,COOH,!4,COOH,3:!COOH,4:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Oxalosuccinate;MW:190.11;EXA:- : <30,COOH,!2,/COOH,!?O!,COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:alfa-Ketoglutarate;MW:146.1;EXA:- : <30,COOH,!3,?O!,COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Succinate;MW:118.09;EXA:- : <30,COOH,!3,COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Fumarate;MW:116.07;EXA:- : <30,COOH,!,!d,!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Malate;MW:134.09;EXA:- : <30,COOH,!3,COOH,3:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Oxaloacetate;MW:132.07;EXA:- : <30,COOH,!,?O!2,COOH ; %============================================================================== CAT:biological;EN:Glucose 1;MW:180.16;EXA:1 : <30,?6,5:O,2:*/OH,{1,3}:/*OH,4:*/*OH,6:*/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Glucose 2;MW:180.16;EXA:1 : <-30,OH,!2,*/OH,!,/*OH,!,/*OH,!,/*OH,!,?O!,H ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Glucose;MW:180.16;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Fructose 1;MW:180.16;EXA:1 : <30,OH,!2,/*OH,!,*/OH,!,*/OH,!,?O!2,OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Fructose 2;MW:180.16;EXA:1 : <-18,?5,5:O,1^-48:*/*!OH,1^48:/OH,{2',3}:*/OH,4:/*!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Fluctose;MW:180.16;EXA:1 : Pyranose_hp,#.5,1^$-90:/OH,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Galactose;MW:180.16;EXA:1 : hexose_hp,#.5,{1^$90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Mannose;MW:180.16;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$90,4^$-90}:/OH,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:L-Fucose;MW:164.16;EXA:1 : hexose_hp,#.5,{1^$-90,2^$-90,3^$90,4^$90}:/OH,6^$-90:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Ribose;MW:150.13;EXA:1 : Pyranose_hp,#.5,{2^$-90,3^$-90,4^$90}:/OH,1^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Deoxyribose;MW:134.13;EXA:1 : Pyranose_hp,#.5,{2^$-90,4^$90}:/OH,1^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:D-Glucosamine;MW:179.17;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90:/NH2,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:N-acetyl-Glucosamine;MW:221.21;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90>lr:/NH!+?O!,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Glucuronic acid;MW:194.14;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$-90,4^$-90}:/OH,6^$90:/COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Maltose;MW:342.3;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Sucrose;MW:342.3;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$-50~arc_lb`1,O,$50~arc_br`1,<$0, |,#1.4,-35~wf_r,35~bd_r`1,30~wb_r,130`1.66,O,&1,##, #.5,{2^$-90,3^$90}:/OH,{1^$90,4^$-90}:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Lactose;MW:342.3;EXA:1 : hexose_hp,#.5,{1^$90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$0~arc_ltr,O,$0~arc_lbr, |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Cellobiose;MW:342.3;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,$0~arc_lbr,O,$0~arc_ltr, |,hexose_hp,#.5,{2^$90,3^$-90,4^$-90}:/OH,6^$90:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Trehalose;MW:342.3;EXA:1 : hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, @4,@(1,0),|,hexose_hp,#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH,##, ||,@4,$-37~arc_lb`3.25,O,&10~arc_br ; %============================================================================== CAT:biological;EN:Geraniol;MW:154.25;EXA:1 : <30,!8,OH,{2,6}=dr,{2,6}:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:Limonene;MW:136.24;EXA:- : <30,?6,2=dl,2:/_,5:*/?!d ; %------------------------------------------------------------------------------ CAT:biological;EN:l-Menthol;MW:156.27;EXA:1 : <30,?6,2:/*?!,5:*/_,3:*/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Allicin;MW:162.28;EXA:1 : <-30,!d,!2,S?O,!,S,!2,!d ; %------------------------------------------------------------------------------ CAT:biological;EN:Benzoic acid;MW:122.12;EXA:- : <30,Ph,3:/COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Gallic acid;MW:170.12;EXA:- : <30,Ph,3:/COOH,{1,5,6}:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Salicylic acid;MW:138.12;EXA:- : <30,Ph,3:/COOH,4:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Cinnamic acid;MW:148.16;EXA:- : <30,Ph,3:/!dr+!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Cinnamaldehyde;MW:132.16;EXA:- : <30,Ph,3:/!dr+!CHO ; %------------------------------------------------------------------------------ CAT:biological;EN:Caffeic acid;MW:180.16;EXA:1 : <30,Ph,{1,6}:/OH,3:/!d+!COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Vanillin;MW:152.15;EXA:1 : <30,Ph,1:/OH,6:/O!,4:/CHO ; CAT:biological;EN:alfa-Terpinene;MW:136.24;EXA:- : <30,?6,3:/?!,6:/_,{3,5}=db ; %------------------------------------------------------------------------------ CAT:biological;EN:beta-Terpinene;MW:136.24;EXA:- : <30,?6,3:/?!,6://_,3=db ; %------------------------------------------------------------------------------ CAT:biological;EN:gamma-Terpinene;MW:136.24;EXA:- : <30,?6,3:/?!,6:/_,{3,6}=db ; %------------------------------------------------------------------------------ CAT:biological;EN:delta-Terpinene;MW:136.24;EXA:- : <30,?6,3://?!,6:/_,5=db ; %------------------------------------------------------------------------------ CAT:biological;EN:Eugenol;MW:164.20;EXA:- : <30,Ph,1:/OH,6:/O!,4:/!+!d ; %------------------------------------------------------------------------------ CAT:biological;EN:Thymol;MW:150.22;EXA:- : <30,Ph,4:/OH,3:/?!,6:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:Anisaldehyde;MW:136.15;EXA:- : <30,Ph,4:/CHO,1:/O! ; %------------------------------------------------------------------------------ CAT:biological;EN:Benzaldehyde;MW:106.12;EXA:- : <30,Ph,4:/CHO ; %------------------------------------------------------------------------------ CAT:biological;EN:gamma-Nonalactone;MW:156.23;EXA:- : <18,?5,2:O,1:?O,3^-12:/!4 ; %------------------------------------------------------------------------------ CAT:biological;EN:gamma-Undecalactone;MW:184.27;EXA:- : <18,?5,2:O,1:?O,3^-12:/!6 ; %------------------------------------------------------------------------------ CAT:biological;EN:Muscone;MW:238.40;EXA:- : <-72,#1,60,-48,60,60,-48,60,60,-48,60,60,-48,60,60,-48,##,&1,9:?O,7:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:alfa-Pinene;MW:136.24;EXA:- : <30,?6,3:??,5:/_,5=db,@2,180~zf`1,&4~zb ; %------------------------------------------------------------------------------ CAT:biological;EN:beta-Pinene;MW:136.24;EXA:- : <30,?6,3:??,5://_,@2,180~zf`1,&4~zb ; %------------------------------------------------------------------------------ CAT:biological;EN:Neral;MW:152.24;EXA:- : <30,!?,!d,!3,?,!d,-60,CHO ; %------------------------------------------------------------------------------ CAT:biological;EN:Geranial;MW:152.24;EXA:- : <30,!?,!d,!3,?,!d,!,CHO ; %------------------------------------------------------------------------------ CAT:biological;EN:p-Cymene;MW:134.21;EXA:- : <30,Ph,4:/?!,1:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:Benzyl-acetate;MW:150.18;EXA:- : <30,Ph,@4,\,?O!,O!,!,Ph ; %------------------------------------------------------------------------------ CAT:biological;EN:Benzyl-benzoate;MW:212.25;EXA:- : <30,Ph,4:/!O!