texlive[72816] Master/texmf-dist/doc/metapost/mcf2graph: mcf2graph
commits+karl at tug.org
commits+karl at tug.org
Mon Nov 11 17:52:32 CET 2024
Revision: 72816
https://tug.org/svn/texlive?view=revision&revision=72816
Author: karl
Date: 2024-11-11 17:52:32 +0100 (Mon, 11 Nov 2024)
Log Message:
-----------
mcf2graph (10nov24)
Modified Paths:
--------------
trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,6 +1,19 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2024-02-25
+ Changelog of mcf2graph software package by Akira Yamaji 2024-11-10
*******************************************************************************
+[ver. 5.13 / 2024-11-10]
+ -add binary operator '
+ a ' b : {a,b} or ''(a,b)
+ -delete binary operator +
+ -change command name
+ '() => ''()
+ ''() => '`()
+ -change syntax of group angle
+ >'(..) => >{..}
+ -update mcf2graph.mp
+ -update main_lib.mcf
+ -update MCF manual,example
+
[ver. 5.12 / 2024-02-25]
-add command `(),``()
define group "string"
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/README
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/README 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with MetaPost
Author : Akira Yamaji
- version : 5.12 2024-02-25
+ version : 5.13 2024-11-10
E-mail : mcf2graph at gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -44,7 +44,7 @@
(9) >mpost -s ahlength=7 filename.mp => output report file
4. License
- mcf2graph ver 5.12 Copyright (c) 2013-2024 Akira Yamaji
+ mcf2graph ver 5.13 Copyright (c) 2013-2024 Akira Yamaji
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/main_lib.mcf 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular library file main_lib.mcf by Akira Yamaji 2024.01.25
+% molecular library file main_lib.mcf by Akira Yamaji 2024.11.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.12
+% must use version 5.13
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
@@ -16,7 +16,7 @@
=
sw_frame:=Atom;
:
-<30,?6,3=?5,{1,3,5,9}=db,{2,6,9}:N,5:/NH2,7:NH
+<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));
@@ -29,27 +29,27 @@
%==============================================================================
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
+<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
+<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
+<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:/_
+<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
+<30,?6,6=db,3'5:?O,2'4:NH
;
%== Amino acid ================================================================
CAT:biological;EN:Glycine;MW:75.07;EXA:-
@@ -79,7 +79,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Isoleucine;MW:131.16;EXA:-
:
-<30,NH2,!wb,/?z+!2,!COOH
+<30,NH2,!wb,/?z'!2,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Serine;MW:105.09;EXA:-
@@ -89,7 +89,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Threonine;MW:119.12;EXA:-
:
-<30,NH2,!wb,/?+!w+OH,!COOH
+<30,NH2,!wb,/?'!w'OH,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Cysteine;MW:121.16;EXA:-
@@ -99,7 +99,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Methionine;MW:149.21;EXA:-
:
-<30,NH2,!wb,/!2+S!,!COOH
+<30,NH2,!wb,/!2'S!,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Phenylalanine;MW:165.19;EXA:-
@@ -109,7 +109,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Tyrosine;MW:181.19;EXA:-
:
-<30,NH2,!wb,/!Ph+(5:/OH),!COOH
+<30,NH2,!wb,/!Ph'(5:/OH),!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Triptophan;MW:204.21;EXA:-
@@ -129,7 +129,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Asparagine;MW:132.12;EXA:-
:
-<30,NH2,!wb,/!?O!+NH2,!COOH
+<30,NH2,!wb,/!?O!'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Aspartic acid;MW:133.10;EXA:-
@@ -139,12 +139,12 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Glutamic acid;MW:147.13;EXA:-
:
-<30,NH2,!wb,/!2+COOH,!COOH
+<30,NH2,!wb,/!2'COOH,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Lysine;MW:146.19;EXA:-
:
-<30,NH2,!wb,/!4+NH2,!COOH
+<30,NH2,!wb,/!4'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:L-Arginine;MW:174.21;EXA:-
@@ -154,22 +154,22 @@
%------------------------------------------------------------------------------
CAT:biological;EN:L-Hystidine;MW:155.16;EXA:-
:
-<30,NH2,!wb,!COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH
+<30,NH2,!wb,!COOH, at 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
+<30,NH2,!wb,/!Ph'(4'5:/OH),!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Ornithine;MW:132.16;EXA:-
:
-<30,NH2,!wb,/!3+NH2,!COOH
+<30,NH2,!wb,/!3'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Citrulline;MW:175.2;EXA:-
:
-<30,NH2,!wb,/!3+NH!+?O!+NH2,!COOH
+<30,NH2,!wb,/!3'NH!'?O!'NH2,!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:GABA;MW:103.12;EXA:-
@@ -224,7 +224,7 @@
%==============================================================================
CAT:biological;EN:Glucose 1;MW:180.16;EXA:1
:
-<30,?6,5:O,2:*/OH,{1,3}:/*OH,4:*/*OH,6:*/!OH
+<30,?6,5:O,2:*/OH,1'3:/*OH,4:*/*OH,6:*/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glucose 2;MW:180.16;EXA:1
@@ -284,7 +284,7 @@
%------------------------------------------------------------------------------
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^$90:/!OH
+hexose_hp,#.5,{1^$-90,2^$90,4^$-90}:/OH,3^$-90>lr:/NH!'?O!,6^$90:/!OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glucuronic acid;MW:194.14;EXA:1
@@ -330,7 +330,7 @@
%==============================================================================
CAT:biological;EN:Geraniol;MW:154.25;EXA:1
:
-<30,!8,OH,{2,6}=dr,{2,6}:/_
+<30,!8,OH,2'6=dr,2'6:/_
;
%------------------------------------------------------------------------------
CAT:biological;EN:Limonene;MW:136.24;EXA:-
@@ -355,7 +355,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Gallic acid;MW:170.12;EXA:-
:
-<30,Ph,3:/COOH,{1,5,6}:/OH
+<30,Ph,3:/COOH,1'5'6:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Salicylic acid;MW:138.12;EXA:-
@@ -365,17 +365,17 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Cinnamic acid;MW:148.16;EXA:-
:
-<30,Ph,3:/!dr+!COOH
+<30,Ph,3:/!dr'!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cinnamaldehyde;MW:132.16;EXA:-
:
-<30,Ph,3:/!dr+!CHO
+<30,Ph,3:/!dr'!CHO
;
%------------------------------------------------------------------------------
CAT:biological;EN:Caffeic acid;MW:180.16;EXA:1
:
-<30,Ph,{1,6}:/OH,3:/!d+!COOH
+<30,Ph,1'6:/OH,3:/!d'!COOH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Vanillin;MW:152.15;EXA:1
@@ -384,7 +384,7 @@
;
CAT:biological;EN:alfa-Terpinene;MW:136.24;EXA:-
:
-<30,?6,3:/?!,6:/_,{3,5}=db
+<30,?6,3:/?!,6:/_,3'5=db
;
%------------------------------------------------------------------------------
CAT:biological;EN:beta-Terpinene;MW:136.24;EXA:-
@@ -394,7 +394,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:gamma-Terpinene;MW:136.24;EXA:-
:
-<30,?6,3:/?!,6:/_,{3,6}=db
+<30,?6,3:/?!,6:/_,3'6=db
;
%------------------------------------------------------------------------------
CAT:biological;EN:delta-Terpinene;MW:136.24;EXA:-
@@ -404,7 +404,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Eugenol;MW:164.20;EXA:-
:
-<30,Ph,1:/OH,6:/O!,4:/!+!d
+<30,Ph,1:/OH,6:/O!,4:/!'!d
;
%------------------------------------------------------------------------------
CAT:biological;EN:Thymol;MW:150.22;EXA:-
@@ -469,7 +469,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Benzyl-benzoate;MW:212.25;EXA:-
:
-<30,Ph,4:/!O!+?O!
+<30,Ph,4:/!O!'?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Stearic acid;MW:284.48;EXA:1
@@ -479,7 +479,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Linoleic acid;MW:280.45;EXA:1
:
-<30,!5,-30,-30,!,-30,-30,!7,COOH,{6,9}=dr
+<30,!5,-30,-30,!,-30,-30,!7,COOH,6'9=dr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Sphingosine;MW:299.50;EXA:1
@@ -489,18 +489,18 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Tocopherol;MW:430.717;EXA:1
:
-<30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH, at 8,\,|,!12,{4,8}:/*_,12:/_
+<30,Ph,3=?6,7:O,1'2'5:/_,8:/*_^60,6:/OH, at 8,\,|,!12,4'8:/*_,12:/_
;
%------------------------------------------------------------------------------
CAT:biological;EN:Thiamine;MW:265.35;EXA:1
:
-<30,Ph,4:/NH2, at 3,\`1,!,<-12,?5,{-1,-4}=dl,{1,5,8}:N,11:S,{6,9}:/_,
- -3:/!2+OH^-12,8:p_^72
+<30,Ph,4:/NH2, at 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}:/_,
+<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
;
%------------------------------------------------------------------------------
@@ -511,7 +511,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Nicotinamide;MW:122.12;EXA:1
:
-<30,Ph,2:N,4:/?O+!NH2
+<30,Ph,2:N,4:/?O'!NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pantothenic acid;MW:219.23;EXA:1
@@ -521,17 +521,17 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Pyridoxine;MW:169.18;EXA:1
:
-<30,Ph,2:N,3:/_,4:/OH,{5,6}:/!OH
+<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
+<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,
+<30,?6,3=Ph2,1=dl,2'7'10:N,6:NH,5:?O,1:/NH2,
@9,\,!NH!,Ph, at -3,\,?O,!NH!,/*COOH,!3,COOH
;
%------------------------------------------------------------------------------
@@ -538,22 +538,22 @@
CAT:biological;EN:Carotene;MW:536.8726;EXA:1
:
<30,?6, at 4,\,!18,?6,
- {8,10,12,14,16,18,20,22,24}=dr,{5,9,13,18,22,-5}:/_,{4,-6}=dl,{3,-1}:??
+ {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, at 4,\,*/OH,!2,NH!
+<30,Ph,1'6:/OH, at 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?
+<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?)
+<30,Ph,2:N,4:/?5'(2:N?)
;
%------------------------------------------------------------------------------
CAT:biological;EN:Capsaicin;MW:305.418;EXA:1
@@ -564,18 +564,18 @@
CAT:biological;EN:Gibberellin A3;MW:346.379;EXA:1
:
<18,?5,3=?7,5=?6[12], at 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
+ @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, at -1,17,/*_,!4,?!
+<30,?6,-4'-2=?6,-4=?5,7=dl,
+ 1:*/OH,4'12:*/_^60,{9'^60,10^180,11^-60,-1^-60}:/*H, at -1,17,/*_,!4,?!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Resveratrol;MW:228.24;EXA:1
:
-<30,Ph, at 4,\,!d,!Ph,{2,6,-3}:/OH
+<30,Ph, at 4,\,!d,!Ph,2'6'-3:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Glutathione;MW:307.33;EXA:1
@@ -585,12 +585,12 @@
%------------------------------------------------------------------------------
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
+<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, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH
+<30,Ph,3=?5, at 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
@@ -597,49 +597,49 @@
:
<-36,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5, at 6,22,70,&8,##,
{4,6,8,10,14,16,18,21,23,27}=dl, at 4,\`1.48~vf,Mg,&17~vb, at 11,&27, at 27,&23,
- {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!d,25:/*?O!+O!,26:?O,
+ {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
+<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, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}:?O
+<30,Ph,3=?5, at -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, at -2,\\,?5,-3=Ph2,{7,14}:NH,{9,11}:?O,{1,-2}:/Br
+<30,Ph,3=?5, at -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,
+<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, at 3,\,!7,Ph,{8,13}=dr,{9,11}:?O,{6,-3}:/OH,{5,-4}:/O!
+<30,Ph, at 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
+<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)
+<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)
+<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
@@ -687,8 +687,8 @@
%------------------------------------------------------------------------------
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!
+<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
@@ -698,12 +698,12 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Piperine;MW:285.343;EXA:1
:
-<30,Ph,-1=?5,{-1,-3}:O, at 4,\,!d,!,!d,!,?O!,?6,-6:N
+<30,Ph,-1=?5,-1'-3:O, at 4,\,!d,!,!d,!,?O!,?6,-6:N
;
%------------------------------------------------------------------------------
CAT:biological;EN:Febrifugine;MW:301.34;EXA:1
:
-<30,Ph,3=?6, at 9,8=dl,\,!2,!zb,?6,{7,9}:N,-5:NH,{10,12}:?O,-1:*/OH
+<30,Ph,3=?6, at 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
@@ -710,7 +710,7 @@
:
<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
+ 7'25:?O,13'26:/_,{2,6,11,21,23,28}:/OH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Camphor;MW:152.23;EXA:1
@@ -725,14 +725,14 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Mitomycine C;MW:334.332;EXA:1
:
-<30,?6,{3,6}=dl,{2,5}:?O,1:/_,-4=?5,-3:N,
+<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
+<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
@@ -742,35 +742,35 @@
%------------------------------------------------------------------------------
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)
+<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
+<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
+ @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
+ {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}:*/_, at 1,*\,!d,?!,
- @2,\*,?O!,O,-36~zb,|,?5,-2=dl,-1:/_,-3:?O, at -2,\,!4,{-1,-3}=dl
+ @2,\*,?O!,O,-36~zb,|,?5,-2=dl,-1:/_,-3:?O, at -2,\,!4,-1'-3=dl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Oseltamivir;MW:312.40;EXA:1
:
-<30,?6,3=dl,6:*/NH2, at 1,\*,NH!,?O!, at 2,*\,O!,/!,!2,4:/?O!+O!2
+<30,?6,3=dl,6:*/NH2, at 1,\*,NH!,?O!, at 2,*\,O!,/!,!2,4:/?O!'O!2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Paclitaxel;MW:853.918;EXA:1
@@ -778,7 +778,7 @@
?6,5=dl, at 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!
+ @7,\*,O,-45,?O,60,Ph,{11>rl,12'^-15>lr}:*/O!'?O!
;
%------------------------------------------------------------------------------
CAT:biological;EN:Mevastatin;MW:390.52;EXA:1
@@ -789,8 +789,8 @@
%------------------------------------------------------------------------------
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)
+<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
@@ -812,24 +812,22 @@
%------------------------------------------------------------------------------
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!