+?O! ; %------------------------------------------------------------------------------ CAT:biological;EN:Stearic acid;MW:284.48;EXA:1 : <30,!17,COOH ; %------------------------------------------------------------------------------ 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;EXA:1 : <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2 ; %------------------------------------------------------------------------------ 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:Thiamine;MW:265.35;EXA:1 : <30,Ph,4:/NH2,@3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_, -3:/!2+OH^-12,8:p_^72 ; %------------------------------------------------------------------------------ CAT:biological;EN:Riboflavin;MW:376.37;EXA:1 : <30,Ph,{3,9}=?6,{8,16}=dl,{7,10,14}:N,12:NH,{11,13}:?O,{1,6}:/_, @10,\`1.5,!,*/OH,!,/*OH,!,*/OH,!2,OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Nicotinic acid;MW:123.11;EXA:1 : <30,Ph,2:N,4:/COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Nicotinamide;MW:122.12;EXA:1 : <30,Ph,2:N,4:/?O+!NH2 ; %------------------------------------------------------------------------------ CAT:biological;EN:Pantothenic acid;MW:219.23;EXA:1 : <30,OH,!8,COOH,3:??,4^35:/*H,4^-20:*/OH,5:?O,6:NH ; %------------------------------------------------------------------------------ CAT:biological;EN:Pyridoxine;MW:169.18;EXA:1 : <30,Ph,2:N,3:/_,4:/OH,{5,6}:/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Biotin;MW:244.31;EXA:1 : <18,?5,4=?5,2:S,{6,8}:NH,7:?O,{4^-54,5^54}:*/H,3:/*!4+COOH^-12 ; %------------------------------------------------------------------------------ CAT:biological;EN:Folic acid;MW:441.3975;EXA:1 : <30,?6,3=Ph2,1=dl,{2,7,10}:N,6:NH,5:?O,1:/NH2, @9,\,!NH!,Ph,@-3,\,?O,!NH!,/*COOH,!3,COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Carotene;MW:536.8726;EXA:1 : <30,?6,@4,\,!18,?6, {8,10,12,14,16,18,20,22,24}=dr,{5,9,13,18,22,-5}:/_,{4,-6}=dl,{3,-1}:?? ; %------------------------------------------------------------------------------ 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;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;EXA:1 : <30,Ph,2:N,4:/?5+(2:N?) ; %------------------------------------------------------------------------------ CAT:biological;EN:Capsaicin;MW:305.418;EXA:1 : <30,Ph,1:/OH,6:/O!,@4,\,!NH!,?O,!7,?!,-3=dl ; %------------------------------------------------------------------------------ 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://_,{13,8'}:*/OH,14:*/_,{1,4}:*/H^60 ; %------------------------------------------------------------------------------ CAT:biological;EN:Cholesterol;MW:386.664;EXA:1 : <30,?6,{-4,-2}=?6,-4=?5,7=dl, 1:*/OH,{4,12}:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H,@-1,17,/*_,!4,?! ; %------------------------------------------------------------------------------ CAT:biological;EN:Resveratrol;MW:228.24;EXA:1 : <30,Ph,@4,\,!d,!Ph,{2,6,-3}:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Glutathione;MW:307.33;EXA:1 : <-30,COOH,!,/*NH2,!3,?O,!NH!,*/!SH,!,?O!,NH,!2,COOH ; %------------------------------------------------------------------------------ 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,{9^60,11'^-60}:*/H ; %------------------------------------------------------------------------------ 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;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:/!d,25:/*?O!+O!,26:?O, @2,*\^-6,!2,?O!,O!2,!d,|,!13,{1,5,9,13}:/_ ; %------------------------------------------------------------------------------ CAT:biological;EN:Alizarin;MW:240.21;EXA:1 : <30,Ph,3=?6,-3=Ph2,{7,10}:?O,{13,14}:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Indigo;MW:262.26;EXA:1 : <30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}:?O ; %------------------------------------------------------------------------------ CAT:biological;EN:6,6'-dibromoindigo;MW:420.0549;EXA:1 : <30,Ph,3=?5,@-2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}:?O,{1,-2}:/Br ; %------------------------------------------------------------------------------ CAT:biological;EN:Carminic Acid;MW:492.39;EXA:1 : <30,Ph,3=?6,-3=Ph2,{7,10}:?O,{2,5,6,13}:/OH,11:/_,12:/COOH, @1,\~wb`1,?6,-5:O,{-1,-2',-3}:/*OH,-4:*/!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Curcumin;MW:368.38;EXA:1 : <30,Ph,@3,\,!7,Ph,{8,13}=dr,{9,11}:?O,{6,-3}:/OH,{5,-4}:/O! ; %------------------------------------------------------------------------------ CAT:biological;EN:Berberine;MW:336.36;EXA:1 : <30,Ph,3=Ph,-3=?6,-2=Ph2,-3=?5,8:N,8:p_^60,{-1,-3}:O,{1>vt,2}:/!OH ; %============================================================================== CAT:biological;EN:Apigenin;MW:270.24;EXA:- : <30,Ph,{2,6}:/OH,3=?6,9=dl,10:O,7:?O,9:/Ph+(-3:/OH) ; %------------------------------------------------------------------------------ CAT:biological;EN:Luteolin;MW:286.24;EXA:- : <30,Ph,{2,6}:/OH,3=?6,9=dl,10:O,7:?O,9:/Ph+({-2,-3}:/OH) ; %------------------------------------------------------------------------------ CAT:biological;EN:Flavone;MW:222.24;EXA:1 : <30,Ph,3=?6,9=dl,10:O,7:?O,9:/Ph, ; %------------------------------------------------------------------------------ CAT:biological;EN:Isoflavone;MW:222.24;EXA:- : <30,Ph,3=?6,9=dl,10:O,7:?O,8:/Ph, ; %------------------------------------------------------------------------------ CAT:biological;EN:Flavanone;MW:224.25;EXA:- : <30,Ph,3=?6,10:O,7:?O,9:/Ph, ; %------------------------------------------------------------------------------ CAT:biological;EN:Flavonol;MW:238.24;EXA:1 : <30,Ph,3=?6,9=dl,10:O,7:?O,8:/OH,9:/Ph, ; %------------------------------------------------------------------------------ CAT:biological;EN:Cianidanol;MW:290.27;EXA:1 : <30,Ph,3=?6,@8,*\,Ph,7:O,{1,5,9~zf,13,14}:/OH ; %------------------------------------------------------------------------------ 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;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,{4^60,8'^60}:*/_,18:??,{1^60,5^180,16^60}:/*H, @14,\*,|,?5,{1,4}=dl,3:O ; %------------------------------------------------------------------------------ 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;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;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;EXA:1 : <30,Ph,-1=?5,{-1,-3}:O,@4,\,!d,!,!d,!,?O!,?6,-6:N ; %------------------------------------------------------------------------------ CAT:biological;EN:Febrifugine;MW:301.34;EXA:1 : <30,Ph,3=?6,@9,8=dl,\,!2,!zb,?6,{7,9}:N,-5:NH,{10,12}:?O,-1:*/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Hypericin;MW:504.44;EXA:1 : <30,Ph,{-4,-3,11--4,16---17,19,23---24,22--29}=?6, {12,14,16,17,22',24,26,28,33,35}=dl, {7,25}:?O,{13,26}:/_,{2,6,11,21,23,28}:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Camphor;MW:152.23;EXA:1 : #1,15,-30,90,90,30,##,&1,@2,0~si_`1.6,&5,{-1^45,-1^-65,5^-45}:/_,4:?O ; %------------------------------------------------------------------------------ CAT:biological;EN:Sparteine;MW:234.3803;EXA:1 : <30,?6,3=?6,9=wf,10=wb,@8,#1,60,60,N,60,##,&10,-3=?6,3:N,{4^60,11'^-60}:*/H ; %------------------------------------------------------------------------------ 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;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^-60,12'^60}:*/H ; %------------------------------------------------------------------------------ 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;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;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;EXA:1 : <54,Ph,3=?5,{-2,-4,-3}=?6,9=dl,11:N,7:NH,{10'^-60,15^-60,16^60}:/*H, @20,*\,O!,?O,!Ph,{-2,-3,-4,1,19~zf>rl}:/O!,18:*/?O!+O!>lr ; %------------------------------------------------------------------------------ CAT:biological;EN:Rotenone;MW:394.423;EXA:1 : <-60,?5,{-3,-2,-3,-4}=?6,{3',7,9,17',-2,-4}=dl, {2,13,16}:O,10:?O,{11^-60,12^60}:*/H,{-2,-3}:/O!,1:*/?!d ; %------------------------------------------------------------------------------ CAT:biological;EN:Pyrethrin I;MW:328.452;EXA:1 : <30,?3,{3^35,3'^-35}:*/_,@1,*\,!d,?!, @2,\*,?O!,O,-36~zb,|,?5,-2=dl,-1:/_,-3:?O,@-2,\,!4,{-1,-3}=dl ; %------------------------------------------------------------------------------ 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;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>rl,12'^-15>lr}:*/O!+?O! ; %------------------------------------------------------------------------------ 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;EXA:1 : <54,?5,1=?5,{4,7}:O,{1^-54,2^54}:*/H, 5^-12:*/Ph+(4=?5)+(7:O)+(9:O),8^-12:*/Ph+(4=?5)+(7:O)+(9:O) ; %------------------------------------------------------------------------------ CAT:biological;EN:Morphine;MW:285.343;EXA:1 : <30,Ph,{2,-4}=?6,1---12=?5,-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;EXA:1 : <30,Ph,3=Ph,7:N,6:/O!, @10,\,*/OH,/*H^-60,!,|,?6,2:N,1:*/H^60,@4,*\,!d,@2,165~zf,60,&5~zb ; %------------------------------------------------------------------------------ CAT:biological;EN:Atoropin;MW:289.375;EXA:1 : <30,O!,?O!2,Ph,@$1,\~zb^-60,|,?7`1.1,@6,*\^190`1.25,N?,&3~wb,$3:/!OH~wv ; %------------------------------------------------------------------------------ CAT:biological;EN:Colchicine;MW:399.443;EXA:1 : <30,Ph,{1,2,6}:/O!,{-4,-5}=?7,{-1,-4,-6}=dl,-2:?O,-3:/O!,9:/NH!+?O! ; %------------------------------------------------------------------------------ CAT:biological;EN:Lycorine;MW:287.315;EXA:1 : <30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O, {9'^180,10^60}:*/H,{13,14'}:*/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Ibotenic acid;MW:158.113;EXA:1 : <18,?5,4=dl,3:O,2:NH,1:?O,4:/?NH2+!COOH^-24 ; %------------------------------------------------------------------------------ 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'^-35,9}:*/OH,8:/*!OH^-35 ; %------------------------------------------------------------------------------ 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;EXA:1 : <30,Ph,3=?5,8=dl,9:NH,@2,\,O,-60,P,?O^-45,/OH^45,90,OH,7:/!2+N?!>lr ; %------------------------------------------------------------------------------ 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:NH,6^180:NH ; %------------------------------------------------------------------------------ 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 ; %------------------------------------------------------------------------------ CAT:biological;EN:Aflatoxin B2;MW:314.3;EXA:- : <30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O, 2:/O!,{8,11}:?O,{15^-54,16^54}:*/H ; %------------------------------------------------------------------------------ CAT:biological;EN:Aflatoxin G1;MW:328.27;EXA:2 : <30,Ph,6=?6,-2=?6,4=?5,-2=?5,{-2,10}=dl,{7,12,15,18}:O, 2:/O!,{8,11}:?O,{16^-54,17^54}:*/H ; %------------------------------------------------------------------------------ CAT:biological;EN:Aflatoxin G2;MW:330.29;EXA:- : <30,Ph,6=?6,-2=?6,4=?5,-2=?5,10=dl,{7,12,15,18}:O, 2:/O!,{8,11}:?O,{16^-54,17^54}:*/H ; %------------------------------------------------------------------------------ CAT:biological;EN:Aflatoxin M1;MW:328.3;EXA:- : <30,Ph,6=?6,-2=?5,4=?5,-2=?5,{-2,10}=dl,{7,14,17}:O, 2:/O!,{8,11}:?O,15^-54:*/H,16^54:*/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Aflatoxin M2;MW:330.29;EXA:- : <30,Ph,6=?6,-2=?5,4=?5,-2=?5,10=dl,{7,14,17}:O, 2:/O!,{8,11}:?O,15^-54:*/H,16^54:*/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Ochratoxin A;MW:403.813;EXA:1 : <30,Ph,@4,\,!,/*COOH,!`1.2,NH,!`1.2,?O!, Ph,-2:/Cl,-5:/OH,-4=?6,-3:O,-2:*/_,-4:?O ; %------------------------------------------------------------------------------ CAT:biological;EN:Deoxynivalenol;MW:296.32;EXA:1 : <30,?6,3=?6,5=dl,1:?O,6:/_,-1:O,{4'^60,-2}:*/H,7^30:*/_,@7,72`.9,80`1.3,&9, @8,?3,-3=wf_,-1=si_,-1:O,{2,12^18}:/*OH,3:/*!OH^-60`1 ; %------------------------------------------------------------------------------ CAT:biological;EN:Patulin;MW:154.12;EXA:1 : <30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8:?O ; %------------------------------------------------------------------------------ CAT:biological;EN:Citrinin;MW:250.247;EXA:1 : <30,?6,3=?6,{2,5,11}=dl,9:O,1:?O,2:/_,{7,8'}:*/_,5:/OH,6:/COOH ; %------------------------------------------------------------------------------ CAT:biological;EN:Zearalenone;MW:318.364;EXA:1 : <30,Ph,@3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}:?O ; %------------------------------------------------------------------------------ CAT:biological;EN:Fumonisin B1;MW:721.83;EXA:1 : <30,!19,@6,*\,O!,?O!2,/COOH,!2,COOH,@7,\*`1.2,O!,?O!2,/COOH,!2,COOH, {5,9}:/*_,{11,16,18'}:*/OH,19:/*NH2 ; %------------------------------------------------------------------------------ CAT:biological;EN:Dicumarol;MW:336.295;EXA:- : <30,Ph,3=?6,@8,\`1.5,!`1.5,?6,-4=Ph2,{8,14}=db,{10,16}:O,{9,17}:?O,{7,13}:/OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Dihydroxybergamotin;MW:338.40;EXA:- : <30,Ph,3=?6,6=?5,{10,13}=db,{7,13}:O,8:?O,@5,\,O,!2,!d,/_,!3,/OH,!,??,!OH ; %------------------------------------------------------------------------------ CAT:biological;EN:Bergamotin;MW:338.40;EXA:- : <30,Ph,3=?6,6=?5,{10,13}=db,{7,13}:O,8:?O,@5,\,O,!2,!d,/_,!3,!d,?! ; %------------------------------------------------------------------------------ CAT:biological;EN:Alkannin;MW:288.29;EXA:- : <30,Ph,3=?6,9=db,{2,5}:/OH,{7,10}:?O,@8,\,/*OH,!2,!d,?! ; %============================================================================== CAT:synthetic;EN:Benzene;MW:78.11;EXA:- : <30,Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Phenol;MW:94.11;EXA:- : <30,Ph,3:/OH ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Aniline;MW:93.13;EXA:- : <30,Ph,3:/NH2 ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Picric acid;MW:229.10;EXA:- : <30,Ph,{1,3,5}:/NO2,2:/OH ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1 : <30,Ph,{1,2,3,4,5,6}:/Ph ; %============================================================================== CAT:synthetic;EN:Naphthalene;MW:128.17;EXA:1 : <30,Ph,3=Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Anthracene;MW:178.23;EXA:1 : <30,Ph,{3,6}=Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Phenanthrene;MW:178.23;EXA:1 : <30,Ph,{4,6}=Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Naphthacene;MW:228.3;EXA:1 : <30,Ph,{6,3,-3}=Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Chrysene;MW:228.3;EXA:1 : <30,Ph2,{6,4,-4}=Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Pyrene;MW:202.25;EXA:1 : <30,Ph2,{6,4}=Ph,16---7=?6,-2=dl ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Coronene;MW:300.35;EXA:1 : <30,Ph,{1,11--2,15--3,19--4,23--5,27---7}=?6,{9,12,14,17,20,22,25,28,30}=dl ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Kekulene;MW:600.7;EXA:1 : <30,?6,{3,-3,-2,-3,-2,-3,-2,-3,-2,-3,-2----5,5---- -4}=?6, {1,5',7,9,11,13,17,19,21,23,27,29,31,33,37,39,41,43,47,49,51,53,57,60}=dl ; %============================================================================== CAT:synthetic;EN:12-Crown-4;MW:176.21;EXA:- : <-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,&1 ; %------------------------------------------------------------------------------ CAT:synthetic;EN:15-Crown-5;MW:220.26;EXA:2 : <-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,&1 ; %------------------------------------------------------------------------------ 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;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;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;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;EXA:1 : <30,Ph,{2,4,6}:N,{1,3,5}:/NH2 ; %============================================================================== CAT:synthetic;EN:Tartrazine;MW:534.3;EXA:1 : <30,Ph,1:/SO3Na,@4,\,N,!d,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH, -3:/Ph+(4:/SO3Na) ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Disperse yellow 3;MW:269.30;EXA:1 : <30,Ph,2:/_,5:/OH,@4,\,N,!d,N,!Ph,-3:/NH!+?O! ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Disperse orenge 30;MW:450.27;EXA:1 : <30,Ph,1:/NO2,{3,5}:/Cl,@4,\,N,!d,N,!Ph,@-3,\,N,/!2+CN,!2,O!,?O,!O! ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Disperse red 65;MW:371.82;EXA:1 : <30,Ph,1:/NO2,3:/Cl,@4,\,N,!d,N,!Ph,-1:/_,@-3,\,N,/!2+CN,!2 ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Erythrosine;MW:835.9;EXA:1 : <30,Ph,{3,9}=?6,{8,13,16}=dl,10:O,-2:?O,{1,5,12,14}:/I,@7,\,Ph,-1:/COOH,6:/OH ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Sudan red 1;MW:248.28;EXA:1 : <30,Ph,1=Ph,4:/OH,@3,\,N,!d,N,!Ph ; %------------------------------------------------------------------------------ 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_,@2,@(3.5,1.5),Cl,n_^15 ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Disperse red 11;MW:268.274;EXA:1 : <30,Ph,3=?6,-3=dr,9=Ph,{7,10}:?O,{-1,-4}:/NH2,-2:/O! ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Disperse red 60;MW:331.326;EXA:1 : <30,Ph,3=?6,-3=dr,9=Ph,{7,10}:?O,{-1,-4}:/NH2,-2:/O!+Ph ; %------------------------------------------------------------------------------ CAT:synthetic;EN:Disperse violet 26;MW:422.438;EXA:1 : <30,Ph,3=?6,-3=dr,9=Ph,{7,10}:?O,{-1,-4}:/NH2,{-2>-30,-3>30}:/O!+Ph ; %------------------------------------------------------------------------------ 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: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;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:Penicillin G;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!2,Ph ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Penicillin V;MW:350.3895;EXA:1 : <45,?4,-3=?5,2:N,7:S,3^45:/*H,1:?O^15,5:/*COOH^-18,6:??, @4,*\^15,NH!,?O!2,O,!Ph ; %------------------------------------------------------------------------------ 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,!d,!,?7,-7:N ; %------------------------------------------------------------------------------ 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;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;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;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:/Ph+({2,6}:/Cl)^-24 ; %------------------------------------------------------------------------------ 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;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;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:Cefoperazone;MW:645.67;EXA:1 : <45,?4,-3=?6,-4=dl,2:N,8:S,3^45:/*H,1:?O^15,5:/*COOH, @4,*\^15,NH!,?O!,/*Ph+(4:/OH),!NH!,?O!,?6,{-3,-6}:N,{-4,-5}:?O,-3:/!, @6,\,!,S,!,?5,{-3,-5}=dl,-1:/_,{-1,-2,-3,-4}:N, ; %------------------------------------------------------------------------------ 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;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;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;EXA:1 : <30,?6,3=?6,{2,10}:O,@1,\*,O,60~zb,?6,@9,\*,O,-60~zb,?6,-5:O, {7,13,14',-1',-2}:*/OH,{6',15,17,-3'}:*/NH2,8:*/NH!^-20, -4:*/!OH,{3'^-60,4^60}:*/H ; %------------------------------------------------------------------------------ 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,{2,4,20'}:*/NH2,6:*/OH, 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:*/?!+NH! ; %------------------------------------------------------------------------------ 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',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2 ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:1 : <30,?6,3:O,2:/*!NH2,{1,6'}:*/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,-3'}:*/OH,-4:/*!NH2>60 ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Streptmycin;MW:581.574;EXA:1 : <54,?5,3:O,4:/*_,5:/OH^45,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, 5:/!dO^-48,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!, {17^-18,19}:*/NH!+?NH+!NH2 ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Streptmycin-H2O;MW:599.574;EXA:- : <54,?5,3:O,4:/*_,5:/OH^60,@1,\*,O,-24~wb,?6,-5:O,@2,*\,O,24~zb,?6, @5,-18,/OH^15,45,OH,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!, {17^-18,19}:*/NH!+?NH+!NH2 ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:dihydro-Streptmycin;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, {10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,{17^-18,19}:*/NH!+?NH+!NH2 ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Spectinomycin;MW:332.35;EXA:1 : <30,?6,{3,9}=?6,7=zf,11=wb,{7,10,14}:O,9^60:*/H,11:?O,{1,5',8^-60}:*/OH, 13:/*_,{2,6}:*/NH! ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Tobramycin;MW:467.51;EXA:1 : <-30,?6,@1,\*,O,0~zb,?6,-5:O,@5,\,O,0,?6,-5:O, {2,4,12,20'}:*/NH2,{6',11,13,18}:/*OH,10:*/!OH,17:*/!NH2 ; %------------------------------------------------------------------------------ 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,8:/*!+!dO, @-6,\*^-30,O,!wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##, ; %------------------------------------------------------------------------------ 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,{1,10^-30}:/*_,5:/*OH,3:?O,6:/*O!>vt,8:/*!+!dO, @-6,\*^-30,O,!wb,?6`.7,-5:O,#.5,-3:/*N?!,-4:*/_,##, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-4:*/_,{-1,-3}:/*OH,##, ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Josamycin;MW:827.995;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:/*_,3:?O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*O!+?O!^-25,8:/*!+!dO, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##, @-3,*\,O,60,?O,60,-60,/_,!, ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Leucomycin A5;MW:771.942;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:/*_,3:?O,10:/*_,6:/*O!>vt,-6:/*OH,5:/*OH,8:/*!+!dO, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,-2^35:*/OH,{-2^-35,-4}:/*_,##, @-3,*\,O,60,?O,60,-60,60, ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Erythromycin;MW:733.93;EXA:1 : <30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, 14:O,13:/*!,{1,9}:?O,{2',4,6^-35,8,10',12^35}:/*_, {6^35,11,12^-35}:*/OH, @$3,\*,O,30~zb,|,?6`.7,6:O,#.5,{5~wf,3^35}:/_,4:/*OH,3^-35:/*O!,##, @$5,\*^30`1.7,O,!zb,|,?6`.7,6:O,#.5,5:/*_,2:*/OH,3:/*N?! ; %------------------------------------------------------------------------------ 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, {-1,-3,-7}=dl,-11--(-10)=?6,@-2,?6,-6=wf,-1=zb,-5=dl, {-1,-6}:O,-3:*/_,@-2,\,*/_,!2, 17:/_,19:/*_,@18,\,O!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##, @-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O! ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Spinosad;MW:731.968;EXA:2 : <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,-2'^-60}:*/H,-2=?5,2:O,{3^25,7^-25}:?O,1:*/!, @-2,\*,O,66~zb,?6`.7,-1:O,#.5,-2:*/_,{-3',-4,-5}:*/O!,8:*/_,5^-65:*/H,##, @9,\*,O,!zb,|,?6`.7,6:O,#.5,5:/*_,4:*/N?! ; %------------------------------------------------------------------------------ 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, {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,*\^15,O,90,?6`.7,-1:O,#.5,{-3,-5'}:*/OH,-4:/*NH2,-2:/*_ ; %------------------------------------------------------------------------------ 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:/_,8:/*!+!dO, @-1,*\,-60,O,0~wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/*O!,##, @7,\*,O,0~wb,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, @-3,\*`1,O,60~wb,?6`.7,-5:O,#.5,{-2^35,-3}:*/OH,{-2^-35,-4}:/*_,##, ; %------------------------------------------------------------------------------ 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:/_, @-1,*\,-60,O,0~zb,?6`.7,-5:O,#.5,{-1,-2}:*/O!,-3:*/OH,-4:/*_,##, @7,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,{-1,-3}:/*OH,-4:*/_,##, @8,\*,!2,?6`.7,-6:N,#.5,{-2,-4}:*/_ ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Mirosamicin;MW:727.8791;EXA:1 : <-90,#1,60,60,-60,60,60,-60,60,60,-60,60,60,60,-60,60,-60,&1,##, @8,\*,O,0,?6`.7,-5:O,#.5,-2:*/N?!,-1:/*OH,-4:*/_,##, {5,13}=dl,15=?3,-2=wf,-1=wb,-1:O,3:O,2:/*!,{4,12}:?O,{7,9,11'}:*/_,1:/*OH^-80, @1,*\,!,O,!wb,?6`.7,-5:O,#.5,-3:/*OH,-4:*/_,{-1,-2}:/O! ; %------------------------------------------------------------------------------ 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:/?O!