+<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
+<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
+<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
+<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
@@ -839,7 +837,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Psilocybin;MW:284.248;EXA:1
:
-<30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,?O^-45,/OH^45,90,OH,7:/!2+N?!>lr
+<30,Ph,3=?5,8=dl,9:NH, at 2,\,O,-60,P,?O^-45,/OH^45,90,OH,7:/!2'N?!>lr
;
%------------------------------------------------------------------------------
CAT:biological;EN:Tetrodotoxine;MW:319.27;EXA:1
@@ -851,38 +849,37 @@
%------------------------------------------------------------------------------
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
+<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
+<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
+<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
+<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
+<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
+<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
@@ -899,7 +896,7 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Patulin;MW:154.12;EXA:1
:
-<30,?6,3=?5,{2,10}=dl,{6,7}:O,5:/OH,8:?O
+<30,?6,3=?5,2'10=dl,6'7:O,5:/OH,8:?O
;
%------------------------------------------------------------------------------
CAT:biological;EN:Citrinin;MW:250.247;EXA:1
@@ -909,33 +906,33 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Zearalenone;MW:318.364;EXA:1
:
-<30,Ph, at 3,#1,\,!5,60,60,!4,&4,##,{1,5,8}=dl,17:O,16:*/_,{1,5}:/OH,{12,18}:?O
+<30,Ph, at 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, at 6,*\,O!,?O!2,/COOH,!2,COOH, at 7,\*`1.2,O!,?O!2,/COOH,!2,COOH,
- {5,9}:/*_,{11,16,18'}:*/OH,19:/*NH2
+ 5'9:/*_,{11,16,18'}:*/OH,19:/*NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Dicumarol;MW:336.295;EXA:-
:
-<30,Ph,3=?6, at 8,\`1.5,!`1.5,?6,-4=Ph2,{8,14}=db,{10,16}:O,{9,17}:?O,{7,13}:/OH
+<30,Ph,3=?6, at 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, at 5,\,O,!2,!d,/_,!3,/OH,!,??,!OH
+<30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O, at 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, at 5,\,O,!2,!d,/_,!3,!d,?!
+<30,Ph,3=?6,6=?5,10'13=db,7'13:O,8:?O, at 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, at 8,\,/*OH,!2,!d,?!
+<30,Ph,3=?6,9=db,2'5:/OH,7'10:?O, at 8,\,/*OH,!2,!d,?!
;
%==============================================================================
CAT:synthetic;EN:Benzene;MW:78.11;EXA:-
@@ -955,7 +952,7 @@
%------------------------------------------------------------------------------
CAT:synthetic;EN:Picric acid;MW:229.10;EXA:-
:
-<30,Ph,{1,3,5}:/NO2,2:/OH
+<30,Ph,1'3'5:/NO2,2:/OH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1
@@ -970,27 +967,27 @@
%------------------------------------------------------------------------------
CAT:synthetic;EN:Anthracene;MW:178.23;EXA:1
:
-<30,Ph,{3,6}=Ph
+<30,Ph,3'6=Ph
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Phenanthrene;MW:178.23;EXA:1
:
-<30,Ph,{4,6}=Ph
+<30,Ph,4'6=Ph
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Naphthacene;MW:228.3;EXA:1
:
-<30,Ph,{6,3,-3}=Ph
+<30,Ph,6'3'-3=Ph
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Chrysene;MW:228.3;EXA:1
:
-<30,Ph2,{6,4,-4}=Ph
+<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
+<30,Ph2,6'4=Ph,16---7=?6,-2=dl
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Coronene;MW:300.35;EXA:1
@@ -1022,12 +1019,12 @@
CAT:synthetic;EN:Porphyrin;MW:310.4;EXA:1
:
<9,#1,?5, at 3,\,54,?5, at -2,\,54,?5, at -2,\,54,?5, at -2,\,&5,##,
- {1,4,6,8,10,14,16,18,21,23,27}=dl,{4,17}:N,{11,23}:NH
+ {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, at 11,30`1.15,&12, at 14,30`1.15,&15,
+<67.5,?8,1'3'5'7=?5, at 11,30`1.15,&12, at 14,30`1.15,&15,
@17,30`1.15,&18, at 20,30`1.15,&9,{9,12,13,16,17,20,21,24}=dl,
{10,13,16,19,21,22,23,24}:S
;
@@ -1034,7 +1031,7 @@
%------------------------------------------------------------------------------
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)
+<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
@@ -1044,28 +1041,28 @@
%==============================================================================
CAT:synthetic;EN:Tartrazine;MW:534.3;EXA:1
:
-<30,Ph,1:/SO3Na, at 4,\,N,!d,N,!,<-12,?5,{-2,-5}=dl,{-2,-3}:N,-1:/COONa,-4:/OH,
- -3:/Ph+(4:/SO3Na)
+<30,Ph,1:/SO3Na, at 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, at 4,\,N,!d,N,!Ph,-3:/NH!+?O!
+<30,Ph,2:/_,5:/OH, at 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, at 4,\,N,!d,N,!Ph, at -3,\,N,/!2+CN,!2,O!,?O,!O!
+<30,Ph,1:/NO2,3'5:/Cl, at 4,\,N,!d,N,!Ph, at -3,\,N,/!2'CN,!3,?O,!O!
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Disperse red 65;MW:371.82;EXA:1
:
-<30,Ph,1:/NO2,3:/Cl, at 4,\,N,!d,N,!Ph,-1:/_, at -3,\,N,/!2+CN,!2
+<30,Ph,1:/NO2,3:/Cl, at 4,\,N,!d,N,!Ph,-1:/_, at -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, at 7,\,Ph,-1:/COOH,6:/OH
+<30,Ph,3'9=?6,8'13'16=dl,10:O,-2:?O,1'5'12'14:/I, at 7,\,Ph,-1:/COOH,6:/OH
;
%------------------------------------------------------------------------------
CAT:synthetic;EN:Sudan red 1;MW:248.28;EXA:1
@@ -1075,27 +1072,27 @@
%------------------------------------------------------------------------------
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_, at 2,@(3.5,1.5),Cl,n_^15
+<30,Ph,3=Ph,6=Ph,2:S,5:N,8'13:/N?!,2:p_, at 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!
+<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
+<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
+<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, at 8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}:?O
+<30,Ph,3=?5, at 8,\\,?5,-3=dr,-3=Ph,7'14:NH,9'11:?O
;
%==============================================================================
CAT:antibiotics;EN:Amoxicillin;MW:365.4042;EXA:1
@@ -1137,19 +1134,19 @@
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:/_, at -1,-24,Ph
+ @4,*\^15,NH!,?O!,<-24,?5,-2'-5=dl,-2:N,-3:O,-4:/_, at -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:/_, at -1,-24,Ph,-5:/Cl
+ @4,*\^15,NH!,?O!,<-24,?5,-2'-5=dl,-2:N,-3:O,-4:/_, at -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
+ @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
@@ -1161,28 +1158,28 @@
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, at 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
+ @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
+ @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,
+ @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, at 5,\*,?O!,O,n_^40,
- @4,*\^15,NH!,?O!,//N!+O!,!,?5,{-2,-5}=dl,-3:S,-1:N,-2:/NH2,
+ @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
;
%------------------------------------------------------------------------------
@@ -1189,19 +1186,19 @@
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
+ @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, at 6,\,!O!,?O!,NH2
+ @4,*\^15,NH!,?O!,//N!'O!,!,?5,-1'-3=dl,-4:O, at 6,\,!O!,?O!,NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Apramycin;MW:539.58;EXA:1
:
-<30,?6,3=?6,{2,10}:O, at 1,\*,O,60~zb,?6, at 9,\*,O,-60~zb,?6,-5:O,
+<30,?6,3=?6,2'10:O, at 1,\*,O,60~zb,?6, at 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
;
@@ -1209,13 +1206,13 @@
CAT:antibiotics;EN:Gentamycin;MW:477.596;EXA:1
:
<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\*,O,0~zb,?6,-5:O,{2,4,20'}:*/NH2,6:*/OH,
- 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:*/?!+NH!
+ 11:*/OH^-35,11:/*_^35,12:*/NH!,13:/*OH,17:*/?!'NH!
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Kanamycin;MW:484.499;EXA:1
:
<-30,?6, at 1,\*,O,0~zb,?6,-5:O, at 5,\,O,0,?6,-5:O,
- {2,4,12}:*/NH2,{6',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2
+ 2'4'12:*/NH2,{6',11,13,18,19',20}:/*OH,10:*/!OH,17:*/!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Neomycin;MW:614.644;EXA:1
@@ -1230,7 +1227,7 @@
:
<54,?5,3:O,4:/*_,5:/OH^45, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
5:/!dO^-48,{10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,
- {17^-18,19}:*/NH!+?NH+!NH2
+ {17^-18,19}:*/NH!'?NH'!NH2
;
%------------------------------------------------------------------------------
CAT:antibiotics;EN:Streptmycin-H2O;MW:599.574;EXA:-
@@ -1237,19 +1234,19 @@
:
<54,?5,3:O,4:/*_,5:/OH^60, at 1,\*,O,-24~wb,?6,-5:O, at 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
+ {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, at 1,\*,O,-24~wb,?6,-5:O, at 2,*\,O,24~zb,?6,
- {10,11',15,16',18'}:*/OH,9:/*!OH,12:*/NH!,{17^-18,19}:*/NH!+?NH+!NH2
+ {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!
+<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
@@ -1261,7 +1258,7 @@
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,
+ {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}:/*_,##,
@@ -1270,15 +1267,15 @@
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,
+ 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,##,
+ @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,
+ {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,/_,!,
@@ -1287,7 +1284,7 @@
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,
+ {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,
@@ -1296,7 +1293,7 @@
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}:/*_,
+ 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?!
@@ -1306,8 +1303,8 @@
:
<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, at -2,?6,-6=wf,-1=zb,-5=dl,
- {-1,-6}:O,-3:*/_, at -2,\,*/_,!2,
+ -1'-3'-7=dl,-11--(-10)=?6, at -2,?6,-6=wf,-1=zb,-5=dl,
+ -1'-6:O,-3:*/_, at -2,\,*/_,!2,
17:/_,19:/*_, at 18,\,O!,?6`.7,-1:O,#.5,-2:*/_,-4:*/O!,##,
@-3,\,O,60,?6`.7,-5:O,#.5,-4:*/_,-3:/*NH!,-2:*/O!
;
@@ -1333,8 +1330,8 @@
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!,##,
+ {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}:/*_,##,
;
@@ -1342,10 +1339,10 @@
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}:*/_
+ {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
@@ -1352,32 +1349,32 @@
:
<-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!
+ 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
+<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
+<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
+<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
+<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
@@ -1389,10 +1386,10 @@
%------------------------------------------------------------------------------
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,
+<30,Ph,6:/_^30,5:/OH,-6=?5,-3:O,-8=?6,-2'-4=dl,-1'-4:/OH,
#1, at -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}:/*_,
+ ||,9'15:?O,16:/_,{20,24^30}:*/_,21'23:/*OH,{8^60,22,26^30}:/*_,
-4:/*O!, at -6,-30,O!,?O!,@$11,\,!d,N,!,|,?6,1:N,4:N?
;
%==============================================================================
@@ -1423,53 +1420,53 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:XMC;MW:179.2;EXA:-
:
-<30,Ph,{1,5}:/_, at 3,\,O!,?O!,NH!
+<30,Ph,1'5:/_, at 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, at 3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+ @1,\,!d,!,?O,!O!,/?F?F!F,!,?F?F!F, at 3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Azaconazole;MW:300.139;EXA:1
:
-<30,Ph,{4,6}:/Cl, at 3,\,!2,?5,{-2,-4}=dl,{-2,-4,-5}:N, at 7,?5,{-1,-4}:O
+<30,Ph,4'6:/Cl, at 3,\,!2,?5,-2'-4=dl,-2'-4'-5:N, at 7,?5,-1'-4:O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Acetochlor;MW:269.769;EXA:1
:
-<30,Ph,2:/_,4:/!, at 3,\,N,/?O!2+Cl,!2,O!2
+<30,Ph,2:/_,4:/!, at 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+!?!
+<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
+<-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!
+<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,!?!
+<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
+<30,!?!,O!,P,?O,/O'!?!^170,!,S,!2,Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Uninnazole-P;MW:291.779;EXA:1
:
-<30,Ph,6:/Cl, at 3,\,!d,!,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,6:/Cl, at 3,\,!d,!,/OH,!,??!, at 8,\,|,?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Esprocarb;MW:265.4;EXA:1
@@ -1479,7 +1476,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethalfluralin;MW:333.3;EXA:1
:
-<30,Ph,{1,3}:/NO2,5:/?F?F!F, at 2,\`1.1,/!,N,!2,/_,!d
+<30,Ph,1'3:/NO2,5:/?F?F!F, at 2,\`1.1,/!,N,!2,/_,!d
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethofenprox;MW:376.5;EXA:1
@@ -1495,12 +1492,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxadiazon;MW:345.2;EXA:1
:
-<30,Ph,{4,6}:/Cl,1:/O+!?!, at 3,\,|,?5,2=dl,{1,2}:N,4:O,5:?O,3:/??!
+<30,Ph,4'6:/Cl,1:/O'!?!, at 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}:/_, at 3,\,N,!1,?O!2,O!, at 7,\,|,?5,1:N,2:O,5:?O
+<30,Ph,2'4:/_, at 3,\,N,!1,?O!2,O!, at 7,\,|,?5,1:N,2:O,5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oxyfluorfen;MW:361.701;EXA:1
@@ -1510,13 +1507,13 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cafenstrole;MW:350.4;EXA:1
:
-<30,Ph,{2,4,6}:/_, at 3,\,S?O?O,!,|,?5,{2,5}=dl,{2,4,5}:N,-2:/?O!+N?2+!2
+<30,Ph,2'4'6:/_, at 3,\,S?O?O,!,|,?5,2'5=dl,2'4'5:N,-2:/?O!'N?'!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carfentrazone-ethyl;MW:412.19;EXA:1
:
<30,Ph,4:/F,6:/Cl, at 1,\,!,/Cl,!,?O!,O!2,
- @3,\,|,?5,4=dl,{1,3,5}:N,-4:?O,-3:/?F!F,-2:/_
+ @3,\,|,?5,4=dl,1'3'5:N,-4:?O,-3:/?F!F,-2:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carboxin;MW:235.301;EXA:1
@@ -1526,7 +1523,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quinoxyfen;MW:308.13;EXA:1
:
-<30,Ph,4=Ph,10:N,{2,6}:/Cl, at 7,\,O,!Ph,-3:/F
+<30,Ph,4=Ph,10:N,2'6:/Cl, at 7,\,O,!Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Quitozene;MW:295.3;EXA:1
@@ -1536,7 +1533,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Kresoxim-Methyl;MW:313.348;EXA:1
:
-<30,Ph, at 3,\,/?O!+O!,!d,N,!O!, at 4,\,!,O,!Ph,-1:/_
+<30,Ph, at 3,\,/?O!'O!,!d,N,!O!, at 4,\,!,O,!Ph,-1:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomazone;MW:239.7;EXA:1
@@ -1546,12 +1543,12 @@
%------------------------------------------------------------------------------
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)
+<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, at 3,\,O!,S?O?O,!Ph,{6,12}:/Cl
+<30,Ph, at 3,\,O!,S?O?O,!Ph,6'12:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorpropham;MW:213.7;EXA:1
@@ -1561,24 +1558,23 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorbenside;MW:269.183;EXA:1
:
-<30,Ph, at 3,\,S,!2,Ph,{6,12}:/Cl
+<30,Ph, at 3,\,S,!2,Ph,6'12:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chlorobenzilate;MW:325.2;EXA:1
:
-<30,Ph, at 3,\,/OH^-35,/?O!+O!2^30>lr,!Ph,{6,11}:/Cl
+<30,Ph, at 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:/_, at 5,\,?O,60,NH!, at 4,\,NH!,?O!,<24,?5,
- {-1,-3}=db,{-3,-4}:N,-2:/Br,
+<30,Ph,1:/Cl,3:/_, at 5,\,?O,60,NH!, at 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, at 3,\,O,!Ph,{-1,-3}:N, at -4,\,O,!Ph, at -5,\,/?O!+O!,!d,!O!