+NH2 ; %------------------------------------------------------------------------------ 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:/?O!+NH2 ; %------------------------------------------------------------------------------ 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:/?O!+NH2 ; %------------------------------------------------------------------------------ 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;EXA:1 : <-45.5,?8,-3=?5,@8,#.8,-210~zf,/_^60,45,56,##,&6~zb, {3^-45,5,8}:*/_,@3,\*^30,!d,4:/*OH,11:?O,7:*/H^60, @1,15,O!,?O!2,S,60,60,-60,N?2,!2 ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Rifampicin;MW:822.94;EXA:2 : <30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,{-2,-4}=dl,{-1,-4}:/OH, #1,@-2,\,NH,60,-60,60~dl,60,60~dl,-60, 60,-60,60,60,-60,60,-53,66,-53~dl,66`1.2,O,##,&$8, ||,{9,15}:?O,16:/_,{20,24^30}:*/_,{21,23}:/*OH,{8^60,22,26^30}:/*_, -4:/*O!,@-6,-30,O!,?O!,@$11,\,!d,N,!,|,?6,1:N,4:N? ; %============================================================================== CAT:pesticide;EN:BHC;MW:290.83;EXA:1 : <30,?6,{1,2',3,4,5',6}:*/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:pp-DDT;MW:354.49;EXA:1 : <30,Ph,6:/Cl,@3,\,/?Cl?Cl!Cl,!Ph,-3:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:op-DDT;MW:354.49;EXA:- : <30,Ph,4:/Cl,@3,\,/?Cl?Cl!Cl,!Ph,-3:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:pp-DDD;MW:320;EXA:- : <30,Ph,6:/Cl,@3,\,/?Cl!Cl,!Ph,-3:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:pp-DDE;MW:318;EXA:- : <30,Ph,6:/Cl,@3,\,//?Cl!Cl,!Ph,-3:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:XMC;MW:179.2;EXA:- : <30,Ph,{1,5}:/_,@3,\,O!,?O!,NH! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Acrinathrin;MW:541.45;EXA:1 : <-30,?3,{2^-35,2'^35}:*/_, @1,\,!d,!,?O,!O!,/?F?F!F,!,?F?F!F,@3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Azaconazole;MW:300.139;EXA:1 : <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:1 : <30,Ph,2:/_,4:/!,@3,\,N,/?O!2+Cl,!2,O!2 ; %------------------------------------------------------------------------------ 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:Alachrol;MW:269.8;EXA:1 : <-30,!,O!2,N,/Ph+({-5,-1}:/!),!,?O!2,Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Isoprcarb;MW:193.246;EXA:1 : <30,Ph,2:/?!,3:/O!+?O!+NH! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Isoprothiolane;MW:290.4;EXA:1 : <30,!?!,O!,?O!,//?5+({2,5}:S),!?O,!O,!?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Iprobenfos;MW:288.34;EXA:1 : <30,!?!,O!,P,?O,/O+!?!^170,!,S,!2,Ph ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Uninnazole-P;MW:291.779;EXA:1 : <30,Ph,6:/Cl,@3,\,!d,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Esprocarb;MW:265.4;EXA:1 : <30,Ph,@3,\,!S!,?O!,N?2!,?!,?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Ethalfluralin;MW:333.3;EXA:1 : <30,Ph,{1,3}:/NO2,5:/?F?F!F,@2,\`1.1,/!,N,!2,/_,!d ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Ethofenprox;MW:376.5;EXA:1 : <30,Ph,@5,\,O,!Ph,@10,\,O!3,??,!Ph,-3:/O!2 ; %------------------------------------------------------------------------------ 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: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:pesticide;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:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:1 : <30,Ph,6:/?F?F!F,4:/Cl,@3,\,O,!Ph,-3:/NO2,-4:/O!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cafenstrole;MW:350.4;EXA:1 : <30,Ph,{2,4,6}:/_,@3,\,S?O?O,!,|,?5,{2,5}=dl,{2,4,5}:N,-2:/?O!+N?2+!2 ; %------------------------------------------------------------------------------ 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:/?F!F,-2:/_ ; %------------------------------------------------------------------------------ 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:Quinoxyfen;MW:308.13;EXA:1 : <30,Ph,4=Ph,10:N,{2,6}:/Cl,@7,\,O,!Ph,-3:/F ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Quitozene;MW:295.3;EXA:1 : <30,Ph,{1,2,3,4,6}:/Cl,5:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:1 : <30,Ph,@3,\,/?O!+O!,!d,N,!O!,@4,\,!,O,!Ph,-1:/_ ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Clomazone;MW:239.7;EXA:1 : <30,Ph,2:/Cl,@3,\,!,|,?5,1:N,2:O,-2:??,-1:?O ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorfenapyr;MW:407.62;EXA:1 : <18,?5,3=dl,5=dl,2:N,4:/CN,5:/Br,1:/?F?F!F,2:/!O!2,3:/Ph+(-3:/Cl) ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorfenson;MW:303.153;EXA:1 : <30,Ph,@3,\,O!,S?O?O,!Ph,{6,12}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorpropham;MW:213.7;EXA:1 : <30,Ph,6:/Cl,@4,\,NH!,?O!,O,!?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorbenside;MW:269.183;EXA:1 : <30,Ph,@3,\,S,!2,Ph,{6,12}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:1 : <30,Ph,@3,\,/OH^-35,/?O!+O!2^30>lr,!Ph,{6,11}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorantraniliprole;MW:483.15;EXA:1 : <30,Ph,1:/Cl,3:/_,@5,\,?O,60,NH!,@4,\,NH!,?O!,<24,?5, {-1,-3}=db,{-3,-4}:N,-2:/Br, @-4,24,Ph,-5:N,-1:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Azoxystrobin;MW:403.4;EXA:1 : <30,Ph,2:/CN,@3,\,O,!Ph,{-1,-3}:N,@-4,\,O,!Ph,@-5,\,/?O!+O!,!d,!O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Thiuram;MW:240.43;EXA:1 : <30,!,N?!,//S,!,S,!,S,!,//S,!,N?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Probenazole;MW:223.25;EXA:1 : <12,Ph,3=?5,9=dl,7:S,8:N,{7^35,7^-35}:?O,9:/O!2+!d ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Penflufen;MW:317.41;EXA:1 : <30,Ph,@3,\,NH!,?O!,?5,{-1,-4}=db,{-2,-3}:N,{-2,-4}:/_,-1:/F,@4,\,/_,60,!?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:MCPA;MW:200.62;EXA:1 : <30,Ph,1:/Cl,5:/_,4:/O!2+COOH ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Asulam;MW:230.2;EXA:1 : <30,Ph,1:/NH2,@3,\,S?O?O,!NH!,?O!,O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Imazosulfuron;MW:412.81;EXA:1 : <-11.8,?6,3=?5,{1,5,7,9}=db,{4,7}:N,8:/Cl, @-1,\,S?O?O,!NH!,?O,!NH!,Ph,{-1,-5}:N,{-2,-4}:/O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Triaziflam;MW:333.4;EXA:1 :, <30,Ph,{2,6}:/_,@4,\,O!2,?!,NH!,Ph,{-1,-3,-5}:N,-2:/NH2,-4:/??+!F ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Trichlopyr;MW:256.47;EXA:1 :, <30,Ph,2:N,{1,4,6}:/Cl,3:/O!2+COOH ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Halosulfuron-methyl;MW:434.82;EXA:1 :, <6,?5,{3,5}=db,{1,2}:N,2:/_,5:/Cl,@3,\,S?O?O,!NH!,?O,!NH!,Ph,{-2,-4}:/O!, 4:/?O!+O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Flupoxam;MW:460.8;EXA:2 : <30,Ph,4:/Cl,@1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph,-3:/?O!+NH2, @3,\,!,O!2,/F^35,/F^-35,!,?F?F!F ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cyanazine;MW:240.7;EXA:1 : <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!+??+!CN ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Diethofencarb;MW:267.3;EXA:1 : <30,Ph,@4,\,NH!,?O!,O,!?!,{1,6}:/O!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:1 : <30,Ph,{4,6}:/Cl,@3,\,O,!Ph,@-4,\,O,!?!,?O,!O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cyhalothrin;MW:449.86;EXA:1 : <-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/?F?F!F,!Cl, @3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:1 : <30,Ph,1:/CN,4:/F,@3,\,O,!Ph,@-3,\,O,!?!,?O!,O,!4 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Diphenamid;MW:239.3;EXA:1 : <30,Ph,@3,\,!Ph,-5:/?O!+N?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cyfluthrin;MW:434.3;EXA:1 : <-30,?3,{2^-35,2'^35}:*/_, @1,\,!d,/Cl,!Cl,@3,\,?O,!O!,/CN,!Ph,-3:/F,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Diflufenican;MW:394.29;EXA:1 : <30,Ph,{1,5}:/F,@4,\,NH!,?O,!Ph,6:N,-5:/O!+Ph+(-3:/?F?F!F) ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cyproconazole;MW:291.8;EXA:1 : <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:1 : <-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/Cl,!Cl,@3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Simazine;MW:201.7;EXA:1 : <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dimethametryn;MW:255.4;EXA:1 : <30,Ph,{2,4,6}:N,5:/S!,1:/NH!2,3:/NH+!?!