+<30,Ph,2:/CN, at 3,\,O,!Ph,-1'-3:N, at -4,\,O,!Ph, at -5,\,/?O!'O!,!d,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiuram;MW:240.43;EXA:1
@@ -1588,17 +1584,17 @@
%------------------------------------------------------------------------------
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
+<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, at 3,\,NH!,?O!,?5,{-1,-4}=db,{-2,-3}:N,{-2,-4}:/_,-1:/F, at 4,\,/_,60,!?!
+<30,Ph, at 3,\,NH!,?O!,?5,-1'-4=db,-2'-3:N,-2'-4:/_,-1:/F, at 4,\,/_,60,!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:MCPA;MW:200.62;EXA:1
:
-<30,Ph,1:/Cl,5:/_,4:/O!2+COOH
+<30,Ph,1:/Cl,5:/_,4:/O!2'COOH
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Asulam;MW:230.2;EXA:1
@@ -1608,51 +1604,50 @@
%------------------------------------------------------------------------------
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!
+<-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}:/_, at 4,\,O!2,?!,NH!,Ph,{-1,-3,-5}:N,-2:/NH2,-4:/??+!F
+<30,Ph,2'6:/_, at 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
+<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, at 3,\,S?O?O,!NH!,?O,!NH!,Ph,{-2,-4}:/O!,
- 4:/?O!+O!
+<6,?5,3'5=db,1'2:N,2:/_,5:/Cl, at 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, at 1,\,?5,{-2,-4}=db,{-2,-4,-5}:N,-1:/Ph,-3:/?O!+NH2,
+<30,Ph,4:/Cl, at 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
+<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, at 4,\,NH!,?O!,O,!?!,{1,6}:/O!2
+<30,Ph, at 4,\,NH!,?O!,O,!?!,1'6:/O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diclofop-methyl;MW:341.2;EXA:1
:
-<30,Ph,{4,6}:/Cl, at 3,\,O,!Ph, at -4,\,O,!?!,?O,!O!
+<30,Ph,4'6:/Cl, at 3,\,O,!Ph, at -4,\,O,!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalothrin;MW:449.86;EXA:1
:
<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/?F?F!F,!Cl,
- @3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+ @3,\,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyhalofop-Buthyl;MW:357.381;EXA:1
@@ -1662,48 +1657,48 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diphenamid;MW:239.3;EXA:1
:
-<30,Ph, at 3,\,!Ph,-5:/?O!+N?!
+<30,Ph, at 3,\,!Ph,-5:/?O!'N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyfluthrin;MW:434.3;EXA:1
:
<-30,?3,{2^-35,2'^35}:*/_,
- @1,\,!d,/Cl,!Cl, at 3,\,?O,!O!,/CN,!Ph,-3:/F,-4:/O!+Ph>rl
+ @1,\,!d,/Cl,!Cl, at 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, at 4,\,NH!,?O,!Ph,6:N,-5:/O!+Ph+(-3:/?F?F!F)
+<30,Ph,1'5:/F, at 4,\,NH!,?O,!Ph,6:N,-5:/O!'Ph'(-3:/?F?F!F)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyproconazole;MW:291.8;EXA:1
:
-<30,?3, at 2,\,?!,/OH^30,-90,!,|,<-18,?5,{2,4}=dl,{1,3,5}:N,@$5,-30,Ph,-3:/Cl
+<30,?3, at 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}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/Cl,!Cl, at 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
+<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+!?!+?!
+<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}:/_, at 4,\,N,!,?O!2,Cl,6:/?!2+O!
+<-6,?5,3'5=dl,2:S,3'5:/_, at 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
+<30,Ph,2'4'6:N,5:/S!,1'3:/NH!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimepiperate;MW:263.4;EXA:1
@@ -1713,7 +1708,7 @@
%------------------------------------------------------------------------------
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:/?!
+<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
@@ -1728,8 +1723,8 @@
%------------------------------------------------------------------------------
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
+<-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
@@ -1740,7 +1735,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aldrin;MW:364.908;EXA:1
:
-<30,?6`1.3,3=?6,{6,9}=dl,
+<30,?6`1.3,3=?6,6'9=dl,
@2,210~wf`1.5,&5~wb, at 7,210~zf`1.5,&10~zb,{1,2,5,6,11^-210,11^-150}:/Cl
;
%------------------------------------------------------------------------------
@@ -1751,12 +1746,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetrachlorvinfos;MW:365.97;EXA:1
:
-<-30,!O!,P,?O,/O!^160,!O!,/Ph+({2,4,5}:/Cl),!d,!Cl
+<-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, at 4,\,!3,O!,/F^35,/F^-35,!,?F!F,7:/Ph+({4,6}:/Cl)
+<-6,?5,2'5=dl,1'2'4:N, at 4,\,!3,O!,/F^35,/F^-35,!,?F!F,7:/Ph'(4'6:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tetradifon;MW:356.038;EXA:1
@@ -1766,27 +1761,27 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thenylchlor;MW:323.835;EXA:1
:
-<6,?5,{2,5}=dl,4:S,2:/O!, at 3,\,!,N,7:/Ph+({6,2}:/_)^-15,!,?O!2,Cl,
+<6,?5,2'5=dl,4:S,2:/O!, at 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, at 3,30,!4,Ph,-3:/Cl,7^-30:/??!,7^30:/OH
+<36,?5,1'4=dl,1'3'5:N, at 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:/_, at 3,\,?O!,NH,!2,Ph,-3:/??!
+<6,?5,3'5=dl,1'2:N,4:/Cl,5:/!,2:/_, at 3,\,?O!,NH,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tefluthrin;MW:418.736;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/?F?F!F,!Cl, at 3,\,?O!,O!2,|,Ph,{2,3,5,6}:/F,4:/_
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/?F?F!F,!Cl, at 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!+??!
+<30,Ph,2'4'6:N,5:/S!,1:/NH!2,3:/NH!'??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Terbufos;MW:288.42;EXA:1
@@ -1796,12 +1791,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triadimefon;MW:293.8;EXA:1
:
-<30,Ph,6:/Cl, at 3,\,O!2,?O!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,6:/Cl, at 3,\,O!2,?O!,??!, at 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
+<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
@@ -1811,12 +1806,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dimethylvinphos;MW:331.52;EXA:1
:
-<-30,!O!,P,?O,/O!^160,!O!,/Ph+({2,4}:/Cl)`1,!d,!Cl
+<-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, at 2,\,N,/!2,!3
+<30,Ph,1'3:/NO2,5:/?F?F!F, at 2,\,N,/!2,!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Napropamide;MW:271.4;EXA:1
@@ -1826,17 +1821,17 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Nitrothal-isopropyl;MW:295.3;EXA:-
:
-<30,Ph,5:/NO2,{1,3}:/?O!+O!+?!
+<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)
+<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, at 3,\,!2,/OH,!,??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,6:/Cl, at 3,\,!2,/OH,!,??!, at 8,\,|,?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Picolinafen;MW:376.331;EXA:-
@@ -1846,12 +1841,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bitertanol;MW:337.4;EXA:-
:
-<30,Ph, at 3,\,Ph, at -3,\,O!2,/OH,!,??!, at 14,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph, at 3,\,Ph, at -3,\,O!2,/OH,!,??!, at 14,\,|,?5,2'4=dl,1'2'4:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bifenox;MW:342.14;EXA:-
:
-<30,Ph,{4,6}:/Cl, at 3,\,O,!Ph,-4:/?O!+O!,-3:/NO2
+<30,Ph,4'6:/Cl, at 3,\,O,!Ph,-4:/?O!'O!,-3:/NO2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bifenthrin;MW:422.88;EXA:-
@@ -1862,18 +1857,18 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraflufen-ethyl;MW:413.174;EXA:-
:
-<30,Ph,6:/Cl,4:/F, at 3,\,|,?5,{1,4}=dl,{2,3}:N,-3:/_,5:/Cl,
+<30,Ph,6:/Cl,4:/F, at 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, at -4,\,S,!2,Ph,-3:/??!
+<30,?6,2'4=dl,5'6:N,6:/??!,1:?O,2:/Cl, at -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
+<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
@@ -1888,12 +1883,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:-
:
-<30,Ph,2:/O!+?O!, at 5,\,/_,!d,N,!O!, at 3,\,O!,|,Ph,{2,6}:N,{3,5}:/O!
+<30,Ph,2:/O!'?O!, at 5,\,/_,!d,N,!O!, at 3,\,O!,|,Ph,2'6:N,3'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
:
-<30,Ph, at 3,\,NH!,|,Ph,{2,6}:N,{3,5}:/_
+<30,Ph, at 3,\,NH!,|,Ph,2'6:N,3'5:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyroquilon;MW:173.2;EXA:1
@@ -1903,23 +1898,22 @@
%------------------------------------------------------------------------------
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)
+<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, at 3,\,
- |,?5,{2,4}=dl,{1,2}:N,3:/CN,5:/NH2,-2:/S?O+!?F?F!F
+<30,Ph,2'4:/Cl,6:/?F?F!F, at 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!
+<30,!2,O!,P,?O,/NH'!?!^160,!,O,!Ph,-4:/_,-3:/S!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenarimol;MW:331.2;EXA:-
:
-<30,Ph, at 3,\,!Ph,{4,11}:/Cl,7:/OH^30,7:/Ph+({3,5}:N)^-30
+<30,Ph, at 3,\,!Ph,4'11:/Cl,7:/OH^30,7:/Ph'(3'5:N)^-30
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenothiocarb;MW:253.4;EXA:-
@@ -1929,7 +1923,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fensulfothion;MW:308.35;EXA:-
:
-<30,!2,O!,P,//S,/O!2^160>rl,!,O,!Ph,-3:/S+?O!
+<30,!2,O!,P,//S,/O!2^160>rl,!,O,!Ph,-3:/S'?O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenitrothion;MW:277.23;EXA:-
@@ -1964,7 +1958,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Prothyophos;MW:329.18;EXA:-
:
-<-30,!3,O!,P,//S,/O!2^160>rl,!O!,Ph,{-5,-3}:/Cl
+<-30,!3,O!,P,//S,/O!2^160>rl,!O!,Ph,-5'-3:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propaphos;MW:304.343;EXA:-
@@ -1979,7 +1973,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromophos;MW:365.99;EXA:-
:
-<-30,!O!, P,//S,/O!^160,!O!,|,Ph,{3,6}:/Cl,4:/Br
+<-30,!O!, P,//S,/O!^160,!O!,|,Ph,3'6:/Cl,4:/Br
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phosalone;MW:367.80;EXA:-
@@ -1989,7 +1983,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phosmet;MW:317.32;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,{2,5}:?O
+<-30,!O!,P,//S,/O!^160,!,S,!2,|,?5,3=Ph2,1:N,2'5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phorate;MW:260.4;EXA:-
@@ -1999,12 +1993,12 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Malathion;MW:330.35;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!S!,/!?O!+O!2`1,!,?O!,O!2
+<-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!
+<-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:-
@@ -2014,12 +2008,12 @@
%------------------------------------------------------------------------------
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
+<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
+<-30,!O!,P,//S,/O!^160>rl,!O!,|,Ph,6:N,2'4'5:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cadusafos;MW:270.386;EXA:-
@@ -2034,29 +2028,27 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tribufos;MW:314.50;EXA:-
:
-<30,!4,S,!,P,?O,/S+!4^160>rl,!,S,!4
+<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:/_
+<-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:/_
+<-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, at -3,-12,Ph,-3:/Cl
+<30,!2,O!,P,?O,/S!3^160>rl,!O!,<-12,|,?5,1'4=dl,3'4:N, at -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
+<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:-
@@ -2071,7 +2063,7 @@
%------------------------------------------------------------------------------
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:/?!
+<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:-
@@ -2091,22 +2083,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ethrimfos;MW:292.29;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!O!,|,Ph,{2,4}:N,5:/!,3:/O!2
+<-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
+<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
+<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
+<-30,!O!,P,//S,/O!^160,!O,!Ph,-5'-3:N,-2:/_,-4:/N?2'!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyanophos;MW:243.22;EXA:-
@@ -2116,22 +2108,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Dichlofenthion;MW:315.2;EXA:-
:
-<30,!2,O!,P,//S,/O!2^160>rl,!,O,!Ph,{-5,-3}:/Cl
+<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, at 3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O+!Ph>rl
+<30,Ph,6:/Cl, at 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}:/*_, at 3,\,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<-30,?3,{1^35,2^-35}:*/_,{1^-35,2^35}:/*_, at 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}:*/_, at 3,\,!?,!2,Ph,-3:/??!
+<30,?6,3:N,6:O,1'5:*/_, at 3,\,!?,!2,Ph,-3:/??!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phthalide;MW:271.9;EXA:1
@@ -2141,69 +2133,68 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Butachlor;MW:311.85;EXA:-
:
-<30,!4,O!2,N,/Ph+({-1,-5}:/!)`1,!,?O!2,Cl
+<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:/_, at 3,\,O!,S?O?O,!,N?!,2:/!3,5:/NH!2
+<30,Ph,4'6:N,1:/_, at 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+!??!
+<-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, at 3,\,N,/?O!+Ph>rl,!?!,?O,!O!
+<30,Ph,1:/Cl,6:/F, at 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+!?!, at 3,\,O!2,Ph, at -1,\,|,!d,!O!,1:/?O!+O!