+?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dimethenamid;MW:275.8;EXA:1 : <-6,?5,{3,5}=dl,2:S,{3,5}:/_,@4,\,N,!,?O!2,Cl,6:/?!2+O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Simetryn;MW:213.3;EXA:1 : <30,Ph,{2,4,6}:N,5:/S!,{1,3}:/NH!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dimepiperate;MW:263.4;EXA:1 : <30,Ph,@3,\,??,!S!,?O!,?6,-6:N ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Diazinon;MW:304.35;EXA:1 : <30,!2,O!,P,//S,/O!2^160>rl,!O!,|,Ph,{4,6}:N,5:/_,3:/?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Thiobencarb;MW:257.776;EXA:1 : <30,Ph,1:/Cl,@4,\,!S!,?O!,N?2,!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Thiometon;MW:246.34;EXA:1 : <-30,!O!,P,//S,/O!^160,!,S!3,S!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Thifluzamide;MW:528.08;EXA:1 : <-12,?5,{3,5}=dl,2:S,5:N,3:/?F?F!F,1:/_, @4,\,?O,!NH!,<6,Ph,{-5,-1}:/Br,-3:/O!+?F?F!F ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dieldrin;MW:380.895;EXA:1 : <30,?6`1.2,3=?6,6=dl,9=?3,-1:O,@2,148~wf`1.4,&5~wb, @7,*\^145`1.3,&10~zb,{1,2,5,6,12^-210,12^-150}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Aldrin;MW:364.908;EXA:1 : <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:1 : <30,Ph,{1,3,4,6}:/Cl,5:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:1 : <-30,!O!,P,?O,/O!^160,!O!,/Ph+({2,4,5}:/Cl),!d,!Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Tetraconazole;MW:372.14;EXA:1 : <-6,?5,{2,5}=dl,{1,2,4}:N,@4,\,!3,O!,/F^35,/F^-35,!,?F!F,7:/Ph+({4,6}:/Cl) ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Tetradifon;MW:356.038;EXA:1 : <30,Ph,@3,\,S?O?O,!Ph,{6,10,11,13}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Thenylchlor;MW:323.835;EXA:1 : <6,?5,{2,5}=dl,4:S,2:/O!,@3,\,!,N,7:/Ph+({6,2}:/_)^-15,!,?O!2,Cl, ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Tebuconazole;MW:307.8;EXA:1 : <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:1 : <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;EXA:1 : <-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,/?F?F!F,!Cl,@3,\,?O!,O!2,|,Ph,{2,3,5,6}:/F,4:/_ ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Terbutryn;MW:241.4;EXA:1 : <30,Ph,{2,4,6}:N,5:/S!,1:/NH!2,3:/NH!+??! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Terbufos;MW:288.42;EXA:1 : <30,!2,O!,P,//S,/O!2^160>rl,!,S!2,S!,??! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Triadimefon;MW:293.8;EXA:1 : <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:1 : <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:1 : <-30,!?!,N,/?!,!,?O!,S!2,/Cl,!d,/Cl,!Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:1 : <-30,!O!,P,?O,/O!^160,!O!,/Ph+({2,4}:/Cl)`1,!d,!Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Trifluralin;MW:335.3;EXA:1 : <30,Ph,{1,3}:/NO2,5:/?F?F!F,@2,\,N,/!2,!3 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Napropamide;MW:271.4;EXA:1 : <-30,Ph,4=Ph,@10,\,O!,?!,?O!,N?2,!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:- : <30,Ph,5:/NO2,{1,3}:/?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+(3:/?F?F!F) ; %------------------------------------------------------------------------------ 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:Picolinafen;MW:376.331;EXA:- : <30,Ph,5:/?F?F!F,@3,\,O,!Ph,-5:N,@-4,\,?O,!NH!,Ph,-3:/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:/?O!+O!,-3:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:- : <-30,?3,{2^-35,2'^35}:*/_, @1,\,!d,/Cl,!,?F?F!F,@3,\,?O,!O!,-60,Ph,-1:/_,-2:/Ph ; %------------------------------------------------------------------------------ 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,!2,Ph,-3:/??! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Pyridaphenthion;MW:340.34;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:Pyributicarb;MW:330.4;EXA:1 : <30,Ph,5:/??!,@3,\,?O!,S!,N?!,Ph,-5:N,-4:/O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Pyriproxyfen;MW:321.5;EXA:1 : <30,Ph,@5,\,O,!Ph,@-3,\,O!2,?!,O,-60,Ph,-5:N ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:- : <30,Ph,2:/O!+?O!,@5,\,/_,!d,N,!O!,@3,\,O!,|,Ph,{2,6}:N,{3,5}:/O! ; %------------------------------------------------------------------------------ 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:1 : <30,Ph,3=?6,10:N,9:?O,11--4=?5 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Vinclozolin;MW:286.108;EXA:1 : <36,?5,3:N,5:O,{2,4}:?O,1:/_^54,1:/!d^-30,3:/Ph+({3,5}:/Cl) ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fipronil;MW:437.2;EXA:- : <30,Ph,{2,4}:/Cl,6:/?F?F!F,@3,\, |,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,-2:/S?O+!?F?F!F ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fenomiphos;MW:303.36;EXA:- : <30,!2,O!,P,?O,/NH+!?!^160,!,O,!Ph,-4:/_,-3:/S! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fenarimol;MW:331.2;EXA:- : <30,Ph,@3,\,!Ph,{4,11}:/Cl,7:/OH^30,7:/Ph+({3,5}:N)^-30 ; %------------------------------------------------------------------------------ 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:Fenitrothion;MW:277.23;EXA:- : <-30,!O!,P,//S,/O!^160,!,O,!Ph,-4:/_,-3:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Parathion-methyl;MW:263.2;EXA:- : <-30,!O!,P,//S,/O!^160,!,O,!Ph,-3:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Parathion;MW:291.3;EXA:- : <30,!2,O!,P,//S,/O!2^160>rl,!O,!Ph,-3:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fenthion;MW:278.33;EXA:- : <-30,!O!,P,//S,/O!^160,!O!,|,Ph,3:/_,4:/S! ; %------------------------------------------------------------------------------ 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:Phenthoate;MW:320.358;EXA:- : <-30,!O!,P,//S,/O!^160,!,S,!,/Ph,!,?O!,O!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Prothyophos;MW:329.18;EXA:- : <-30,!3,O!,P,//S,/O!2^160>rl,!O!,Ph,{-5,-3}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Propaphos;MW:304.343;EXA:- : <-30,!3,O!,P,?O,/O!3^160>rl,!O!,Ph,-3:/S! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Profenofos;MW:373.6;EXA:- : <30,!2,O!,P,//S,/O!3^160>rl,!O,!Ph,-5:/Cl,-3:/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: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:/O!2^160>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Malathion;MW:330.35;EXA:- : <-30,!O!,P,//S,/O!^160,!S!,/!?O!+O!2`1,!,?O!,O!2 ; %------------------------------------------------------------------------------ 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:Mevinphos;MW:224.15;EXA:- : <-30,!O!,P,?O,/O!^160,!O,!?,!d,!,?O!,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:Cadusafos;MW:270.386;EXA:- : <-30,!2,?!,S!,P,?O,/O!2^160>rl,!,S,!?,!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dimethoate;MW:229.25;EXA:- : <-30,!O!,P,//S,/O!^160,!,S!2,?O,!NH! ; %------------------------------------------------------------------------------ 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: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,-3:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Pyrazophos;MW:373.37;EXA:- : <30,!2,O!,P,//S,/O!2^160>rl,!O!, |,?5,3=?6,{2,5,7,9}=dl,{4,5,6}:N,7:/_,-2:/?O!+O!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:EPN;MW:323.303;EXA:- : <30,!2,O!,P,//S,/Ph^170,!,O,!Ph,-3:/NO2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Anilofos;MW:367.9;EXA:- : <-30,!O!,P,//S,/O!^160,!,S,!2,?O!,N,/?!,!Ph,-3:/Cl ; %------------------------------------------------------------------------------ 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: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: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:Quinalphos;MW:298.30;EXA:- : <30,!,O!2,P,//S,/O!2^160>rl,!O!,|,Ph,3=Ph,{2,5}:N ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Chlorfenvinphos;MW:359.58;EXA:- : <30,!2,O!,P,?O,/O!2^160>rl,!O!,/Ph+({2,4}:/Cl)`1,!d,!Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:- : <-30,!O!,P,//S,/O!^160,!O,!Ph,{-5,-3}:N,-2:/_,-4:/N?2+!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Cyanophos;MW:243.22;EXA:- : <-30,!O!,P,//S,/O!^160,!,O,!Ph,-3:/CN ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Dichlofenthion;MW:315.2;EXA:- : <30,!2,O!,P,//S,/O!2^160>rl,!,O,!Ph,{-5,-3}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fenvalerate;MW:419.91;EXA:- : <30,Ph,6:/Cl,@3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O+!Ph>rl ; %------------------------------------------------------------------------------ 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!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fenpropimorph;MW:303.49;EXA:1 : <30,?6,3:N,6:O,{1,5}:*/_,@3,\,!?,!2,Ph,-3:/??! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Phthalide;MW:271.9;EXA:1 : <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,/Ph+({-1,-5}:/!)`1,!,?O!2,Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Bupirimate;MW:316.42;EXA:1 : <30,Ph,{4,6}:N,1:/_,@3,\,O!,S?O?O,!,N?!,2:/!3,5:/NH!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Buprofezin;MW:305.4;EXA:1 : <-30,?6,{1,5}:N,1:/Ph,3:S,6:?O,5:/?!,4://N+!??! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Flamprop-methyl;MW:335.8;EXA:- : <30,Ph,1:/Cl,6:/F,@3,\,N,/?O!+Ph>rl,!?!,?O,!O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fluacrypyrim;MW:426.392;EXA:1 : <30,Ph,{4,6}:N,1:/?F?F!F,5:/O+!?!,@3,\,O!2,Ph,@-1,\,|,!d,!O!,1:/?O!+O! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fluquinconazole;MW:376.2;EXA:1 : <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:1 : <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:1 : <30,Ph,@6,\,O!,/F,!,F,@3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Flutolanil;MW:323.3;EXA:1 : <30,Ph,2:/?F?F!F,@3,\,?O,!NH!,Ph,-1:/O+!?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fluvalinate;MW:502.92;EXA:1 : <30,Ph,5:/Cl,1:/?F?F!F,@4,\,NH!,/?!,!,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Flumioxazin;MW:354.337;EXA:1 : <30,Ph,6:/F,3=?6,-1:O,-4:N,-3:?O,@-4,\,!,!t, @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,/?O!2+Cl`1,!3,O!3 ; %------------------------------------------------------------------------------ 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:Propachlor;MW:211.689;EXA:- : <30,Ph,@3,\,N,/?!,!,?O!2,Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Propazine;MW:229.7;EXA:1 : <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:Propyzamide;MW:256.1;EXA:1 : <30,Ph,{1,5}:/Cl,@3,\,?O,!NH,!??!,!t ; %------------------------------------------------------------------------------ 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:*/!4^-12,4:/*!?O!+O!3 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Bromacil;MW:261.119;EXA:1 : <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: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,{-3,-1}:/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,/Ph+({-5,-1}:/_),!?!,?O,!O! ; %------------------------------------------------------------------------------ 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:1 : <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,\,!d,/Cl,!Cl,@3,\,?O!,O!2,Ph,-4:/O!+Ph>rl ; %------------------------------------------------------------------------------ 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:1 : <30,Ph,{1,3}:/NO2,5:/?F?F!F,2:/N?2+!4 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Benfuresate;MW:256.3;EXA:1 : <30,Ph,3=?5,7:O,9:??,@6,\,O!,S?O?O,!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Bensulide;MW:397.5;EXA:1 : <30,!?!,O!,P,//S,/O+!?!^160>rl,!,S!3,NH!,S?O?O,!Ph ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Myclobutanil;MW:288.8;EXA:- : <36,?5,{1,4}=dl,{1,3,5}:N,@3,30,!,/CN^30,/Ph+(4:/Cl)^-30,!4 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Methoxychlor;MW:345.644;EXA:- : <30,Ph,@3,\,!Ph,{6,11}:/O!,7:/?Cl?Cl!Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Metolachlor;MW:283.8;EXA:- : <30,Ph,5:/!,3:/_,@4,\,N,/?!2+O!,!,?O!2,Cl ; %------------------------------------------------------------------------------ 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}:/?O!+O!2,@4,-24,Ph,{-3,-1}:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Mepronil;MW:269.3;EXA:- : <30,Ph,2:/_,@3,\,?O,!NH!,Ph,-2:/O+!?! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Molinate;MW:187.3;EXA:1 : <47,?7,3:N,@3,\,?O!,S!2 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Resmethrin;MW:338.4;EXA:1 : <-30,?3,{2^-35,2'^35}:*/_,@1,\,!d,?!,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:Halfenprox;MW:477.4;EXA:1 : <30,Ph,@6,\,O!,/F^35,/F^-35,!,Br,@3,\,!??!,O!2,Ph,-2:/O!+Ph>rl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Paraquat;MW:257.16;EXA:1 : Ph,@4,\,Ph,{1,10}:N?,1:p_^-90,10:p_^90,@1,@(0,1.2),Cl,n_^15, @10,@(0,1.2),Cl,n_^15 ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Oxine-Copper;MW:351.852;EXA:1 : Ph,4:N,5=Ph,@-4,\,O,-60,<90,Cu,-90,O,60,Ph,-2=Ph,10:N,@4,&12~vf,@23,&12~vf ; %------------------------------------------------------------------------------ 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;EXA:1 : <30,Ph,6:/Cl,@3,\,!d,!,/OH,!??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N ; %****************************************************************************** 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,{1:3}:N,6:?O ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Azoxystorbin;MW:403.394;EXA:1 : <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,!,??,!,!d,N,!O!,?O,!NH! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Aldoxycarb;MW:222.3;EXA:- : <30,!,?O,!NH!,O!,N,!d,!,??,!,S?O?O,! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Isoxaflutole;MW:359.319;EXA:- : <30,Ph,6:/?F?F!F,@4,\,S?O?O,!,@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:1 : <-30,!,/Ph+({4,6}:/Cl),!,O!2,!d,@1,60,|,?5,{2,4}=dl,{1,3}:N ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Imidacloprid;MW:255.662;EXA:1 : <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,-2:/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:/?O!+O!, @12,\,?O!,N,/?O!+O!,!Ph,-3:/O!+?F?F!F ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Oxamyl;MW:219.3;EXA:- : <-30,!,N?!,?O!,/S!,!d,N,!O!,?O!,NH! ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Oryzalin;MW:346.4;EXA:- : <30,Ph,{1,3}:/NO2,5:/S?O?O+!NH2,2:/N?2+!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^-35,2'^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,-1:/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:1 : <6,?5,{3,5}=dl,2:S,5:N,1:/Cl,@3,\,!NH!,/NH!,!d,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,{-4,-3}:/_ ; %------------------------------------------------------------------------------ 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,\,S?O?O,!,N?!,5:/Ph+(4:/_) ; %------------------------------------------------------------------------------ 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:/?F?F!F,{1,2}:/F,@3,\,!NH!,?O!2,Ph,@-10,\\,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,??!,7:/Ph+(4:/F)^-30, ; %------------------------------------------------------------------------------ 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!,!d`1,/Ph+(4:/Cl),!,|,Ph,{4,5}:/O! ; %------------------------------------------------------------------------------ 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:Di-allate;MW:270.212;EXA:- : <-30,!?!,N,!,?O!,S,!2,!d,!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,{-4,-2}:/_ ; %------------------------------------------------------------------------------ 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,-2:/O!+?F?F!F ; %------------------------------------------------------------------------------ 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!,?F?F!F ; %------------------------------------------------------------------------------ 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!,!?O,!O! ; %------------------------------------------------------------------------------ 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,\,/_,!d,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:/*Ph ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fenpyroximate;MW:421.49;EXA:- : <-6,?5,{3,5}=db,{1,2}:N,{2,5}:/_,@3,-15,O,!Ph, @4,\,!d,N!,O!2,Ph,@-3,\,?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,6:/?F?F!F, 3:/Ph+(4:/Cl),@-2,\,?O,!O!,??,!,?O!,O!2,!d ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Flufenacet;MW:363.331;EXA:- : <6,?5,{2,5}=dl,{1,2}:N,4:S,5:/?F?F!F,@3,\,O!,-60,?O!,N,/?!,!Ph,-3:/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,-3:/?F?F!F,-1:/Cl ; %------------------------------------------------------------------------------ CAT:pesticide;EN:Fluridone;MW:329.3;EXA:- : <30,?6,{3,6}=dl,2:N,2:/_,5:?O,@4,\,Ph,-4:/?F?F!F,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,@-3,\,O,!?!,?O,!O,!3,O!,N,!dr,?! ; %------------------------------------------------------------------------------ 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+(4:/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+(4:/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,{-4,-2}:/_ ; %------------------------------------------------------------------------------ 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:/?F?F!F,@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,!,?F?F!F ; %****************************************************************************** CAT:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,?O! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!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,\,S?O?O,!NH!,Ph,{-5,-1}: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:239.29;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,\,S?O?O,!NH!,Ph,-1:N ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Marbofloxacin;MW:362.361;EXA:- : <30,Ph,{3,2--7}=?6,9=dl,6:/F,{7,13}:N,11:O,9:/COOH,10:?O,13:/_, 1:/?6+(1:N)+(4:N?) ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfamerazine;MW:264.303;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,Ph,{-5,-1}:N,-4:/_ ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Trimethoprim;MW:290.323;EXA:- : <30,Ph,{1,5}:N,{2,6}:/NH2,3:/!Ph+({4,5,6}:/O!) ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Ofloxacin;MW:361.373;EXA:- : <30,Ph,{3,2--7}=?6,9=dl,7:N,11:O, 6:/F,9:/COOH,10:?O,13:/_,1:/?6+(1:N)+(4:N?) ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:- : <30,Ph,3=?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,3=?6,9=dl,7:N,6:/F,7:/?3,9:/COOH,10:?O,1:/?6+(1:N)+(4:N?2) ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Danofloxacin;MW:357.385;EXA:- : <30,Ph,3=?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,\,S?O?O,!NH!,|,Ph,{2,4}:N,{3,5}:/_ ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Orbifloxacin;MW:395.382;EXA:- : <30,Ph,3=?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,\,S?O?O,!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+(4:/F) ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Difloxacin;MW:399.398;EXA:- : <30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10:?O,7:/Ph+(4:/F),1:/?6+(1:N)+(4:N?) ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfamonomethoxine;MW:280.302;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,|,Ph,{2,4}:N,3:/O! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,|,Ph,{5,6}:N,4:/Cl ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,|,Ph,{4,6}:N,{2,3}:/O! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,|,?5,{2,5}=dl,4:O,5:N,3:/_ ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Pirimethamin;MW:248.714;EXA:- : <30,Ph,6:/Cl,@3,\,Ph,{-2,-4}:N,-1:/!,{-3,-5}:/NH2 ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Oxibendazole;MW:249.27;EXA:- : <30,Ph,3=?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,\,S?O?O,!NH!,?O,!Ph ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Ethopabate;MW:237.255;EXA:- : <30,Ph,1:/NH!+?O!,3:/O!2,4:/?O!+O! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfadimethoxine;MW:310.33;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,|,Ph,{2,4}:N,{3,5}:/O! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:- : <30,Ph,1:/NH2,@4,\,S?O?O,!NH!,Ph,-4=Ph,{-5,-2}: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,3=?5,9=dl,7:NH,9:N,@1,\,O,!Ph,8:/NH!+?O!+O! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Flumequine;MW:261.225;EXA:- : <30,Ph,{3,2--7}=?6,9=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,\,S?O?O,!NH!,Ph,-3:/NO2 ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Xylazine;MW:220.334;EXA:- : <30,?6,3=dl,2:S,4:N,@3,\,NH!,Ph,{-5,-1}:/_ ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Famphur;MW:325.3;EXA:- : <-30,!O!,P,//S,/O!^160,!,O,!Ph,-3:/S?O?O!+N?! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Lincomycin;MW:406.54;EXA:1 : <6,?5,5:N,5:*/_,2:*/!2, @3,\*,?O,!NH!,!wb,?6,-1:O,{-3',-4,-5}:*/OH,-2:/*S!,8:/?!+OH^-30>lr ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:2-acethylamino-5-nitrothiazole;MW:187.178;EXA:- : <18,?5,{2,5}=dl,2:N,4:S,3:/NH!+?O!,5:/NO2 ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Chlorsulon;MW:380.66;EXA:- : <30,Ph,6:/NH2,{1,3}:/S?O?O+!NH2,@4,\,/Cl,60~dl,/Cl,!Cl ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Florfenicol;MW:358.21;EXA:- : <30,Ph,1:/S?O?O!,@4,\,/OH,!,/!F,!NH!,?O!,/Cl,!Cl ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Thiamphenicol;MW:356.22;EXA:- : <30,Ph,1:/S?O?O!,@4,\,/OH,!,/!OH,!`1.1,NH,!`1.1,?O!,/Cl,!Cl ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:- : <30,Ph,{1,3}:/Cl,6:/O!2+!t,@4,\,|,?5,2=dl,{1,2}:N,4:O,5:?O,3:/??! ; %------------------------------------------------------------------------------ CAT:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:- : <30,?6,6=dl,4:N,2:O,1:/_,5:?O,6:/Ph,@4,\,??,!Ph,{-4,-2}:/Cl ; %------------------------------------------------------------------------------ CAT:biological;EN:Pyrrolnitrin;MW:111;EXA:- : <30,Ph,@3,\,?5,{8,11}=db,{1,11}:/Cl,9:NH,2:/NO2, ; %****************************************************************************** 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,\,!,/*_^-40,*/OH^20,!,?O!,OH, 3=wb,11=dl,15=dr,17=wf,19=wf,38=wb,{5,7,16,24,25,33,42}:O, 32:*/H^60,10:/_,{12,31,37'}:*/_,27://_,28:/OH,{3,29}:/*OH ; %------------------------------------------------------------------------------ CAT:antibiotics;EN:Vancomycin;MW:1449.25;EXA:2 : <-30,#1,!12,{1,3,12}=zf,7=wf,60,60,Ph,@-3,\,O,!Ph,@-4,\,O,!Ph,@-3,\,&1, @7,&26,@$1,60,60,NH,60,-60,Ph,@-1,\,Ph,@-2,&4,##, {36,3^40,6,9,12}:?O,{2,5,8,11}:NH,{1,4^180,7'^-60,10'^60,14'^60,35^-60}:*/H, {41,43,46}:/OH,{14,35'}:*/OH,{17,34^15}:/Cl,38^180:*/COOH, @10,*\^-60,60,?O!,NH2,@13,*\,NH!,?O!,/??!,*/H^60,!z,NH!, @23,\,O,!z,|,?6`.7,2:O,3^10:*/!OH,{4',5}:*/OH, @-1,\*,O,!wb,|,?6`.7,6:O,{3'^35,5}:*/_,3^-35:/NH2,4:/*OH, ; %------------------------------------------------------------------------------ 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, @-2,\,?6,-3=?6,-3=?7,{-3,-3}=?6,-3=?8,-3=dl,{-5,-3,-3,-3}=?6, {5,7,15,16,23,24,32,40,41,48,49,58,59,72,73,82,83,90,91,99, 100,107,113,114,122,123,130,131,140,141,148,149}:O, {1^60,2,26,28,29,51,54,61,63,68,75^60,78,109}:*/OH, {11,20,35,45,52,55,65,69,86}:/*OH, {3,8,13,17,21,33,38,42,56,70,84,92,101,106,111,128,138,142,146,150}:/*H^-60, {4,14,22,34,39,43,47',57',71',81,89,98,102,116,121,125,129,133}:*/H^60, {6,46,50,53,60,67,74}:*/H^-60, {9,18,85,93,112,139,143,147}:*/_^60`1,{80,88,97,108',115,120,124}:/*_^-60`1, @$6,\,|,!11,60~dr,-60,60,OH,{2',7,10}:*/OH,{1,3,8'}:*/_,11://_,12:/_, @6,\,O,30,SO3Na, @$36,-45~zf,O,30,SO3Na, @$150,\,|,!7,{1,2}:/*OH,4:*/_,5:/*_,7=dl ; %------------------------------------------------------------------------------