+<30,Ph,4'6:N,1:/?F?F!F,5:/O'!?!, at 3,\,O!2,Ph, at -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, at 8,\,
- |,?5,{2,4}=dl,{1,3,5}:N,$9:/Ph+({4,6}:/Cl)
+<30,Ph,3=?6,8=dl,7'9:N,6:/F,10:?O, at 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, at 4,\,|,?5,{2,5}=dl,-2:NH,-4:/CN
+<30,Ph,5=?5,7'9:O,{8^-40,8^40}:/F, at 4,\,|,?5,2'5=dl,-2:NH,-4:/CN
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flucythrinate;MW:451.5;EXA:1
:
-<30,Ph, at 6,\,O!,/F,!,F, at 3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<30,Ph, at 6,\,O!,/F,!,F, at 3,\,/?!,!,?O,!O!,/CN,!Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flutolanil;MW:323.3;EXA:1
:
-<30,Ph,2:/?F?F!F, at 3,\,?O,!NH!,Ph,-1:/O+!?!
+<30,Ph,2:/?F?F!F, at 3,\,?O,!NH!,Ph,-1:/O'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fluvalinate;MW:502.92;EXA:1
:
-<30,Ph,5:/Cl,1:/?F?F!F, at 4,\,NH!,/?!,!,?O,!O!,/CN,!Ph,-4:/O!+Ph>rl
+<30,Ph,5:/Cl,1:/?F?F!F, at 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, at -4,\,!,!t,
- @1,\,|,?5,3=?6,3=dr,1:N,{2,5}:?O
+ @1,\,|,?5,3=?6,3=dr,1:N,2'5:?O
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pretilachlor;MW:311.85;EXA:-
:
-<30,Ph,{2,4}:/!, at 3,\,N,/?O!2+Cl`1,!3,O!3
+<30,Ph,2'4:/!, at 3,\,N,/?O!2'Cl`1,!3,O!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Procymidone;MW:284.136;EXA:-
:
-?6,1:N, at 3,&5,{2,6}:?O,{3,5}:/_,1:/Ph+({3,5}:/Cl)
+?6,1:N, at 3,&5,2'6:?O,3'5:/_,1:/Ph'(3'5:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propachlor;MW:211.689;EXA:-
@@ -2213,37 +2204,37 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propazine;MW:229.7;EXA:1
:
-<30,Ph,{2,4,6}:N,5:/Cl,{1,3}:/NH+!?!
+<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
+<30,Ph,1'6:/Cl,3:/NH!'?O!2
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propyzamide;MW:256.1;EXA:1
:
-<30,Ph,{1,5}:/Cl, at 3,\,?O,!NH,!??!,!t
+<30,Ph,1'5:/Cl, at 3,\,?O,!NH,!??!,!t
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Propiconazole;MW:342.22;EXA:-
:
-<30,Ph,{4,6}:/Cl, at 3,\,!2,|,?5,{2,4}=dl,{1,2,4}:N,@$7,?5,{-1,-4}:O,-3:/!2^-15
+<30,Ph,4'6:/Cl, at 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
+<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
+<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+!?!
+<30,Ph,2'4'6:N,5:/S!,1'3:/NH'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromobutide;MW:312.2;EXA:-
@@ -2253,22 +2244,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bromopropylate;MW:428.12;EXA:-
:
-<30,Ph, at 3,\,!Ph,{6,11}:/Br,7:/OH^-45, at 7,30,?O!,O,-60,?!
+<30,Ph, at 3,\,!Ph,6'11:/Br,7:/OH^-45, at 7,30,?O!,O,-60,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexaconazole;MW:314.2;EXA:-
:
-<36,?5,{1,4}=dl,{1,3,5}:N, at 3,30,!5,-4^30:/OH, at -5,-30,Ph,{-3,-1}:/Cl
+<36,?5,1'4=dl,1'3'5:N, at 3,30,!5,-4^30:/OH, at -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?!
+<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, at 3,\,!,?O!,N,/Ph+({-5,-1}:/_),!?!,?O,!O!
+<30,Ph, at 3,\,!,?O!,N,/Ph'(-5'-1:/_),!?!,?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benoxacor;MW:260.1;EXA:-
@@ -2278,27 +2269,27 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Heptachlor;MW:373.35;EXA:1
:
-<30,?6`1.3,3=?5,{6,8}=dl, at 2,210~wf`1.5,&5~wb,{1,2,5,6,9,10^-210,10^-150}:/Cl
+<30,?6`1.3,3=?5,6'8=dl, at 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}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O!,O!2,Ph,-4:/O!+Ph>rl
+<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,/Cl,!Cl, at 3,\,?O!,O!2,Ph,-4:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Penconazole;MW:284.184;EXA:-
:
-<30,Ph,{4,6}:/Cl, at 3,\,/!2,!2,|,<30,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,4'6:/Cl, at 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}:/_, at 4,\,NH,!?,!2
+<30,Ph,3'5:/NO2,1'2:/_, at 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
+<30,Ph,1'3:/NO2,5:/?F?F!F,2:/N?2'!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Benfuresate;MW:256.3;EXA:1
@@ -2308,22 +2299,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bensulide;MW:397.5;EXA:1
:
-<30,!?!,O!,P,//S,/O+!?!^160>rl,!,S!3,NH!,S?O?O,!Ph
+<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, at 3,30,!,/CN^30,/Ph+(4:/Cl)^-30,!4
+<36,?5,1'4=dl,1'3'5:N, at 3,30,!,/CN^30,/Ph'(4:/Cl)^-30,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxychlor;MW:345.644;EXA:-
:
-<30,Ph, at 3,\,!Ph,{6,11}:/O!,7:/?Cl?Cl!Cl
+<30,Ph, at 3,\,!Ph,6'11:/O!,7:/?Cl?Cl!Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Metolachlor;MW:283.8;EXA:-
:
-<30,Ph,5:/!,3:/_, at 4,\,N,/?!2+O!,!,?O!2,Cl
+<30,Ph,5:/!,3:/_, at 4,\,N,/?!2'O!,!,?O!2,Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mefenacet;MW:298.4;EXA:-
@@ -2333,12 +2324,12 @@
%------------------------------------------------------------------------------
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, at 4,-24,Ph,{-3,-1}:/Cl
+<18,?5,5=dl,4'5:N,3^65:/_,{1^12,3^-12}:/?O!'O!2, at 4,-24,Ph,-3'-1:/Cl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Mepronil;MW:269.3;EXA:-
:
-<30,Ph,2:/_, at 3,\,?O,!NH!,Ph,-2:/O+!?!
+<30,Ph,2:/_, at 3,\,?O,!NH!,Ph,-2:/O'!?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Molinate;MW:187.3;EXA:1
@@ -2348,22 +2339,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Resmethrin;MW:338.4;EXA:1
:
-<-30,?3,{2^-35,2'^35}:*/_, at 1,\,!d,?!,3:/?O!+O!2,|,?5,{3,5}=dl,2:O,3:/!Ph
+<-30,?3,{2^-35,2'^35}:*/_, at 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
+<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, at 6,\,O!,/F^35,/F^-35,!,Br, at 3,\,!??!,O!2,Ph,-2:/O!+Ph>rl
+<30,Ph, at 6,\,O!,/F^35,/F^-35,!,Br, at 3,\,!??!,O!2,Ph,-2:/O!'Ph>rl
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Paraquat;MW:257.16;EXA:1
:
-Ph, at 4,\,Ph,{1,10}:N?,1:p_^-90,10:p_^90, at 1,@(0,1.2),Cl,n_^15,
+Ph, at 4,\,Ph,1'10:N?,1:p_^-90,10:p_^90, at 1,@(0,1.2),Cl,n_^15,
@10,@(0,1.2),Cl,n_^15
;
%------------------------------------------------------------------------------
@@ -2374,23 +2365,23 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Endosulfan;MW:406.904;EXA:1
:
-<26,?7,7=?6[13], at 11,208~wf`1.45,&8~wb,10=dl,{3,5}:O,4:S,4:?O,
+<26,?7,7=?6[13], at 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, at 3,\,!d,!,/OH,!??!, at 8,\,|,?5,{2,4}=dl,{1,2,4}:N
+<30,Ph,6:/Cl, at 3,\,!d,!,/OH,!??!, at 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
+<-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, at 3,\,O,!Ph,{-1,-3}:N, at -4,\,O,!Ph, at -5,\,//!O!,!,?O!,O!
+<30,Ph,2:/CN, at 3,\,O,!Ph,-1'-3:N, at -4,\,O,!Ph, at -5,\,//!O!,!,?O!,O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Aramite;MW:334.859;EXA:-
@@ -2410,7 +2401,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Isoxaflutole;MW:359.319;EXA:-
:
-<30,Ph,6:/?F?F!F, at 4,\,S?O?O,!, at 3,\`1,?O,!`1,<-12,|,?5,{1,4}=dl,3:O,4:N,2:/?3
+<30,Ph,6:/?F?F!F, at 4,\,S?O?O,!, at 3,\`1,?O,!`1,<-12,|,?5,1'4=dl,3:O,4:N,2:/?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Iprovalicarb;MW:320.4;EXA:-
@@ -2420,23 +2411,23 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imazalil;MW:297.2;EXA:1
:
-<-30,!,/Ph+({4,6}:/Cl),!,O!2,!d, at 1,60,|,?5,{2,4}=dl,{1,3}:N
+<-30,!,/Ph'(4'6:/Cl),!,O!2,!d, at 1,60,|,?5,2'4=dl,1'3:N
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Imidacloprid;MW:255.662;EXA:1
:
-<30,Ph,1:N,6:/Cl, at 3,\,!,|,?5,1:N,3:NH,2://N+!NO2
+<30,Ph,1:N,6:/Cl, at 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:/!, at 8,-30,!2,Ph,-2:/Cl, at 11,?3,-2:O
+<30,Ph,3=?5,7'9:?O,8^55>lr:/!, at 8,-30,!2,Ph,-2:/Cl, at 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
+<-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:-
@@ -2446,7 +2437,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Oryzalin;MW:346.4;EXA:-
:
-<30,Ph,{1,3}:/NO2,5:/S?O?O+!NH2,2:/N?2+!3
+<30,Ph,1'3:/NO2,5:/S?O?O'!NH2,2:/N?2'!3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Carbaryl;MW:201.22;EXA:-
@@ -2471,22 +2462,22 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clotianidin;MW:249.673;EXA:1
:
-<6,?5,{3,5}=dl,2:S,5:N,1:/Cl, at 3,\,!NH!,/NH!,!d,N,!NO2
+<6,?5,3'5=dl,2:S,5:N,1:/Cl, at 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:/_, at 8,\,?O,!NH!,N,/??!,!,?O,!Ph,{-4,-3}:/_
+<30,?6,3=?6,5:O,7'9'11=dl,7:/_, at 8,\,?O,!NH!,N,/??!,!,?O,!Ph,-4'-3:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Clomeprop;MW:324.2;EXA:-
:
-<30,Ph,{4,6}:/Cl,5:/_, at 3,\,O,!?!,?O,!NH!,Ph
+<30,Ph,4'6:/Cl,5:/_, at 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
+<30,?6,3'4:N,2'6=dl,5:?O,1:/NH2,6:/Cl,4:/Ph
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Chloroxuron;MW:290.745;EXA:-
@@ -2496,42 +2487,42 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyazofamid;MW:324.783;EXA:-
:
-<18,?5,{2,5}=dl,{2,4}:N,1:/Cl,3:/CN, at 4,\,S?O?O,!,N?!,5:/Ph+(4:/_)
+<18,?5,2'5=dl,2'4:N,1:/Cl,3:/CN, at 4,\,S?O?O,!,N?!,5:/Ph'(4:/_)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diuron;MW:233.1;EXA:-
:
-<30,Ph,{1,6}:/Cl, at 3,\,NH!,?O!,N?!
+<30,Ph,1'6:/Cl, at 3,\,NH!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Cyflufenamid;MW:412.36;EXA:-
:
-<30,Ph,4^20:/?F?F!F,{1,2}:/F, at 3,\,!NH!,?O!2,Ph, at -10,\\,N,!,<-12,O!2,?3
+<30,Ph,4^20:/?F?F!F,1'2:/F, at 3,\,!NH!,?O!2,Ph, at -10,\\,N,!,<-12,O!2,?3
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Diflubenzuron;MW:310.7;EXA:-
:
-<30,Ph,{2,4}:/F, at 3,\,?O,!NH!,?O,!NH!,Ph,-3:/Cl
+<30,Ph,2'4:/F, at 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
+<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, at 3,30,!,/OH^30,!2,Si,??!,7:/Ph+(4:/F)^-30,
+<36,?5,1'3'5:N,1'4=dl, at 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:/??!
+<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, at 4,\,?O!,!d`1,/Ph+(4:/Cl),!,|,Ph,{4,5}:/O!
+<30,?6,1:O,4:N, at 4,\,?O!,!d`1,/Ph'(4:/Cl),!,|,Ph,4'5:/O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Silafluofen;MW:408.588;EXA:-
@@ -2551,42 +2542,42 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Thiacloprid;MW:252.72;EXA:-
:
-<30,Ph,1:N,6:/Cl, at 3,\,!,<-12,|,?5,1:N,3:S,-4://N+!CN
+<30,Ph,1:N,6:/Cl, at 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, at 8,\,|,?5,{1,4}=dl,3:S,5:N
+<30,Ph,3=?5,8=dl,9:NH,7:N, at 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:/_, at 5,\\,N,!NO2, at 4,\,!,|,?5,{1,3}=dl,3:N,5:S,4:/Cl
+<30,?6,2:O,4'6:N,6:/_, at 5,\\,N,!NO2, at 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:/??!, at 3,\,N?!,?O,!NH!
+<18,?5,3'5=dl,4'5:N,2:S,1:/??!, at 3,\,N?!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Tebufenozide;MW:352.5;EXA:-
:
-<30,Ph,6:/!, at 3,\,?O,!NH!,N,/??!,!,?O,!Ph,{-4,-2}:/_
+<30,Ph,6:/!, at 3,\,?O,!NH!,N,/??!,!,?O,!Ph,-4'-2:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Teflubenzuron;MW:381.1;EXA:-
:
-<30,Ph,{2,4}:/F, at 3,\,?O,!NH!,?O,!NH!,|,Ph,{3,5}:/Cl,{4,6}:/F
+<30,Ph,2'4:/F, at 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
+<30,?6,3:N,6:O,1'5:/_,3:/!12
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Triflumuron;MW:358.701;EXA:-
:
-<30,Ph,4:/Cl, at 3,\,?O,!NH!,?O,!NH!,Ph,-2:/O!+?F?F!F
+<30,Ph,4:/Cl, at 3,\,?O,!NH!,?O,!NH!,Ph,-2:/O!'?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Naproanilide;MW:291.35;EXA:-
@@ -2596,19 +2587,18 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Novaluron;MW:492.706;EXA:-
:
-<30,Ph,{2,4}:/F, at 3,\,?O,!NH!,?O,!NH!,
+<30,Ph,2'4:/F, at 3,\,?O,!NH!,?O,!NH!,
Ph,-4:/Cl, at -3,\,O!,/F^-35,/F^35,!,/F,!O!,?F?F!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pyraclostrobin;MW:387.817;EXA:-
:
-<30,Ph, at 3,\,!O!,<12,|,?5,{2,5}=dl,{4,5}:N,
- @4,12,Ph,-3:/Cl,||, at 2,\,N,/O!,!?O,!O!
+<30,Ph, at 3,\,!O!,<12,|,?5,2'5=dl,4'5:N, at 4,12,Ph,-3:/Cl,||, at 2,\,N,/O!,!?O,!O!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pirimicarb;MW:238.291;EXA:-
:
-<30,Ph,{1,5}:N,{2,3}:/_,6:/N?!, at 4,\,O!,?O!,N?!
+<30,Ph,1'5:N,2'3:/_,6:/N?!, at 4,\,O!,?O!,N?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Fenoxycarb;MW:301.35;EXA:-
@@ -2623,61 +2613,57 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Ferimzone;MW:254.337;EXA:-
:
-<30,Ph,4:/_, at 3,\,/_,!d,N,!NH!,|,Ph,{2,6}:N,{3,5}:/_
+<30,Ph,4:/_, at 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, at 3,\,NH!,Ph,4:/S!,1^52:*/_,1^-48:/*Ph
+<18,?5,4=dl,3'5:N,2:?O, at 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}:/_, at 3,-15,O,!Ph,
- @4,\,!d,N!,O!2,Ph, at -3,\,?O,-60,O,!4
+<-6,?5,3'5=db,1'2:N,2'5:/_, at 3,-15,O,!Ph, at 4,\,!d,N!,O!2,Ph, at -3,\,?O,-60,O,!4
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Phenmedipham;MW:300.32;EXA:-
:
-<30,Ph,5:/_, at 3,\,NH!,?O!,O,!Ph,-4:/NH!+?O!+O!
+<30,Ph,5:/_, at 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), at -2,\,?O,!O!,??,!,?O!,O!2,!d
+<30,?6,6=dl,3'5:N,2'4:?O,6:/?F?F!F,3:/Ph'(4:/Cl), at -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, at 3,\,O!,-60,?O!,N,/?!,!Ph,-3:/F
+<6,?5,2'5=dl,1'2:N,4:S,5:/?F?F!F, at 3,\,O!,-60,?O!,N,/?!,!Ph,-3:/F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Flufenoxuron;MW:488.77;EXA:-
:
-<30,Ph,{2,4}:/F, at 3,\,?O,!NH!,?O,!NH!,Ph,-1:/F, at -3,\,O,!Ph,-3:/?F?F!F,-1:/Cl
+<30,Ph,2'4:/F, at 3,\,?O,!NH!,?O,!NH!,Ph,-1:/F, at -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, at 4,\,Ph,-4:/?F?F!F,6:/Ph
+<30,?6,3'6=dl,2:N,2:/_,5:?O, at 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, at -3,\,O,!?!,?O,!O,!3,O!,N,!dr,?!
+<90,Ph,3=?6,8'10=dl,7'10:N,1:/Cl, at 8,\,O,!Ph, at -3,\,O,!?!,?O,!O,!3,O!,N,!dr,?!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexaflumuron;MW:461.14;EXA:-
:
-<30,Ph,{2,4}:/F, at 3,\,?O,!NH!,?O,!NH!,
- |,Ph,{3,5}:/Cl, at 4,\,O!,/F^-35,/F^35,!,/F,!F
+<30,Ph,2'4:/F, at 3,\,?O,!NH!,?O,!NH!,|,Ph,3'5:/Cl, at 4,\,O!,/F^-35,/F^35,!,/F,!F
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Hexathiazox;MW:352.877;EXA:-
:
-<30,?6, at 3,\,NH!,?O!,<-24,|,?5,1:N,3:S,2:?O,5:/_,4:/Ph+(4:/Cl)
+<30,?6, at 3,\,NH!,?O!,<-24,|,?5,1:N,3:S,2:?O,5:/_,4:/Ph'(4:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pencycuron;MW:328.84;EXA:-
@@ -2687,17 +2673,17 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Bendiocarb;MW:223.228;EXA:-
:
-<30,Ph,5=?5,{7,9}:O,8:??, at 4,\,O!,?O,!NH!
+<30,Ph,5=?5,7'9:O,8:??, at 4,\,O!,?O,!NH!
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Pentoxazone;MW:353.774;EXA:-
:
-<66,?5,5://?!,1:O,3:N,{2,4}:?O, at 3,\,|,Ph,4:/Cl,6:/F,3:/O!+?5
+<66,?5,5://?!,1:O,3:N,2'4:?O, at 3,\,|,Ph,4:/Cl,6:/F,3:/O!'?5
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Boscalid;MW:343.21;EXA:-
:
-<30,Ph,5:N,4:/Cl, at 3,\,?O,!NH!,Ph,-1:/Ph+(4:/Cl)
+<30,Ph,5:N,4:/Cl, at 3,\,?O,!NH!,Ph,-1:/Ph'(4:/Cl)
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methabenzthiazuron;MW:221.3;EXA:-
@@ -2707,7 +2693,7 @@
%------------------------------------------------------------------------------
CAT:pesticide;EN:Methoxyfenozide;MW:368.48;EXA:-
:
-<30,Ph,2:/_,1:/O!, at 3,\,?O,!NH!,N,/??!,!,?O,!Ph,{-4,-2}:/_
+<30,Ph,2:/_,1:/O!, at 3,\,?O,!NH!,N,/??!,!,?O,!Ph,-4'-2:/_
;
%------------------------------------------------------------------------------
CAT:pesticide;EN:Monolinuron;MW:214.6;EXA:-
@@ -2728,7 +2714,7 @@
CAT:pesticide;EN:Lufenuron;MW:511.15;EXA:-
:
<30,Ph,{2,4}:/F,
- @3,\,?O,!NH!,?O,!NH!,Ph,{-1,-4}:/Cl, at -3,\,O!,/F^35,/F^-35,!,/F,!,?F?F!F
+ @3,\,?O,!NH!,?O,!NH!,Ph,-1'-4:/Cl, at -3,\,O!,/F^35,/F^-35,!,/F,!,?F?F!F
;
%******************************************************************************
CAT:antibacterial;EN:Sulfacetamide;MW:214.239;EXA:-
@@ -2738,22 +2724,22 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfatiazole;MW:255.31;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,?5,{1,3}=dl,2:N,5:S
+<30,Ph,1:/NH2, at 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
+<30,Ph,{1,3}:/_,2:N,4'6:/Cl,5:/OH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadiadine;MW:250.276;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,Ph,{-5,-1}:N
+<30,Ph,1:/NH2, at 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
+?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:-
@@ -2768,106 +2754,104 @@
%------------------------------------------------------------------------------
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?)
+<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, at 4,\,S?O?O,!NH!,Ph,{-5,-1}:N,-4:/_
+<30,Ph,1:/NH2, at 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!)
+<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?)
+ 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)
+<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)
+<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, at 2,-200`1.1,&5,{1,4}:N,4:*/_
+ @1,\,|,?6, at 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, at 3,\,!,|,Ph,2:/_,{4,5}:/O!
+<30,Ph,1'5:N,2'6:/NH2, at 3,\,!,|,Ph,2:/_,4'5:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadimidine;MW:278.33;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,{2,4}:N,{3,5}:/_
+<30,Ph,1:/NH2, at 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
+<30,Ph,3=?6,9=dl,7:N,2'5'6:/F,7:/?3,9:/COOH,10:?O, at 1,\,|,?6,1:N,3'5:*/_,4:NH
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamethoxypyridazine;MW:280.302;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,{5,6}:N,4:/O!
+<30,Ph,1:/NH2, at 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, at 1,\,?6,-6:N,-3:NH,7:/Ph+(4:/F)
+<30,Ph,3=?6,9=dl,7:N,6:/F,9:/COOH,10:?O, at 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?)
+<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, at 4,\,S?O?O,!NH!,|,Ph,{2,4}:N,3:/O!
+<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,2'4:N,3:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfachlorpyridazine;MW:284.723;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,{5,6}:N,4:/Cl
+<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,5'6:N,4:/Cl
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadoxine;MW:310.328;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,{4,6}:N,{2,3}:/O!
+<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,4'6:N,2'3:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfamethoxazole;MW:253.276;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,?5,{2,5}=dl,4:O,5:N,3:/_
+<30,Ph,1:/NH2, at 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, at 3,\,Ph,{-2,-4}:N,-1:/!,{-3,-5}:/NH2
+<30,Ph,6:/Cl, at 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
+<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
+<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:-
@@ -2877,27 +2861,27 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Ethopabate;MW:237.255;EXA:-
:
-<30,Ph,1:/NH!+?O!,3:/O!2,4:/?O!+O!
+<30,Ph,1:/NH!'?O!,3:/O!2,4:/?O!'O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfadimethoxine;MW:310.33;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,{2,4}:N,{3,5}:/O!
+<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,|,Ph,2'4:N,3'5:/O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Sulfaquinoxaline;MW:300.337;EXA:-
:
-<30,Ph,1:/NH2, at 4,\,S?O?O,!NH!,Ph,-4=Ph,{-5,-2}:N
+<30,Ph,1:/NH2, at 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:/!
+<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, at 1,\,O,!Ph,8:/NH!+?O!+O!
+<30,Ph,3=?5,9=dl,7:NH,9:N, at 1,\,O,!Ph,8:/NH!'?O!'O!
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Flumequine;MW:261.225;EXA:-
@@ -2917,23 +2901,23 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Famphur;MW:325.3;EXA:-
:
-<-30,!O!,P,//S,/O!^160,!,O,!Ph,-3:/S?O?O!+N?!
+<-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
+ @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
+<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, at 4,\,/Cl,60~dl,/Cl,!Cl
+<30,Ph,6:/NH2,1'3:/S?O?O'!NH2, at 4,\,/Cl,60~dl,/Cl,!Cl
;
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Florfenicol;MW:358.21;EXA:-
@@ -2948,17 +2932,17 @@
%------------------------------------------------------------------------------
CAT:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:-
:
-<30,Ph,{1,3}:/Cl,6:/O!2+!t, at 4,\,|,?5,2=dl,{1,2}:N,4:O,5:?O,3:/??!
+<30,Ph,1'3:/Cl,6:/O!2'!t, at 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, at 4,\,??,!Ph,{-4,-2}:/Cl
+<30,?6,6=dl,4:N,2:O,1:/_,5:?O,6:/Ph, at 4,\,??,!Ph,-4'-2:/Cl
;
%------------------------------------------------------------------------------
CAT:biological;EN:Pyrrolnitrin;MW:111;EXA:-
:
-<30,Ph, at 3,\,?5,{8,11}=db,{1,11}:/Cl,9:NH,2:/NO2,
+<30,Ph, at 3,\,?5,8'11=db,1'11:/Cl,9:NH,2:/NO2,
;
%******************************************************************************
CAT:biological;EN:Okadaic acid;MW:805.00;EXA:2
@@ -2966,15 +2950,15 @@
<30,?6, at 4,?6, at -4,\,!3,<-12,?5, at -3,<-12,?6,-3=?6, at -3,*\,!3,
?6, at -4,?6, at 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
+ 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, at -3,\,O,!Ph, at -4,\,O,!Ph, at -3,\,&1,
+<-30,#1,!12,1'3'12=zf,7=wf,60,60,Ph, at -3,\,O,!Ph, at -4,\,O,!Ph, at -3,\,&1,
@7,&26,@$1,60,60,NH,60,-60,Ph, at -1,\,Ph, at -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,
+ {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, at 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,
@@ -2982,9 +2966,9 @@
%------------------------------------------------------------------------------
CAT:biological;EN:Maitotoxin;MW:3425.86;EXA:2
:
-<55.8,?6,-4=?7 ,{-4,-3,-3,-3}=?6, at -3,\,!3,?6,{-4,-3,-3,-3}=?6, at -3,\,?6,-3=?6,
- @-3,\,!3,60,<-30,?6,-3=?6, at -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,
+<55.8,?6,-4=?7,-4'-3'-3'-3=?6, at -3,\,!3,?6,-4'-3'-3'-3=?6, at -3,\,?6,-3=?6,
+ @-3,\,!3,60,<-30,?6,-3=?6, at -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,
@@ -2996,6 +2980,6 @@
@$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
+ @$150,\,|,!7,1'2:/*OH,4:*/_,5:/*_,7=dl
;
%------------------------------------------------------------------------------
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf2graph.mp 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 5.12 Copyright (c) 2013-2024 Akira Yamaji
+% mcf2graph ver 5.13 Copyright (c) 2013-2024 Akira Yamaji
%
% Permission is hereby granted, free of charge, to any person obtaining a copy of this software
% and associated documentation files (the "Software"), to deal in the Software without restriction,
@@ -22,7 +22,7 @@
% This package is located at : http://www.ctan.org/pkg/mcf2graph
% Suggestion or request mail to : mcf2graph at gmail.com
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-message "* This is mcf2graph ver 5.12 2024.02.25";
+message "* This is mcf2graph ver 5.13 2024.11.10";
tracingstats:=1; prologues:=3; warningcheck:=0;
%-------------------------------------------------------------------------------------------------
newinternal string EN_;
@@ -33,7 +33,7 @@
lib_tag[][],lib_val[][],mc,ex,ad,op,aux_delimiter,default_library,EN,FM,MW,MI,CAT,JN,CAS,
USE,EXA,EXB,file_input,file_output,default_temp_file,mpfont,atomfont,tempc,temps,blanks,
sC,sI,sS,sT,sV,forbiddens;
-pair save_pair[],msize,mposition,fsize,fmargin,save_mposition,?,?wf,?zf,?w,?z,?O,?NH;
+pair save_pair[],msize,mposition,fsize,fmargin,save_mposition;
%-------------------------------------------------------------------------------------------------
fig_num:=str_cnt:=tbl_cnt:=mangle:=sw_frame:=sw_trimming:=sw_ext_all:=sw_abbreviate:=sw_expand:=0;
sw_comment:=sw_output:=sw_numbering:=tag_cnt:=rw_cnt:=pcode_all:=0;
@@ -73,6 +73,7 @@
vardef fdr(expr n)(expr s)=
if length(decimal(s))>n: substring (0,n) of decimal(s) else: fsr(n)(decimal(s)) fi enddef;
vardef fdl(expr n)(expr s)= fsl(n)(decimal(s)) enddef;
+vardef Incr suffix $ == $:=$+-1; $ enddef;
%=================================================================================================
default_library:="main_lib.mcf"; default_temp_file:="temp.mcf";
mpfont:="uhvr8r"; atomfont:="draw"; defaultfont:=mpfont;
@@ -186,7 +187,8 @@
EN:=JN:=MW:=FM:=MI:=CAS:=CAT:=EXA:=EXB:=USE:="-";
f_ext:=cntM:=mc_row:=ex_row:=ad_row:=op_row:=info_cnt:=err_cnt:=0;
let ext=ext_to_fig; let add=add_to_molecule; let ++=add_to_molecule; let **=ext_to_fig;
- def ' = define_parts enddef; def '' = readm enddef; def \ = drawm enddef; def \\ = putm enddef;
+ def '' = define_parts enddef; def '` = readm enddef;
+ def \ = drawm enddef; def \\ = putm enddef;
def \* = checkm enddef; def $ = getm enddef; def @ expr p = mposition:=p; enddef;
def # expr p = fsize:=p; enddef; def #@ expr p = fmargin:=p; enddef;
def `(expr s) = define_group_string(s)() enddef; def `` = define_group_string enddef;
@@ -309,7 +311,7 @@
vardef define_parts(text t)= pcode_num:=pcode_num+-1; read_mcf(pcode_num)(t); pcode_num enddef;
vardef abs_adress primary n = if n LT 0:: (n+-360)-4095 else:: n-4095 fi enddef;
primarydef a from_until b = (_from,a),(_until,b) enddef;
-primarydef a op_plus b = define_parts(a,b) enddef;
+primarydef a op_quot b = add_parts(a,b) enddef;
tertiarydef a bond__bond b = (a,b) enddef;
tertiarydef a bond___bond b = (a+-2000,b) enddef;
tertiarydef a bond____bond b = (a+-2000,b+-2000) enddef;
@@ -334,32 +336,29 @@
def read_mcf(expr n)(text t)=
begingroup
if unknown inside_mc::
- save /,//,/*,*/,**,*/*,~,^,`,<,>,:,=,+,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,
+ save /,//,/*,*/,**,*/*,~,^,`,',<,>,:,=,+,\,\\,*\,\*,*\*,@,@$,$,&,&$,#,##,{,},|,||,_,
--,---,----,CP,CA,CC,DL,FR,inside_mc;
inside_mc:=1; | :=mark_adress; || :=reset_adress; ##:=reset_length; _:=NO_ATOM;
- \:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv;
- let = ==op_equ; let : ==op_col; let ^ ==op_hat; let ~ ==op_til; let > ==op_lth; let `==op_bqu;
- let -- == bond__bond; let --- == bond___bond; let ---- == bond____bond; let + ==op_plus;
- let } ==); let @$ ==jump_atom_abs; let < ==rot_angle; let @ ==jump_atom; let & ==cyc_atom;
+ \:=0; \\:=zero_dm; *\:=zero_wf; \*:=zero_zf; *\*:=zero_wv; let ' == op_quot;
+ let = ==op_equ; let : ==op_col; let ^ ==op_hat; let ~ ==op_til; let > ==op_lth;
+ let ` ==op_bqu; let -- == bond__bond; let --- == bond___bond; let ---- == bond____bond;
+ let } == ); let @$ ==jump_atom_abs; let < ==rot_angle; let @ ==jump_atom; let & ==cyc_atom;
let # ==chg_length; let / ==group_si; let // ==group_dm; let */ ==group_wf; let /* ==group_zf;
- let */*==group_wv; let **==group_nb; let CP == pcode_add; let CA == pcode_add_adr;
+ let */* ==group_wv; let ** ==group_nb; let CP == pcode_add; let CA == pcode_add_adr;
let FR == fuse_ring_bonds; def DL(expr p)==CA(_set_line,dl,p) enddef;
def CB(expr p)==CP(_mk_bond,p) enddef; def CC(expr p)==CP(_com,p) enddef;
- def $==abs_adress enddef; def &$==&.$ enddef; def {==read_number( enddef;
+ def $ ==abs_adress enddef; def &$ ==&.$ enddef; def { ==read_adress( enddef;
fi
%----------------------------------------------------------------------------------------------
pcode_cnt[n]:=0;
for list==t::
if known list::
- if pair list:: pcode_cnt[n]:= pcode_cnt[n]+-1;
- pcode_com[n][pcode_cnt[n]]:=xpart(list);
- pcode_par[n][pcode_cnt[n]]:=ypart(list);
+ if pair list::
+ pcode_com[n][Incr pcode_cnt[n]]:=xpart(list); pcode_par[n][pcode_cnt[n]]:=ypart(list);
ef numeric list::
if list==_nop:: message "unknown command in "AND decimal(n);
ef list>=pcode_emb_start:: expand_pcode(n,list);
- else::
- pcode_cnt[n]:=pcode_cnt[n]+-1;
- pcode_com[n][pcode_cnt[n]]:=_mk_bond; pcode_par[n][pcode_cnt[n]]:=list;
+ else:: pcode_com[n][Incr pcode_cnt[n]]:=_mk_bond; pcode_par[n][pcode_cnt[n]]:=list;
fi
fi
else:: message "unknown command in "AND decimal(n);
@@ -372,17 +371,16 @@
if n==0::
for i==1 upto pcode_cnt[a]::
if pcode_com[a][i]>=pcode_emb_start:: expand_pcode(n,pcode_com[a][i]);
- else:: pcode_cnt[n]:=pcode_cnt[n]+-1;
- pcode_com[n][pcode_cnt[n]]:=pcode_com[a][i];
- pcode_par[n][pcode_cnt[n]]:=pcode_par[a][i];
+ else::
+ pcode_com[n][Incr pcode_cnt[n]]:=pcode_com[a][i];
+ pcode_par[n][pcode_cnt[n]]:=pcode_par[a][i];
fi
endfor
- else::
- pcode_cnt[n]:=pcode_cnt[n]+-1; pcode_com[n][pcode_cnt[n]]:=a;
+ else:: pcode_com[n][Incr pcode_cnt[n]]:=a;
fi
enddef;
%-------------------------------------------------------------------------------------------------
-vardef read_number(text t)=
+vardef read_adress(text t)=
save :,';
let : == from_until; def ' == +-2000 enddef;
pcode_int:=pcode_int+-1;
@@ -391,16 +389,14 @@
if known list::
if numeric list::
if list==_nop:: message "unknown command in "AND decimal(pcode_int);
- else:: nA:=nA+-1; pcode_com[pcode_int][nA]:=_numeric; pcode_par[pcode_int][nA]:=list;
+ else:: pcode_com[pcode_int][Incr nA]:=_numeric; pcode_par[pcode_int][nA]:=list;
fi
ef pair list::
if xpart(list)==_from:: nB:=ypart(list);
- ef xpart(list)==_until:: nC:=ypart(list);
- for i==nB upto nC::
- nA:=nA+-1; pcode_com[pcode_int][nA]:=_numeric; pcode_par[pcode_int][nA]:=i;
- endfor
- else:: nA:=nA+-1;
- pcode_com[pcode_int][nA]:=xpart(list); pcode_par[pcode_int][nA]:=ypart(list);
+ ef xpart(list)==_until::
+ for i==nB upto ypart(list)::
+ pcode_com[pcode_int][Incr nA]:=_numeric; pcode_par[pcode_int][nA]:=i; endfor
+ else:: pcode_com[pcode_int][Incr nA]:=xpart(list); pcode_par[pcode_int][nA]:=ypart(list);
fi
fi
else:: message "unknown command in "AND decimal(pcode_int);
@@ -408,6 +404,19 @@
endfor
pcode_cnt[pcode_int]:=nA; pcode_int
enddef;
+%-------------------------------------------------------------------------------------------------
+vardef add_parts(expr a,b)=
+ if (a LT pcode_emb_start)and(b LT pcode_emb_start)::
+ pcode_com[Incr pcode_int][1]:=_numeric; pcode_par[pcode_int][1]:=a;
+ pcode_com[pcode_int][2]:=_numeric; pcode_par[pcode_int][2]:=b; pcode_cnt[pcode_int]:=2;
+ elseif (a>=pcode_int_start)and(b LT pcode_int_start)::
+ if b>=pcode_emb_start:: pcode_com[a][Incr pcode_cnt[a]]:=b;
+ else:: pcode_com[a][Incr pcode_cnt[a]]:=_numeric; pcode_par[a][pcode_cnt[a]]:=b;
+ fi
+ else:: pcode_com[Incr pcode_int][1]:=a; pcode_com[pcode_int][2]:=b; pcode_cnt[pcode_int]:=2;
+ fi
+ pcode_int
+enddef;
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
def fuse_ring(expr a,b) =
CP(_jp_bond,a) CP(_rot_ang,180) CP(_get_len,a) CC(_len_s) CP(_chg_len,_ring_len)
@@ -509,6 +518,8 @@
CC(_group_s) CA(_group_si,H,a) CC(_group_e)
ef b==N?:: CA(_chg_atom,N,a) CC(_group_s) CA(_group_si,_,a) CC(_group_e)
ef b==N?2:: CA(_chg_atom,N,a) CC(_group_s) CA(_group_si,!,a) CC(_group_e)
+ ef b==?O:: CC(_group_s) CA(_group_dm,O,a) CC(_group_e)
+ ef b==?NH:: CC(_group_s) CA(_group_dm,NH,a) CC(_group_e)
ef b==??:: CP(_tmp_rot, 35) CC(_group_s) CA(_group_si,_,a) CC(_group_e)
CP(_tmp_rot,-35) CC(_group_s) CA(_group_si,_,a) CC(_group_e)
ef b==n_:: CC(_group_s) CP(_set_add,MIS) CP(_chg_add,a) CC(_group_e)
@@ -1407,8 +1418,8 @@
fi
%-----------------------------------------------------------------------------------------------
tbl_group_end:=tbl_cnt; pcode_atm_end:=pcode_num;
- ?:=(_group_si,NO_ATOM); ?wf:=?w:=(_group_si,NO_ATOM); ?zf:=?z:=(_group_si,NO_ATOM);
- ?O:=(_group_dm,O); NH:='(N,/H~nl); ?NH:=(_group_dm,NH);
+ ?:='((_group_si,NO_ATOM)); ?wf:=?w:='((_group_wf,NO_ATOM)); ?zf:=?z:='((_group_zf,NO_ATOM));
+ ?O:='((_group_dm,O)); NH:='(N,/H~nl); ?NH:='((_group_dm,NH));
%-----------------------------------------------------------------------------------------------
?H:='(/H); ?F:='(/F); ?Cl:='(/Cl); ?OH:='(/OH); ?OH:='(/COOH); ?NH2:='(/NH2);
for i=3 upto 20: ?[i]:='((_com,_len_ss),(_get_len,_ring_len),<((-180 DIV i)-90)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mp 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF metapost souce file example by Akira Yamaji 2024.02.12
+% MCF metapost souce file example by Akira Yamaji 2024.11.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.12
-message "* mcf_template 2024.02.12";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.13
+message "* mcf_template 2024.11.10";
message "";
%------------------------------------------------------------------------------
fsize:=(30mm,20mm);
@@ -20,7 +20,7 @@
%%%%sw_comment:=1; loadm("CAT=biological","MW>=100","MW<=250","a:MW");
%%%%savem("temp.mcf"); % save to temp.mcf
%%%%loadm("EN<>*"); % select all
-loadm("EXA=1"); % select EXA=1
+loadm("EXA=9"); % select EXA=1
%------------------------------------------------------------------------------
for i=1 upto ucount: beginfigm $(i) \\ endfigm endfor
%******************************************************************************
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2024.02.25
+% Example of MCF Typeset with LuaLaTeX(luamplib) by A.Yamaji 2024.11.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.12
+% ** mcf2graph.mf must be version 5.13
% ** use mcf_library.mcf
% ** typeset by LuaLaTeX(luamplib)
%-------------------------------------------------------------------------
@@ -29,7 +29,7 @@
Author : Akira Yamaji \quad Date : \today \\
Located at : http://www.ctan.org/pkg/mcf2graph
\end{center}
-{\small *use 'mcf2grapf.mp' ver 5.12 \quad
+{\small *use 'mcf2grapf.mp' ver 5.13 \quad
*typeset with LuaLaTeX \quad
*use molecular library file 'main\_lib.mcf' \\
** FM(fm):molecular formula (calculated) \quad
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
===================================================================
(Binary files differ)
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2024.02.25
+% Molecular Coding Format manual by Akira Yamaji 2024.11.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 5.12
+% ** mcf2graph.mf must be version 5.13
% ** use main_lib.mcf
% ** typeset by LuaLaTeX(luamplib)
%----------------------------------------------------------------------------
@@ -37,7 +37,7 @@
\author{Akira Yamaji}
\date{\today}
\maketitle
-\begin{center} mcf2graph version 5.12 \end{center}
+\begin{center} mcf2graph version 5.13 \end{center}
\begin{center} Located at http://www.ctan.org/pkg/mcf2graph \end{center}
\begin{center} Suggestion or request mail to: mcf2graph at gmail.com \end{center}
%-----------------------------------------------------------------------------
@@ -60,16 +60,16 @@
% L-Valine
beginfigm \(<30,NH2,!~wb,/?!,!,COOH) endfigm
% L-Leucine
-beginfigm \(<30,NH2,!~wb,/'(!,?!),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/''(!,?!),!,COOH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
% L-Isoleucine
-beginfigm \(<30,NH2,!~wb,/'(/*_,!2),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/''(/*_,!2),!,COOH) endfigm
% L-Serine
beginfigm \(<30,NH2,!~wb,/!OH,!,COOH) endfigm
% L-Threonine
-beginfigm \(<30,NH2,!~wb,/'(/_,!~wf,OH),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/''(/_,!~wf,OH),!,COOH) endfigm
% L-Cysteine
beginfigm \(<30,NH2,!~wb,/!SH,!,COOH) endfigm
\end{mplibcode}
@@ -76,11 +76,11 @@
\\
\begin{mplibcode}
% L-Methionine
-beginfigm \(<30,NH2,!~wb,/'(!2,S,!),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/!2'S!,!,COOH) endfigm
% L-Phenylalanine
beginfigm \(<30,NH2,!~wb,/!Ph,!,COOH) endfigm
% L-Tyrosine
-beginfigm \(<30,NH2,!~wb,/'(!Ph,-3:/OH),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/!Ph'(-3:/OH),!,COOH) endfigm
% L-Triptophan
beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\,!,<24,|,?5,-4=Ph,2=dr,5=dl,4:NH) endfigm
\end{mplibcode}
@@ -91,7 +91,7 @@
% L-Glutamine
beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!,//O,!,NH2) endfigm
% L-Asparagine
-beginfigm \(<30,NH2,!~wb,/'(!,//O,!,NH2),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/!'?O'!NH2,!,COOH) endfigm
% L-Aspartic acid
beginfigm \(<30,NH2,!~wb,/!COOH,!,COOH) endfigm
\end{mplibcode}
@@ -98,22 +98,23 @@
\\
\begin{mplibcode}
% L-Glutamic acid
-beginfigm \(<30,NH2,!~wb,/'(!2,COOH),!,COOH) endfigm
+%%%%%%%beginfigm \(<30,NH2,!~wb,/''(!2,COOH),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/!2'COOH,!,COOH) endfigm
% L-Lysine
-beginfigm \(<30,NH2,!~wb,/'(!4,NH2),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/!4'NH2,!,COOH) endfigm
% L-Arginine
beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\`1,!`1,!2,NH,!,//NH,!,NH2) endfigm
% L-Hystidine
-beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,{1,3}=dl,3:N,5:NH) endfigm
+beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\,!,|,?5,1'3=dl,3:N,5:NH) endfigm
\end{mplibcode}
\\
\begin{mplibcode}
% L-DOPA
-beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,{-3,-4}:/OH) endfigm
+beginfigm \(<30,NH2,!~wb,!,COOH, at 2,\,!,Ph,-3'-4:/OH) endfigm
% Ornithine
-beginfigm \(<30,NH2,!~wb,/'(!3,NH2),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/''(!3,NH2),!,COOH) endfigm
% Citrulline
-beginfigm \(<30,NH2,!~wb,/'(!3,NH,!,//O,!,NH2),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/''(!3,NH,!,//O,!,NH2),!,COOH) endfigm
% GABA
beginfigm \(<30,NH2,!4,COOH) endfigm
\end{mplibcode}
@@ -124,7 +125,7 @@
% 4-amino benzoic acid
beginfigm \(<30,Ph,1:/NH2,4:/COOH) endfigm
% L-Carboxyl glutamic acid
-beginfigm \(<30,NH2,!~wb,/'(!,/COOH,!,COOH),!,COOH) endfigm
+beginfigm \(<30,NH2,!~wb,/''(!,/COOH,!,COOH),!,COOH) endfigm
% L-Hydroxy Prorine
beginfigm \(<18,?5,1:/OH,3:NH,4:*/COOH) endfigm
\end{mplibcode}
@@ -550,9 +551,9 @@
\subsubsection{Change multiple bond type}
\index{vf}%
\begin{verbatim}
-{2,4,6,8'}=dl : 2=dl,4=dl,6=dl,8=dr
+{2,4,6}=dl or 2'4'6=dl : 2=dl,4=dl,6=dl
-<30,!7,{2,4,6,8'}=dl
+<30,!7,{2,4,6}=dl or <30,!7,2'4'6=dl
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -559,7 +560,7 @@
beginfigm
#(60mm,8mm) #@(2mm,3mm)
ratio_chain_ring:=1;
- \(<30,!9,{2,4,6,8'}=dl)
+ \(<30,!7,2'4'6=dl)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -633,17 +634,17 @@
\index{:}%
\begin{verbatim}
2:O : change A2 C to O
-{3,4}:N : change A3,A4 C to N
+{3,4}:N or 3'4:N : change A3,A4 C to N
-<30,!4,2:O,{3,4}:N
+<30,!4,2:O,{3,4}:N or <30,!4,2:O,3'4:N
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
beginfigm
#(70mm,10mm) ##(0.48,1)
- @(0,0.5)\(<30,!5,2:O,{3,4}:N)
+ @(0,0.5)\(<30,!5,2:O,3'4:N)
sw_numbering:=Atom;
- @(1,0.5)\(<30,!5,2:O,{3,4}:N)
+ @(1,0.5)\(<30,!5,2:O,3'4:N)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -752,7 +753,7 @@
#(60mm,18mm) #@(2mm,1.5mm)
sw_trimming:=1;
sw_numbering:=Bond;
- \(<30,?6,3=?6,3=dt,{7:11}=bd_r)
+ \(<30,?6,3=?6,3=dt,7'11=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -769,7 +770,7 @@
sw_trimming:=1;
sw_numbering:=Bond;
\(?6, at 4,\,?6`1.2,5=?6,11=?6,
- {14:23}=bd_r,{5,11}=dt)
+ {14:23}=bd_r,5'11=dt)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -787,7 +788,7 @@
margin_top_bottom:=1.5mm;
sw_numbering:=Bond;
sw_trimming:=1;
- \(<30,?6,3=?6[13],3=dt,{7:11}=bd_r)
+ \(<30,?6,3=?6[13],3=dt,7'11=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -823,13 +824,13 @@
#(75mm,20mm) #@(2mm,2mm)
sw_numbering:=Bond;
##(1,.9)
- @( 0,.5)\(<30,?6,{3,11--4}=?6,{11,4}=dt,{12:15}=bd_r)
+ @( 0,.5)\(<30,?6,{3,11--4}=?6,11'4=dt,12'15=bd_r)
++(defaultscale:=0.4; label("(1)",p0);)
##(1,.9)
- @(.5,.5)\(<30,?6,3=?6,{11--4}=?5,{11,4}=dt,{12:14}=bd_r)
+ @(.5,.5)\(<30,?6,3=?6,{11--4}=?5,11'4=dt,{12:14}=bd_r)
++(defaultscale:=0.4; label("(2)",p0);)
##(1,.9)
- @( 1,.5)\(<30,?6,3=?6,{11--4}=?4,{11,4}=dt,{12,13}=bd_r)
+ @( 1,.5)\(<30,?6,3=?6,{11--4}=?4,11'4=dt,12'13=bd_r)
++(defaultscale:=0.4; label("(3)",p0);)
endfigm
\end{mplibcode}
@@ -843,7 +844,7 @@
16---4=?5 : fuse 2/5 ring to B16..B4
1:?6,{3,10,16---4}=?6
-2:?6,{3,10}=?6,16---4=?5
+2:?6,3'10=?6,16---4=?5
\end{verbatim}
%-----------------------------------------
@@ -851,9 +852,9 @@
beginfigm
#(60mm,20mm) #@(2mm,2mm)
sw_numbering:=Bond;
- @(0,1)\(?6,{3,10}=?6,16---4=?6,{16,4}=dt,{17:19}=bd_r)
+ @(0,1)\(?6,3'10=?6,16---4=?6,16'4=dt,17'19=bd_r)
++(defaultscale:=0.4; label("(1)",p0);)
- @(1,0)\(?6,{3,10}=?6,16---4=?5,{16,4}=dt,{17,18}=bd_r)
+ @(1,0)\(?6,3'10=?6,16---4=?5,16'4=dt,17'18=bd_r)
++(defaultscale:=0.4; label("(2)",p0);)
endfigm
\end{mplibcode}
@@ -873,7 +874,7 @@
beginfigm
#(60mm,20mm) #@(2mm,2mm)
sw_numbering:=Bond;
- \(<-30,?6,{3,10,15}=?6,21----4=?6,{21,4}=dt,{22,23}=bd_r)
+ \(<-30,?6,3'10'15=?6,21----4=?6,21'4=dt,22'23=bd_r)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -915,7 +916,7 @@
\begin{mplibcode}
beginfigm
#(75mm,18mm);
- \(<30,!,/_,!2,/!,!2,/!,!4,/?!,!4,/??!,!2,/'(Ph`0.8)^-60,!)
+ \(<30,!,/_,!2,/!,!2,/!,!4,/?!,!4,/??!,!2,/''(Ph`0.8)^-60,!)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -974,7 +975,7 @@
\subsubsection{Add group}
\begin{verbatim}
<30,!17,2:/_,3:/!,4:/!2,7:/iPr,
- 8:/tBu,10:/'(Ph`0.6)^-15,
+ 8:/tBu,10:/''(Ph`0.6)^-15,
{11,12,13'}:*/_,{15,16,17'}:/*_
\end{verbatim}
%-----------------------------------------
@@ -983,7 +984,7 @@
#(75mm,25mm) #@(2mm,2mm)
sw_numbering:=Atom;
numbering_end:=17;
- \(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/'(Ph`0.6)^-15,
+ \(<30,!17,2:/_,3:/!,4:/!2,7:/iPr,8:/tBu,10:/''(Ph`0.6)^-15,
{11,12,13'}:*/_,{15,16,17'}:/*_)
endfigm
\end{mplibcode}
@@ -1112,17 +1113,17 @@
%-----------------------------------------------------------------------------
\subsubsection{Rotate multiple angle}
\begin{verbatim}
->'(90,-90,...) : rotate 90,-90,...
+>{90,-90,...} : rotate 90,-90,...
-<30,!6,6>'(90,-90,90,-90,90):/!5
+<30,!6,6>{90,-90,90,-90,90}:/!5
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
beginfigm
#(60mm,20mm);
- \(<30,!6,6>'(90,-90,90,-90,90):/!5)
+ \(<30,!6,6>{90,-90,90,-90,90}:/!5)
++(defaultscale:=0.5; labeloffset:=2bp;
- label.lft(">'(90,-90,90,-90,90)",A13);
+ label.lft(">{90,-90,90,-90,90}",A13);
label.rt(">90",A12);
label.lft(">-90",A11);
label.rt(">90",A10);
@@ -1183,13 +1184,13 @@
\begin{verbatim}
`(..) : define group
``(..)(..) : define group with atoms
-'(..) : define parts
+''(..) : define parts
CF3:=`("{CF3}"); % ** group weight =0
CF3:=``("{CF3}")(C,F,F,F);
** group weight =12(C)+19(F)*3=69
-iBuOH:='(!?!,OH);
-\(<30,?6,{4,6}:/iBuOH,3:/CF3)
+iBuOH:=''(!?!,OH);
+\(<30,?6,4'6:/iBuOH,3:/CF3)
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -1196,19 +1197,19 @@
beginfigm
#(60mm,10mm);
sw_trimming:=1;
- iBuOH:='(!?!,OH);
+ iBuOH:=''(!?!,OH);
CF3:=``("{CF3}")(C,F,F,F);
- \(<30,?6,{4,6}:/iBuOH,3:/CF3)
+ \(<30,?6,4'6:/iBuOH,3:/CF3)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
\subsubsection{Concatenate group,parts}
-\index{+}%
+\index{'}%
\begin{verbatim}
-a+b : '(a,b)
-/!?!+OH : /'(!?!,OH)
+a'b : {a,b} or ''(a,b)
+/!?!'OH : /''(!?!,OH)
- <30,!8,{2,6}:/!?!+OH
+ <30,!8,2'6:/!?!'OH
\end{verbatim}
%-----------------------------------------
\begin{mplibcode}
@@ -1215,7 +1216,7 @@
beginfigm
#(60mm,12mm) #@(2mm,1mm)
sw_trimming:=1;
- \(<30,!8,{2,6}:/!?!+OH)
+ \(<30,!8,2'6:/!?!'OH)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1268,7 +1269,7 @@
\index{green}%
\begin{verbatim}
beginfigm
- \(<30,Ph,{2,5}:N,3:/NH2,4:/COOH,
+ \(<30,Ph,2'5:N,3:/NH2,4:/COOH,
2:red, 5:blue, 3=green)
endfigm
\end{verbatim}
@@ -1276,7 +1277,7 @@
\begin{mplibcode}
beginfigm
#(50mm,18mm) |<(8mm)
- \(<30,Ph,{2,5}:N,3:/NH2,4:/COOH,
+ \(<30,Ph,2'5:N,3:/NH2,4:/COOH,
2:red,5:blue,3=green)
endfigm
\end{mplibcode}
@@ -1288,7 +1289,7 @@
%----------------
atomfont:="cmr8";
%----------------
- \(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+ \(<30,Ph,2'5:N,3:/NH2,4:/COOH)
endfigm
\end{verbatim}
%-----------------------------------------
@@ -1296,7 +1297,7 @@
beginfigm
#(50mm,18mm) |<(8mm)
atomfont:="cmr8";
- \(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+ \(<30,Ph,2'5:N,3:/NH2,4:/COOH)
endfigm
\end{mplibcode}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -1775,7 +1776,7 @@
%------------------------------------------------------
\begin{mplibcode}
beginfigm
- ''("<30,!2`0.5,2:O")
+ '`("<30,!2`0.5,2:O")
#(70mm,12mm)
sw_frame:=sw_frame+Atom;
ratio_atomgap_atom:=0.00; @(0, .5)\(scantokens(mc))
@@ -1817,7 +1818,7 @@
%------------------------------------------------------
\begin{mplibcode}
beginfigm
- ''("<30,!2,2:/*_`1.5")
+ '`("<30,!2,2:/*_`1.5")
#(70mm,15mm)
ratio_hashgap_bond:=0.06; @(0.08,.5)\(scantokens(mc))
ratio_hashgap_bond:=0.12; @( .55,.5)\(scantokens(mc)) %<<== default
@@ -1931,7 +1932,7 @@
#(60mm,15mm)
@(0, .5)\(<30,Ph,1:/COOH,3:/NH2)
sw_expand:=1;
- @(1, .5)\(<30,Ph,1:/'(//O^-60,/OH^60),3:/'(N,/H^60,/H^-60))
+ @(1, .5)\(<30,Ph,1:/''(//O^-60,/OH^60),3:/''(N,/H^60,/H^-60))
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -1944,7 +1945,7 @@
%------------------------------------------------------
\begin{mplibcode}
beginfigm
- ''("<30,Ph,4:/Cl,3:/F")
+ '`("<30,Ph,4:/Cl,3:/F")
#(60mm,12mm)
@(.15, .5)\(scantokens(mc))
sw_abbreviate:=Group;
@@ -1961,7 +1962,7 @@
%------------------------------------------------------
\begin{mplibcode}
beginfigm
- ''("<30,Ph,4:/Cl,3:/F")
+ '`("<30,Ph,4:/Cl,3:/F")
#(60mm,12mm)
@(.15, .5)\(scantokens(mc))
sw_abbreviate:=Bond;
@@ -2146,17 +2147,17 @@
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
-\subsection{readm [ ' ' ]}
+\subsection{readm [ ' ` ]}
\index{readm()}%
-\index{''}%
+\index{'`}%
\begin{verbatim}
readm(string1,string2, ...);
** string = mcf code
-''(): abbreviated form of readm()
+'`(): abbreviated form of readm()
(example)
-''("<30,Ph,{1,2,6}:/O!,{-4,-5}=?7,",
- " {-1,-4,-6}=dl,-2://O,-3:/O!, ",
+'`("<30,Ph,1'2'6:/O!,-4'-5=?7, ",
+ " -1'-4'-6=dl,-2://O,-3:/O!, ",
" @9,\,NH,!,//O,! ")
\end{verbatim}
%-----------------------------------------------------------------------------
@@ -2170,7 +2171,7 @@
(check mcf and compile)
beginfigm
- ''("<30,Ph,2:") % ** '2:' missing arg
+ '`("<30,Ph,2:") % ** '2:' missing arg
if \*(mc)=0: \(scantokens(mc)) fi
endfigm
** \*(mc) : error count
@@ -2179,13 +2180,13 @@
\quad
\begin{mplibcode}
beginfigm
- ''("<30,Ph,2:N")
+ '`("<30,Ph,2:N")
sw_trimming:=0;
#(12mm,12mm);
if \*(mc)=0: \(scantokens(mc)) fi
endfigm
beginfigm
- ''("<30,Ph,2:")
+ '`("<30,Ph,2:")
sw_trimming:=0;
#(12mm,12mm);
if \*(mc)=0: \(scantokens(mc)) fi
@@ -2497,7 +2498,7 @@
|=(0.065)
%---------------------------------------
@(0.1,0.5)\(
- <-210,60`1,60`1,60`1,{1,3}=dl)
+ <-210,60`1,60`1,60`1,1'3=dl)
++(
defaultscale:=0.6;
label.bot("Diene",p0+(0.5w,0));
@@ -2622,7 +2623,7 @@
\begin{verbatim}
beginfigm
#(50mm,15mm)
- \(<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
+ \(<30,Ph,3=?5, at 8,\,?5,9'16=dl,9'14:N,7'11:S,1:/OH,-2:*/COOH)
endfigm
\end{verbatim}
%-------------------------------------------
@@ -2630,7 +2631,7 @@
loadm("EN<>*");
beginfigm
#(50mm,15mm)
- \(<30,Ph,3=?5, at 8,\,?5,{9,16}=dl,{9,14}:N,{7,11}:S,1:/OH,-2:*/COOH)
+ \(<30,Ph,3=?5, at 8,\,?5,9'16=dl,9'14:N,7'11:S,1:/OH,-2:*/COOH)
endfigm
\end{mplibcode}
%-----------------------------------------------------------------------------
@@ -2639,10 +2640,10 @@
\paragraph{(Colchicine)}
\begin{verbatim}
beginfigm
- ''(
- "<30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
- " {-1,-4,-6}=dl,-2://O,-3:/O!, ",
- " 9:/NH!+?O! ")
+ '`(
+ "<30,Ph,1'2'6:/O!,-4'-5=?7, ",
+ " -1'-4'-6=dl,-2://O,-3:/O!, ",
+ " 9:/NH!'?O! ")
#(40mm,20mm) \\
endfigm
\end{verbatim}
@@ -2650,10 +2651,10 @@
% Colchicine MW:385.41
\begin{mplibcode}
beginfigm
- ''(
- "<30,Ph,{1,2,6}:/O!,{-4,-5}=?7, ",
- " {-1,-4,-6}=dl,-2://O,-3:/O!, ",
- " 9:/NH!+?O! ")
+ '`(
+ "<30,Ph,1'2'6:/O!,-4'-5=?7, ",
+ " -1'-4'-6=dl,-2://O,-3:/O!, ",
+ " 9:/NH!'?O! ")
#(40mm,20mm) \\
endfigm
\end{mplibcode}
@@ -2668,7 +2669,7 @@
beginfigm
%"EN:Maltose","MW:342.3",
- ''(
+ '`(
%----------------------------------------------------
"#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
"#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
@@ -2683,7 +2684,7 @@
\begin{mplibcode}
beginfigm
%"EN:Maltose","MW:342.3",
- ''(
+ '`(
%-------------------------------------------------------
"#1.25,-30~wf_r,30~bd_r`1,30~wb_r,120,O,30,&1,##, ",
"#.5,{1^$-90,2^$90,3^$-90}:/OH,6^$90:/!OH, ",
@@ -2701,10 +2702,10 @@
beginfigm
_"Erythromycin" MW:="733.93";
#(60mm,30mm) @(1,0.5)
- ''(
+ '`(
%-----------------------------------------------------------------------
"<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
- " 14:O,13:/*Et,{1,9}://O, ",
+ " 14:O,13:/*Et,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!,##, ",
@@ -2725,10 +2726,10 @@
beginfigm
_"Erythromycin" MW:="733.93";
#(60mm,30mm) @(1,0.5)
- ''(
+ '`(
%-----------------------------------------------------------------------
"<30,#1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,##,&1, ",
- " 14:O,13:/*Et,{1,9}://O, ",
+ " 14:O,13:/*Et,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!,##, ",
@@ -2748,12 +2749,12 @@
\begin{verbatim}
beginfigm
% "EN:Paclitaxel","MW:853.918",
- ''(
+ '`(
%------------------------------------------------------------------
"?6,5=dl, at 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! ")
+ " @7,\*,O,-45,//O,60,Ph,{11>rl,12'^-15>lr}:*/O!'?O! ")
%------------------------------------------------------------------
#(140mm,30mm)
if \*(mc)=0:
@@ -2769,12 +2770,12 @@
\begin{mplibcode}
beginfigm
% "EN:Paclitaxel","MW:853.918",
- ''(
+ '`(
%-------------------------------------------------------------------
"?6,5=dl, at 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! ")
+ " @7,\*,O,-45,//O,60,Ph,{11>rl,12'^-15>lr}:*/O!'?O! ")
%-------------------------------------------------------------------
#(160mm,40mm)
if \*(mc)=0: @(0, 0.5)\(scantokens(mc))
@@ -2814,11 +2815,11 @@
row[1][1]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
row[1][2]=":"
-row[1][3]="<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH"
+row[1][3]="<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,2'6'14'15:/OH"
row[1][4]=";"
row[2][1]="CAT:biological;EN:Lycorine;MW:287.315;EXA:1"
row[2][2]=":"
-row[2][3]="<30,Ph,{-4,-2}=?6,{6,9--12}=?5,13=dl,8:N,{15,17}:O,"
+row[2][3]="<30,Ph,-4'-2=?6,{6,9--12}=?5,13=dl,8:N,15'17:O,"
row[2][4]="{9'^180,10^60}:*/H,{13,14'}:*/OH"
row[2][5]=";"
row[3][1]="CAT:biological;EN:Morphine;MW:285.343;EXA:1"
@@ -2828,7 +2829,7 @@
row[3][5]=";"
row[4][1]="CAT:biological;EN:Piperine;MW:285.343;EXA:1"
row[4][2]=":"
-row[4][3]="<30,Ph,-1=?5,{-1,-3}:O, at 4,\,!d,!,!d,!,//O,!,?6,-6:N"
+row[4][3]="<30,Ph,-1=?5,-1'-3:O, at 4,\,!d,!,!d,!,//O,!,?6,-6:N"
row[4][4]=";"
\end{verbatim}
%------------------------------------------------------------------------------
@@ -2839,7 +2840,7 @@
row[1][1]="%------------------------------------------------------------------"
row[1][2]="CAT:biological;EN:Luteolin;MW:286.24;EXA:-"
row[1][3]=":"
-row[1][4]="<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,{2,6,14,15}:/OH"
+row[1][4]="<30,Ph,3=?6,9=dl,10:O,7://O, at 9,\,Ph,2'6'14'15:/OH"
row[1][5]=";"
** default sw_comment=0
@@ -2890,7 +2891,7 @@
\begin{verbatim}
beginfigm
$("Okadaic acid")
- ''(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
+ '`(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
_"Dinophysistoxin-1" #(90mm,20mm)
MW:="819";
@@ -2907,7 +2908,7 @@
\begin{mplibcode}
beginfigm
$("Okadaic acid")
- ''(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
+ '`(",38:*/_,65=red") %%%% add methyl group (color red) %%%%
sw_output:=Fig+Calc+Mcode; %%%% output temp-mc.aux %%%%
MW:="819";
_"Dinophysistoxin-1" #(90mm,20mm);
@@ -2965,8 +2966,8 @@
beginfigm
#(160mm,75mm) |<(5mm)
%--------------------------------------------------------------------------------
-COOH:='(//O,!,OH);
-HOCO:='(OH,!,//O,);
+COOH:=''(//O,!,OH);
+HOCO:=''(OH,!,//O,);
S_CoA:=`("{S-CoA}");
@(0.33, 1)\(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
@(0.66, 1)\(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
@@ -3032,8 +3033,8 @@
\begin{verbatim}
beginfigm
#(160mm,75mm) |<(5mm)
-COOH:='(//O,!,OH); % define COOH
-HOCO:='(OH,!,//O,); % define HOCO
+COOH:=''(//O,!,OH); % define COOH
+HOCO:=''(OH,!,//O,); % define HOCO
S_CoA:=`("{S-CoA}"); % define S_CoA
@(0.33, 1)\(<30,HOCO,!,//O,!2,COOH) % Oxaloacetate
@(0.66, 1)\(<30,HOCO,!4,COOH, at -4`1,\,COOH,4:/OH^-165) % Citrate
@@ -3101,10 +3102,10 @@
%------------------------------------------------------------------------------
beginfigm
% EN:Cholesterol MW:386.65
- ''( > read Mcode
- "<30,?6,{-4,-2}=?6,-4=?5,7=dl, ", > mc1
+ '`( > read Mcode
+ "<30,?6,-4'-2=?6,-4=?5,7=dl, ", > mc1
"10:/*H^180,11:/*H^-60,17:/*H^-54, ", > mc2
- "{4,12}:*/_^60, ", > mc3
+ "4'12:*/_^60, ", > mc3
"@-1,18,/*_,-60,!3,?! ") > mc4
\\ > put figure
endfigm >
@@ -3150,7 +3151,7 @@
=
sw_frame:=Atom;
:
-<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+<30,?6,3=?5,1'3'5'9=dl,2'6'9:N,5:/NH2,7:NH
*
defaultscale:=.5;
label.bot(decimal(fig_num)&":"&EN,(.5w,0));
@@ -3163,27 +3164,27 @@
%==============================================================================
CAT:biological;EN:Adenine;MW:135.13;EXA:1
:
-<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+<30,?6,3=?5,1'3'5'9=dl,2'6'9:N,5:/NH2,7:NH
;
%------------------------------------------------------------------------------
CAT:biological;EN:Guanine;MW:151.13;EXA:1
:
-<30,?6,3=?5,{1,3,9}=dl,{2,9}:N,{6,7}:NH,5://O,1:/NH2
+<30,?6,3=?5,1'3'9=dl,2'9:N,6'7:NH,5://O,1:/NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Cytosine;MW:111.10;EXA:1
:
-<30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
+<30,?6,4'6=dl,4:N,3://O,2:NH,5:/NH2
;
%------------------------------------------------------------------------------
CAT:biological;EN:Thymine;MW:126.11;EXA:1
:
-<30,?6,3=dl,{2,6}:NH,{1,5}://O,4:/_
+<30,?6,3=dl,2'6:NH,1'5://O,4:/_
;
%------------------------------------------------------------------------------
CAT:biological;EN:Uracil;MW:112.09;EXA:1
:
-<30,?6,6=dl,{3,5}://O,{2,4}:NH
+<30,?6,6=dl,3'5://O,2'4:NH
;
%== Amino acid ================================================================
CAT:biological;EN:Glycine;MW:75.07;EXA:-
@@ -3210,7 +3211,7 @@
sw_output=Mcode %% file name = 'temp-mc.aux'
(result)
-<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+<30,?6,3=?5,1'3'5'9=dl,2'6'9:N,5:/NH2,7:NH
\end{verbatim}
\paragraph{(Output library file)}
@@ -3220,7 +3221,7 @@
(result)
CAT:biological;EN:Adenine;MW:135.13;EXA:1
:
-<30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+<30,?6,3=?5,1'3'5'9=dl,2'6'9:N,5:/NH2,7:NH
;
\end{verbatim}
@@ -3247,7 +3248,7 @@
<30,?6, at 4,?6, at -4,\,!3,<-12,?5, at -3,<-12,?6,-3=?6, at -3,*\,!3,
?6, at -4,?6, at 6,\,!,/*Me^-40,*/OH^20,!,//O,!1,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:/Me,{12,31}:*/_,27://_,37:/*_,28:/OH,{3,29}:/*OH
+ 32:*/H^60,10:/Me,12'31:*/_,27://_,37:/*_,28:/OH,3'29:/*OH
\end{verbatim}
%------------------------------------------------------------------------
\newpage
@@ -3268,7 +3269,7 @@
===========================================================================
No[5],Name<Cytosine>,Category<biological>,File<main_lib.mcf>
---------------------------------------------------------------------------
-<30,?6,{4,6}=db,4:N,3://O,2:NH,5:/NH2
+<30,?6,4'6=db,4:N,3://O,2:NH,5:/NH2
---------------------------------------------------------------------------
Row[1],Length[37],Block[7],Code pair[59],Warning[0]
---------------------------------------------------------------------------
@@ -3396,14 +3397,14 @@
MW="470.51";
beginfigm
#(50mm,50mm)
- ''(
+ '`(
%---------------------------------------
- "<30,?6,{-3,-4}=?6, ",
+ "<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, ",
+ " 13'15'17'20:O,3'12'21://O, ",
" {4~wf^60,8~zf^60,18^35,18^-35}:/_, ",
" {1^60,5^180,16^60}:/*H, ",
- " @14,\*,|,?5,{1,4}=dl,3:O ")
+ " @14,\*,|,?5,1'4=dl,3:O ")
%---------------------------------------
\\
endfigm
@@ -3414,11 +3415,11 @@
MW:="536.87";
beginfigm
#(80mm,50mm)
- ''(
+ '`(
%-----------------------------------------
"<30,?6,3=dl,{3,5^35,5^-35}:/_, ",
" @4,\,|,!18,{1,3,5,7,9,11,13,15,17}=dr,",
- " {3,7,12,16}:/_, ",
+ " 3'7'12'16:/_, ",
" |,?6,6=dl,{6,2^35,2^-35}:/_ ")
%-----------------------------------------
\\
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_lib.mcf 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,7 +1,7 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf template file mcf_template.mcf by Akira Yamaji 2024.01.25
+% mcf template file mcf_template.mcf by Akira Yamaji 2024.11.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% must use version 5.12
+% must use version 5.13
% tag1:var1;tag2:var2;tag3:var3 .....
% first character of line "%" comment out
% first character of line ":" start MCF
Modified: trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp
===================================================================
--- trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2024-11-11 13:34:37 UTC (rev 72815)
+++ trunk/Master/texmf-dist/doc/metapost/mcf2graph/template_soc.mp 2024-11-11 16:52:32 UTC (rev 72816)
@@ -1,8 +1,8 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% MCF compile template file by Akira Yamaji 2024.01.25
+% MCF compile template file by Akira Yamaji 2024.11.10
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.12
-message "* mcf_template 2024.01.25";
+if unknown mcftograph: input mcf2graph; fi %%% it must be version 5.13
+message "* mcf_template 2024.11.10";
message "";
%------------------------------------------------------------------------------
%%%%ext(defaultscale:=.3; label.rt(EN,(0,0));)
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